ofs | hex dump | ascii |
---|
0000 | e8 03 00 00 07 5f 69 64 00 56 16 1c 65 2b 72 ed 2b 40 00 00 01 04 77 61 72 6e 69 6e 67 73 00 05 | ....._id.V..e+r.+@....warnings.. |
0020 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c8 02 00 00 04 4d 50 32 44 00 bd 02 00 00 | .....fingerprints......MP2D..... |
0040 | 02 30 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 02 31 00 1c 00 00 00 32 3b 31 | .0.....9;1-1-2;2-2-1;..1.....2;1 |
0060 | 2d 32 2d 31 3b 31 2d 31 2d 39 3b 32 2d 34 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 32 00 29 00 00 00 | -2-1;1-1-9;2-4-1;2-2-15;..2.)... |
0080 | 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 35 2d 31 3b 32 2d 31 2d 39 | 1;1-2-1;1-1-2;1-1-15;2-5-1;2-1-9 |
00a0 | 3b 32 2d 32 2d 31 35 3b 00 02 33 00 16 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 | ;2-2-15;..3.....15;1-1-1;2-2-1;2 |
00c0 | 2d 31 2d 32 3b 00 02 34 00 23 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 35 2d | -1-2;..4.#...1;1-3-1;1-1-15;2-5- |
00e0 | 31 3b 32 2d 31 2d 32 3b 32 2d 33 2d 31 35 3b 00 02 35 00 23 00 00 00 31 3b 31 2d 33 2d 31 3b 31 | 1;2-1-2;2-3-15;..5.#...1;1-3-1;1 |
0100 | 2d 31 2d 31 35 3b 32 2d 35 2d 31 3b 32 2d 31 2d 32 3b 32 2d 33 2d 31 35 3b 00 02 36 00 29 00 00 | -1-15;2-5-1;2-1-2;2-3-15;..6.).. |
0120 | 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 35 2d 31 3b 32 2d 31 2d | .1;1-2-1;1-1-2;1-1-15;2-5-1;2-1- |
0140 | 39 3b 32 2d 32 2d 31 35 3b 00 02 37 00 16 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b | 9;2-2-15;..7.....15;1-1-1;2-2-1; |
0160 | 32 2d 31 2d 32 3b 00 02 38 00 23 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 35 | 2-1-2;..8.#...1;1-3-1;1-1-15;2-5 |
0180 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 33 2d 31 35 3b 00 02 39 00 23 00 00 00 31 3b 31 2d 33 2d 31 3b | -1;2-1-2;2-3-15;..9.#...1;1-3-1; |
01a0 | 31 2d 31 2d 31 35 3b 32 2d 35 2d 31 3b 32 2d 31 2d 32 3b 32 2d 33 2d 31 35 3b 00 02 31 30 00 1d | 1-1-15;2-5-1;2-1-2;2-3-15;..10.. |
01c0 | 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 35 2d 31 3b 32 2d 34 2d 31 35 3b 00 | ...1;1-3-1;1-1-15;2-5-1;2-4-15;. |
01e0 | 02 31 31 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 32 00 1d 00 00 00 | .11.....15;1-1-1;2-3-1;..12..... |
0200 | 31 3b 31 2d 32 2d 31 3b 31 2d 32 2d 31 35 3b 32 2d 34 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 31 33 | 1;1-2-1;1-2-15;2-4-1;2-2-15;..13 |
0220 | 00 1d 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 35 2d 31 3b 32 2d 34 2d 31 35 | .....1;1-3-1;1-1-15;2-5-1;2-4-15 |
0240 | 3b 00 02 31 34 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 35 00 17 00 | ;..14.....15;1-1-1;2-3-1;..15... |
0260 | 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 31 36 00 17 00 00 | ..15;1-1-1;2-2-1;2-1-15;..16.... |
0280 | 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 31 37 00 10 00 00 00 | .15;1-1-1;2-2-1;2-1-15;..17..... |
02a0 | 31 35 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 38 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 | 15;1-1-1;2-3-1;..18.....15;1-1-1 |
02c0 | 3b 32 2d 33 2d 31 3b 00 02 31 39 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 | ;2-3-1;..19.....15;1-1-1;2-3-1;. |
02e0 | 02 32 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 00 00 02 73 6d 69 6c 65 | .20.....15;1-1-1;2-3-1;....smile |
0300 | 73 00 3d 00 00 00 4f 3d 43 31 43 32 28 43 6c 29 43 33 28 43 34 28 43 31 28 43 6c 29 43 31 28 43 | s.=...O=C1C2(Cl)C3(C4(C1(Cl)C1(C |
0320 | 32 28 43 33 28 43 6c 29 43 28 43 34 31 43 6c 29 28 43 6c 29 43 6c 29 43 6c 29 43 6c 29 43 6c 29 | 2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl) |
0340 | 43 6c 00 02 69 6e 63 68 69 00 53 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 43 6c 31 30 4f 2f | Cl..inchi.S...InChI=1S/C10Cl10O/ |
0360 | 63 31 31 2d 32 2d 31 28 32 31 29 33 28 31 32 29 36 28 31 35 29 34 28 32 2c 31 33 29 38 28 31 37 | c11-2-1(21)3(12)6(15)4(2,13)8(17 |
0380 | 29 35 28 32 2c 31 34 29 37 28 33 2c 31 36 29 39 28 36 2c 31 38 29 31 30 28 38 2c 31 39 29 32 30 | )5(2,14)7(3,16)9(6,18)10(8,19)20 |
03a0 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 66 ed 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.f.^FP....created_at |
03c0 | 00 63 ed 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | .c.^FP....default_fingerprint_si |
03e0 | 7a 65 00 00 00 00 00 00 da 03 00 00 07 5f 69 64 00 56 16 1c 65 2b 72 ed 2b 40 00 00 02 04 77 61 | ze..........._id.V..e+r.+@....wa |
0400 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b4 02 00 00 04 4d | rnings.......fingerprints......M |
0420 | 50 32 44 00 a9 02 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 | P2D......0.....15;1-1-1;2-3-1;.. |
0440 | 31 00 1d 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 35 2d 31 3b 32 2d 34 2d 31 | 1.....1;1-3-1;1-1-15;2-5-1;2-4-1 |
0460 | 35 3b 00 02 32 00 1d 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 32 2d 31 35 3b 32 2d 34 2d 31 3b 32 | 5;..2.....1;1-2-1;1-2-15;2-4-1;2 |
0480 | 2d 32 2d 31 35 3b 00 02 33 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 | -2-15;..3.....15;1-1-1;2-2-1;2-1 |
04a0 | 2d 31 35 3b 00 02 34 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 | -15;..4.....15;1-1-1;2-2-1;2-1-1 |
04c0 | 35 3b 00 02 35 00 1d 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 35 2d 31 3b 32 | 5;..5.....1;1-3-1;1-1-15;2-5-1;2 |
04e0 | 2d 34 2d 31 35 3b 00 02 36 00 1d 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 36 | -4-15;..6.....1;1-3-1;1-1-15;2-6 |
0500 | 2d 31 3b 32 2d 33 2d 31 35 3b 00 02 37 00 1d 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 31 35 | -1;2-3-15;..7.....1;1-3-1;1-1-15 |
0520 | 3b 32 2d 36 2d 31 3b 32 2d 33 2d 31 35 3b 00 02 38 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 | ;2-6-1;2-3-15;..8.....15;1-1-1;2 |
0540 | 2d 33 2d 31 3b 00 02 39 00 1d 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 35 2d | -3-1;..9.....1;1-3-1;1-1-15;2-5- |
0560 | 31 3b 32 2d 34 2d 31 35 3b 00 02 31 30 00 1d 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 31 35 | 1;2-4-15;..10.....1;1-3-1;1-1-15 |
0580 | 3b 32 2d 36 2d 31 3b 32 2d 33 2d 31 35 3b 00 02 31 31 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b | ;2-6-1;2-3-15;..11.....15;1-1-1; |
05a0 | 32 2d 33 2d 31 3b 00 02 31 32 00 1d 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d | 2-3-1;..12.....1;1-3-1;1-1-15;2- |
05c0 | 36 2d 31 3b 32 2d 33 2d 31 35 3b 00 02 31 33 00 1d 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d | 6-1;2-3-15;..13.....1;1-3-1;1-1- |
05e0 | 31 35 3b 32 2d 35 2d 31 3b 32 2d 34 2d 31 35 3b 00 02 31 34 00 1d 00 00 00 31 3b 31 2d 32 2d 31 | 15;2-5-1;2-4-15;..14.....1;1-2-1 |
0600 | 3b 31 2d 32 2d 31 35 3b 32 2d 34 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 31 35 00 17 00 00 00 31 35 | ;1-2-15;2-4-1;2-2-15;..15.....15 |
0620 | 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 31 36 00 17 00 00 00 31 35 3b | ;1-1-1;2-2-1;2-1-15;..16.....15; |
0640 | 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 31 37 00 10 00 00 00 31 35 3b 31 | 1-1-1;2-2-1;2-1-15;..17.....15;1 |
0660 | 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 38 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 33 | -1-1;2-3-1;..18.....15;1-1-1;2-3 |
0680 | 2d 31 3b 00 02 31 39 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 32 30 00 | -1;..19.....15;1-1-1;2-3-1;..20. |
06a0 | 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 32 31 00 10 00 00 00 31 35 3b 31 | ....15;1-1-1;2-3-1;..21.....15;1 |
06c0 | 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 41 00 00 00 43 6c 43 31 32 43 | -1-1;2-3-1;....smiles.A...ClC12C |
06e0 | 28 43 6c 29 28 43 6c 29 43 33 28 43 34 28 43 31 28 43 6c 29 43 31 28 43 32 28 43 6c 29 43 33 28 | (Cl)(Cl)C3(C4(C1(Cl)C1(C2(Cl)C3( |
0700 | 43 34 28 43 31 28 43 6c 29 43 6c 29 43 6c 29 43 6c 29 43 6c 29 43 6c 29 43 6c 00 02 69 6e 63 68 | C4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl..inch |
0720 | 69 00 55 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 43 6c 31 32 2f 63 31 31 2d 31 2d 32 28 31 | i.U...InChI=1S/C10Cl12/c11-1-2(1 |
0740 | 32 29 37 28 31 37 29 34 28 31 34 29 33 28 31 33 2c 35 28 31 2c 31 35 29 39 28 37 2c 31 39 29 32 | 2)7(17)4(14)3(13,5(1,15)9(7,19)2 |
0760 | 30 29 36 28 31 2c 31 36 29 31 30 28 32 31 2c 32 32 29 38 28 32 2c 34 29 31 38 00 09 75 70 64 61 | 0)6(1,16)10(21,22)8(2,4)18..upda |
0780 | 74 65 64 5f 61 74 00 6e ed 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 6c ed 5e 46 50 | ted_at.n.^FP....created_at.l.^FP |
07a0 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
07c0 | 00 00 27 02 00 00 07 5f 69 64 00 56 16 1c 65 2b 72 ed 2b 40 00 00 03 04 77 61 72 6e 69 6e 67 73 | ..'...._id.V..e+r.+@....warnings |
07e0 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 46 01 00 00 04 4d 50 32 44 00 3b 01 | .......fingerprints.F....MP2D.;. |
0800 | 00 00 02 30 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 | ...0.....19;1-1-3;2-2-3;..1..... |
0820 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 33 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 | 3;1-2-3;1-1-19;2-3-3;..2.....3;1 |
0840 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d 32 2d | -2-3;2-2-3;2-1-19;..3.....3;1-2- |
0860 | 33 3b 32 2d 32 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 | 3;2-2-3;..4.....3;1-2-3;2-3-3;.. |
0880 | 35 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 36 00 16 | 5.....3;1-3-3;2-4-3;2-1-19;..6.. |
08a0 | 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 0f 00 00 00 | ...3;1-3-3;2-4-3;2-1-19;..7..... |
08c0 | 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 3;1-2-3;2-3-3;..8.....3;1-2-3;2- |
08e0 | 32 2d 33 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 | 2-3;..9.....3;1-2-3;2-2-3;2-1-19 |
0900 | 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 33 2d 33 3b 00 | ;..10.....3;1-2-3;1-1-19;2-3-3;. |
0920 | 02 31 31 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 | .11.....19;1-1-3;2-2-3;....smile |
0940 | 73 00 11 00 00 00 4e 63 31 63 63 63 63 32 63 31 63 63 63 63 32 4e 00 02 69 6e 63 68 69 00 40 00 | s.....Nc1cccc2c1cccc2N..inchi.@. |
0960 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 30 4e 32 2f 63 31 31 2d 39 2d 35 2d 31 2d 33 2d | ..InChI=1S/C10H10N2/c11-9-5-1-3- |
0980 | 37 2d 38 28 39 29 34 2d 32 2d 36 2d 31 30 28 37 29 31 32 2f 68 31 2d 36 48 2c 31 31 2d 31 32 48 | 7-8(9)4-2-6-10(7)12/h1-6H,11-12H |
09a0 | 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 75 ed 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | 2..updated_at.u.^FP....created_a |
09c0 | 74 00 73 ed 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t.s.^FP....default_fingerprint_s |
09e0 | 69 7a 65 00 00 00 00 00 00 93 03 00 00 07 5f 69 64 00 56 16 1c 65 2b 72 ed 2b 40 00 00 04 04 77 | ize..........._id.V..e+r.+@....w |
0a00 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 83 02 00 00 04 | arnings.......fingerprints...... |
0a20 | 4d 50 32 44 00 78 02 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d | MP2D.x....0.....1;1-1-2;2-1-1;2- |
0a40 | 31 2d 36 3b 00 02 31 00 16 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 | 1-6;..1.....2;1-2-1;1-1-6;2-1-19 |
0a60 | 3b 00 02 32 00 1c 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d | ;..2.....6;1-1-2;1-1-19;2-2-1;2- |
0a80 | 31 2d 33 3b 00 02 33 00 24 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 | 1-3;..3.$...19;1-1-3;1-1-6;2-1-2 |
0aa0 | 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 34 00 24 00 00 00 33 3b 31 2d 31 2d 31 31 3b | ;2-1-11;2-1-18;..4.$...3;1-1-11; |
0ac0 | 31 2d 31 2d 31 38 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 35 00 1e 00 | 1-1-18;1-1-19;2-2-3;2-1-6;..5... |
0ae0 | 00 00 31 38 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 | ..18;1-2-3;2-1-3;2-1-11;2-1-19;. |
0b00 | 02 36 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d | .6.....3;1-1-3;1-1-18;2-2-3;2-1- |
0b20 | 31 31 3b 00 02 37 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b | 11;..7.#...3;1-2-3;1-1-11;2-2-3; |
0b40 | 32 2d 31 2d 39 3b 32 2d 31 2d 31 38 3b 00 02 38 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d | 2-1-9;2-1-18;..8.....11;1-2-3;2- |
0b60 | 32 2d 33 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 31 39 3b 00 02 39 00 1c 00 00 00 33 3b 31 2d 32 2d | 2-3;2-1-18;2-1-19;..9.....3;1-2- |
0b80 | 33 3b 31 2d 31 2d 39 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 15 00 00 00 33 3b | 3;1-1-9;2-3-3;2-1-11;..10.....3; |
0ba0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 31 00 1c 00 00 00 33 3b 31 2d 32 | 1-2-3;2-2-3;2-1-9;..11.....3;1-2 |
0bc0 | 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 32 00 22 00 00 00 33 | -3;2-1-3;2-1-9;2-1-19;..12."...3 |
0be0 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b | ;1-1-3;1-1-9;1-1-19;2-2-3;2-2-9; |
0c00 | 00 02 31 33 00 16 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 | ..13.....9;1-2-3;2-3-3;2-1-19;.. |
0c20 | 31 34 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d | 14.....19;1-1-3;1-2-9;2-1-3;2-1- |
0c40 | 39 3b 00 02 31 35 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b | 9;..15.....9;1-1-19;2-1-3;2-1-9; |
0c60 | 00 02 31 36 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 | ..16.....9;1-1-19;2-1-3;2-1-9;.. |
0c80 | 31 37 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 00 00 02 73 | 17.....1;1-1-2;2-1-1;2-1-6;....s |
0ca0 | 6d 69 6c 65 73 00 22 00 00 00 43 43 28 3d 4e 4e 63 31 73 63 63 28 6e 31 29 63 31 63 63 63 28 6f | miles."...CC(=NNc1scc(n1)c1ccc(o |
0cc0 | 31 29 4e 28 3d 4f 29 3d 4f 29 43 00 02 69 6e 63 68 69 00 5e 00 00 00 49 6e 43 68 49 3d 31 53 2f | 1)N(=O)=O)C..inchi.^...InChI=1S/ |
0ce0 | 43 31 30 48 31 30 4e 34 4f 33 53 2f 63 31 2d 36 28 32 29 31 32 2d 31 33 2d 31 30 2d 31 31 2d 37 | C10H10N4O3S/c1-6(2)12-13-10-11-7 |
0d00 | 28 35 2d 31 38 2d 31 30 29 38 2d 33 2d 34 2d 39 28 31 37 2d 38 29 31 34 28 31 35 29 31 36 2f 68 | (5-18-10)8-3-4-9(17-8)14(15)16/h |
0d20 | 33 2d 35 48 2c 31 2d 32 48 33 2c 28 48 2c 31 31 2c 31 33 29 00 09 75 70 64 61 74 65 64 5f 61 74 | 3-5H,1-2H3,(H,11,13)..updated_at |
0d40 | 00 7c ed 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 7b ed 5e 46 50 01 00 00 10 64 65 | .|.^FP....created_at.{.^FP....de |
0d60 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 72 02 00 00 | fault_fingerprint_size......r... |
0d80 | 07 5f 69 64 00 56 16 1c 65 2b 72 ed 2b 40 00 00 05 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V..e+r.+@....warnings...... |
0da0 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 8c 01 00 00 04 4d 50 32 44 00 81 01 00 00 02 30 00 0f | .fingerprints......MP2D......0.. |
0dc0 | 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 00 02 31 00 15 00 00 00 32 3b 31 2d 31 2d 31 | ...2;1-1-2;2-1-1;..1.....2;1-1-1 |
0de0 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 | ;1-1-2;2-1-3;..2.....1;1-1-2;1-1 |
0e00 | 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 33 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 | -3;2-1-2;2-2-3;..3.....3;1-1-1;1 |
0e20 | 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 | -2-3;2-1-2;2-2-3;..4.....3;1-2-3 |
0e40 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | ;2-1-1;2-2-3;..5.....3;1-2-3;2-2 |
0e60 | 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 | -3;2-1-8;..6.!...3;1-2-3;1-1-8;2 |
0e80 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 21 00 00 00 33 3b 31 2d 32 2d 33 | -1-1;2-2-3;2-1-8;..7.!...3;1-2-3 |
0ea0 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 1b 00 00 | ;1-1-8;2-1-1;2-2-3;2-1-8;..8.... |
0ec0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 1b | .3;1-2-3;2-1-1;2-2-3;2-1-8;..9.. |
0ee0 | 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 | ...8;1-1-1;1-1-3;2-2-3;2-1-8;..1 |
0f00 | 30 00 0f 00 00 00 31 3b 31 2d 32 2d 38 3b 32 2d 32 2d 33 3b 00 02 31 31 00 1b 00 00 00 38 3b 31 | 0.....1;1-2-8;2-2-3;..11.....8;1 |
0f20 | 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 | -1-1;1-1-3;2-2-3;2-1-8;....smile |
0f40 | 73 00 14 00 00 00 43 3d 43 43 63 31 63 63 63 32 63 28 63 31 29 4f 43 4f 32 00 02 69 6e 63 68 69 | s.....C=CCc1ccc2c(c1)OCO2..inchi |
0f60 | 00 42 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 30 4f 32 2f 63 31 2d 32 2d 33 2d 38 2d | .B...InChI=1S/C10H10O2/c1-2-3-8- |
0f80 | 34 2d 35 2d 39 2d 31 30 28 36 2d 38 29 31 32 2d 37 2d 31 31 2d 39 2f 68 32 2c 34 2d 36 48 2c 31 | 4-5-9-10(6-8)12-7-11-9/h2,4-6H,1 |
0fa0 | 2c 33 2c 37 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 83 ed 5e 46 50 01 00 00 09 63 72 65 61 | ,3,7H2..updated_at...^FP....crea |
0fc0 | 74 65 64 5f 61 74 00 82 ed 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at...^FP....default_fingerpr |
0fe0 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 a8 02 00 00 07 5f 69 64 00 56 16 1c 65 2b 72 ed 2b 40 | int_size..........._id.V..e+r.+@ |
1000 | 00 00 06 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 | ....warnings.......fingerprints. |
1020 | bb 01 00 00 04 4d 50 32 44 00 b0 01 00 00 02 30 00 0f 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 | .....MP2D......0.....2;1-1-2;2-1 |
1040 | 2d 31 3b 00 02 31 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 | -1;..1.....2;1-1-1;1-1-2;2-1-3;2 |
1060 | 2d 31 2d 38 3b 00 02 32 00 21 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 | -1-8;..2.!...1;1-1-2;1-1-3;1-1-8 |
1080 | 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 33 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 | ;2-1-2;2-2-3;..3.!...3;1-1-1;1-2 |
10a0 | 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 15 00 00 00 33 3b 31 | -3;2-1-2;2-2-3;2-1-8;..4.....3;1 |
10c0 | 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 | -2-3;2-1-1;2-2-3;..5.....3;1-2-3 |
10e0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | ;2-2-3;2-1-8;..6.!...3;1-2-3;1-1 |
1100 | 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 21 00 00 00 33 3b 31 | -8;2-1-1;2-2-3;2-1-8;..7.!...3;1 |
1120 | 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 | -2-3;1-1-8;2-1-1;2-2-3;2-1-8;..8 |
1140 | 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 | .....3;1-2-3;2-1-1;2-2-3;2-1-8;. |
1160 | 02 39 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 | .9.....8;1-1-1;1-1-3;2-2-3;2-1-8 |
1180 | 3b 00 02 31 30 00 0f 00 00 00 31 3b 31 2d 32 2d 38 3b 32 2d 32 2d 33 3b 00 02 31 31 00 1b 00 00 | ;..10.....1;1-2-8;2-2-3;..11.... |
11a0 | 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 32 00 | .8;1-1-1;1-1-3;2-2-3;2-1-8;..12. |
11c0 | 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 6c | ....8;1-1-1;2-1-2;2-1-3;....smil |
11e0 | 65 73 00 17 00 00 00 43 3d 43 43 28 63 31 63 63 63 32 63 28 63 31 29 4f 43 4f 32 29 4f 00 02 69 | es.....C=CC(c1ccc2c(c1)OCO2)O..i |
1200 | 6e 63 68 69 00 46 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 30 4f 33 2f 63 31 2d 32 2d | nchi.F...InChI=1S/C10H10O3/c1-2- |
1220 | 38 28 31 31 29 37 2d 33 2d 34 2d 39 2d 31 30 28 35 2d 37 29 31 33 2d 36 2d 31 32 2d 39 2f 68 32 | 8(11)7-3-4-9-10(5-7)13-6-12-9/h2 |
1240 | 2d 35 2c 38 2c 31 31 48 2c 31 2c 36 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 8a ed 5e 46 50 | -5,8,11H,1,6H2..updated_at...^FP |
1260 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 88 ed 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at...^FP....default_ |
1280 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 d8 03 00 00 07 5f 69 64 00 56 | fingerprint_size..........._id.V |
12a0 | 16 1c 65 2b 72 ed 2b 40 00 00 07 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..e+r.+@....warnings.......finge |
12c0 | 72 70 72 69 6e 74 73 00 cb 02 00 00 04 4d 50 32 44 00 c0 02 00 00 02 30 00 0f 00 00 00 38 3b 31 | rprints......MP2D......0.....8;1 |
12e0 | 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 | -1-1;2-1-1;..1.....1;1-1-1;1-1-8 |
1300 | 3b 32 2d 31 2d 32 38 3b 00 02 32 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 | ;2-1-28;..2."...1;1-1-1;1-1-28;2 |
1320 | 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 33 00 23 00 00 00 32 38 3b 31 2d 32 2d | -1-1;2-1-2;2-1-8;..3.#...28;1-2- |
1340 | 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 34 00 23 | 1;1-1-2;2-2-1;2-1-9;2-1-28;..4.# |
1360 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d | ...1;1-1-1;1-1-28;2-1-1;2-1-2;2- |
1380 | 31 2d 32 38 3b 00 02 35 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d | 1-28;..5.#...1;1-1-1;1-1-28;2-1- |
13a0 | 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 32 38 3b 00 02 36 00 2f 00 00 00 32 38 3b 31 2d 31 2d 31 3b | 2;2-1-6;2-1-28;..6./...28;1-1-1; |
13c0 | 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d | 1-1-2;1-1-6;2-1-1;2-1-2;2-1-9;2- |
13e0 | 31 2d 32 38 3b 00 02 37 00 1c 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 32 2d 32 38 3b 32 2d 33 2d | 1-28;..7.....2;1-1-9;1-2-28;2-3- |
1400 | 31 3b 32 2d 31 2d 36 3b 00 02 38 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 | 1;2-1-6;..8.....9;1-1-2;2-2-28;. |
1420 | 02 39 00 22 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d | .9."...6;1-1-2;1-1-28;2-1-1;2-1- |
1440 | 32 3b 32 2d 31 2d 33 3b 00 02 31 30 00 22 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 | 2;2-1-3;..10."...2;1-1-3;1-1-6;2 |
1460 | 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 31 00 21 00 00 00 33 3b 31 2d 31 | -1-3;2-1-9;2-1-28;..11.!...3;1-1 |
1480 | 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 32 00 | -2;1-1-3;1-1-9;2-2-3;2-1-6;..12. |
14a0 | 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 | ....3;1-2-3;2-1-2;2-1-3;2-1-9;.. |
14c0 | 31 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 | 13.....3;1-2-3;2-1-3;2-1-9;2-1-1 |
14e0 | 39 3b 00 02 31 34 00 22 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b | 9;..14."...3;1-1-3;1-1-9;1-1-19; |
1500 | 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 35 00 1c 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 31 | 2-2-3;2-2-9;..15.....9;1-2-3;2-1 |
1520 | 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 36 00 1c 00 00 00 31 39 3b 31 2d 31 2d | -2;2-2-3;2-1-19;..16.....19;1-1- |
1540 | 33 3b 31 2d 32 2d 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 37 00 16 00 00 00 39 3b 31 | 3;1-2-9;2-1-3;2-1-9;..17.....9;1 |
1560 | 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 38 00 16 00 00 00 39 3b 31 2d 31 | -1-19;2-1-3;2-1-9;..18.....9;1-1 |
1580 | 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 22 00 00 00 4f | -19;2-1-3;2-1-9;....smiles."...O |
15a0 | 43 43 4e 31 43 43 4e 28 43 31 3d 4f 29 4e 3d 43 63 31 63 63 63 28 6f 31 29 4e 28 3d 4f 29 3d 4f | CCN1CCN(C1=O)N=Cc1ccc(o1)N(=O)=O |
15c0 | 00 02 69 6e 63 68 69 00 5b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 32 4e 34 4f 35 2f | ..inchi.[...InChI=1S/C10H12N4O5/ |
15e0 | 63 31 35 2d 36 2d 35 2d 31 32 2d 33 2d 34 2d 31 33 28 31 30 28 31 32 29 31 36 29 31 31 2d 37 2d | c15-6-5-12-3-4-13(10(12)16)11-7- |
1600 | 38 2d 31 2d 32 2d 39 28 31 39 2d 38 29 31 34 28 31 37 29 31 38 2f 68 31 2d 32 2c 37 2c 31 35 48 | 8-1-2-9(19-8)14(17)18/h1-2,7,15H |
1620 | 2c 33 2d 36 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 91 ed 5e 46 50 01 00 00 09 63 72 65 61 | ,3-6H2..updated_at...^FP....crea |
1640 | 74 65 64 5f 61 74 00 8f ed 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at...^FP....default_fingerpr |
1660 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 6d 02 00 00 07 5f 69 64 00 56 16 1c 65 2b 72 ed 2b 40 | int_size......m...._id.V..e+r.+@ |
1680 | 00 00 08 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 | ....warnings.......fingerprints. |
16a0 | 86 01 00 00 04 4d 50 32 44 00 7b 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 | .....MP2D.{....0.....1;1-1-1;2-1 |
16c0 | 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 00 1b 00 00 | -1;..1.....1;1-2-1;2-1-3;..2.... |
16e0 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 1b | .1;1-1-1;1-1-3;2-1-1;2-2-3;..3.. |
1700 | 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 | ...3;1-1-1;1-2-3;2-1-1;2-2-3;..4 |
1720 | 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 15 00 00 | .....3;1-2-3;2-1-1;2-2-3;..5.... |
1740 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 21 00 00 00 33 3b 31 | .3;1-2-3;2-2-3;2-1-8;..6.!...3;1 |
1760 | 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 | -2-3;1-1-8;2-1-1;2-2-3;2-1-8;..7 |
1780 | 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 | .!...3;1-2-3;1-1-8;2-1-1;2-2-3;2 |
17a0 | 2d 31 2d 38 3b 00 02 38 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | -1-8;..8.....3;1-2-3;2-1-1;2-2-3 |
17c0 | 3b 32 2d 31 2d 38 3b 00 02 39 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 | ;2-1-8;..9.....8;1-1-1;1-1-3;2-2 |
17e0 | 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 30 00 0f 00 00 00 31 3b 31 2d 32 2d 38 3b 32 2d 32 2d 33 3b | -3;2-1-8;..10.....1;1-2-8;2-2-3; |
1800 | 00 02 31 31 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | ..11.....8;1-1-1;1-1-3;2-2-3;2-1 |
1820 | 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 13 00 00 00 43 43 43 63 31 63 63 63 32 63 28 63 31 29 | -8;....smiles.....CCCc1ccc2c(c1) |
1840 | 4f 43 4f 32 00 02 69 6e 63 68 69 00 44 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 32 4f | OCO2..inchi.D...InChI=1S/C10H12O |
1860 | 32 2f 63 31 2d 32 2d 33 2d 38 2d 34 2d 35 2d 39 2d 31 30 28 36 2d 38 29 31 32 2d 37 2d 31 31 2d | 2/c1-2-3-8-4-5-9-10(6-8)12-7-11- |
1880 | 39 2f 68 34 2d 36 48 2c 32 2d 33 2c 37 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 | 9/h4-6H,2-3,7H2,1H3..updated_at. |
18a0 | 97 ed 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 95 ed 5e 46 50 01 00 00 10 64 65 66 | ..^FP....created_at...^FP....def |
18c0 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 ce 02 00 00 07 | ault_fingerprint_size........... |
18e0 | 5f 69 64 00 56 16 1c 65 2b 72 ed 2b 40 00 00 09 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..e+r.+@....warnings....... |
1900 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 d9 01 00 00 04 4d 50 32 44 00 ce 01 00 00 02 30 00 10 00 | fingerprints......MP2D......0... |
1920 | 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 00 16 00 00 00 36 3b 31 2d 31 2d 39 | ..9;1-1-6;2-1-19;..1.....6;1-1-9 |
1940 | 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 32 00 22 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 | ;1-1-19;2-2-1;..2."...19;1-2-1;1 |
1960 | 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 1c 00 00 00 31 | -1-6;2-2-1;2-1-3;2-1-9;..3.....1 |
1980 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 34 00 16 00 | ;1-1-1;1-1-19;2-2-1;2-1-6;..4... |
19a0 | 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 35 00 0f 00 00 00 31 | ..1;1-2-1;2-1-1;2-1-19;..5.....1 |
19c0 | 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 36 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 | ;1-2-1;2-2-1;..6.....1;1-2-1;2-1 |
19e0 | 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 28 00 00 00 31 3b 31 2d 31 2d 31 3b | -1;2-1-3;2-1-19;..7.(...1;1-1-1; |
1a00 | 31 2d 31 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 | 1-1-3;1-1-19;2-2-1;2-2-3;2-1-6;. |
1a20 | 02 38 00 29 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 | .8.)...3;1-1-1;1-2-3;2-1-1;2-1-3 |
1a40 | 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | ;2-1-11;2-1-19;..9.....3;1-2-3;2 |
1a60 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | -1-1;2-2-3;..10.....3;1-2-3;2-1- |
1a80 | 33 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 | 3;2-1-11;..11.....3;1-1-3;1-1-11 |
1aa0 | 3b 32 2d 32 2d 33 3b 00 02 31 32 00 10 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | ;2-2-3;..12.....11;1-2-3;2-2-3;. |
1ac0 | 02 31 33 00 1c 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 | .13.....3;1-1-3;1-1-11;2-1-1;2-2 |
1ae0 | 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 14 00 00 00 4f 3d 4e 4e 31 43 43 43 43 43 31 63 31 63 | -3;....smiles.....O=NN1CCCCC1c1c |
1b00 | 63 63 6e 63 31 00 02 69 6e 63 68 69 00 51 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 33 | ccnc1..inchi.Q...InChI=1S/C10H13 |
1b20 | 4e 33 4f 2f 63 31 34 2d 31 32 2d 31 33 2d 37 2d 32 2d 31 2d 35 2d 31 30 28 31 33 29 39 2d 34 2d | N3O/c14-12-13-7-2-1-5-10(13)9-4- |
1b40 | 33 2d 36 2d 31 31 2d 38 2d 39 2f 68 33 2d 34 2c 36 2c 38 2c 31 30 48 2c 31 2d 32 2c 35 2c 37 48 | 3-6-11-8-9/h3-4,6,8,10H,1-2,5,7H |
1b60 | 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 9d ed 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | 2..updated_at...^FP....created_a |
1b80 | 74 00 9c ed 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t...^FP....default_fingerprint_s |
1ba0 | 69 7a 65 00 00 00 00 00 00 ed 02 00 00 07 5f 69 64 00 56 16 1c 65 2b 72 ed 2b 40 00 00 0a 04 77 | ize..........._id.V..e+r.+@....w |
1bc0 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 f4 01 00 00 04 | arnings.......fingerprints...... |
1be0 | 4d 50 32 44 00 e9 01 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 | MP2D......0.....9;1-1-6;2-1-19;. |
1c00 | 02 31 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 32 00 | .1.....6;1-1-9;1-1-19;2-2-1;..2. |
1c20 | 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 | ....19;1-2-1;1-1-6;2-1-1;2-1-9;. |
1c40 | 02 33 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d | .3.....1;1-1-1;1-1-19;2-2-1;2-1- |
1c60 | 36 3b 00 02 34 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 39 3b 00 | 6;..4.....1;1-2-1;2-1-2;2-1-19;. |
1c80 | 02 35 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 | .5.!...1;1-1-1;1-1-2;2-1-1;2-1-3 |
1ca0 | 3b 32 2d 31 2d 39 3b 00 02 36 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 | ;2-1-9;..6.!...2;1-1-1;1-1-3;1-1 |
1cc0 | 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 | -9;2-1-1;2-2-3;..7.....9;1-1-2;2 |
1ce0 | 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 38 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 | -1-1;2-1-3;..8.(...3;1-1-2;1-2-3 |
1d00 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 39 00 15 00 | ;2-1-1;2-1-3;2-1-9;2-1-11;..9... |
1d20 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 30 00 16 00 00 00 33 | ..3;1-2-3;2-1-2;2-2-3;..10.....3 |
1d40 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 16 00 00 00 33 3b 31 | ;1-2-3;2-1-3;2-1-11;..11.....3;1 |
1d60 | 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 32 00 10 00 00 00 31 31 3b 31 2d | -1-3;1-1-11;2-2-3;..12.....11;1- |
1d80 | 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 1c 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 | 2-3;2-2-3;..13.....3;1-1-3;1-1-1 |
1da0 | 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 34 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b | 1;2-1-2;2-2-3;..14.....1;1-1-19; |
1dc0 | 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 18 00 00 00 4f 3d 4e 4e 28 | 2-1-1;2-1-6;....smiles.....O=NN( |
1de0 | 43 43 43 43 28 3d 4f 29 63 31 63 63 63 6e 63 31 29 43 00 02 69 6e 63 68 69 00 51 00 00 00 49 6e | CCCC(=O)c1cccnc1)C..inchi.Q...In |
1e00 | 43 68 49 3d 31 53 2f 43 31 30 48 31 33 4e 33 4f 32 2f 63 31 2d 31 33 28 31 32 2d 31 35 29 37 2d | ChI=1S/C10H13N3O2/c1-13(12-15)7- |
1e20 | 33 2d 35 2d 31 30 28 31 34 29 39 2d 34 2d 32 2d 36 2d 31 31 2d 38 2d 39 2f 68 32 2c 34 2c 36 2c | 3-5-10(14)9-4-2-6-11-8-9/h2,4,6, |
1e40 | 38 48 2c 33 2c 35 2c 37 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 a4 ed 5e 46 50 | 8H,3,5,7H2,1H3..updated_at...^FP |
1e60 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a3 ed 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at...^FP....default_ |
1e80 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 f0 03 00 00 07 5f 69 64 00 56 | fingerprint_size..........._id.V |
1ea0 | 16 1c 65 2b 72 ed 2b 40 00 00 0b 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..e+r.+@....warnings.......finge |
1ec0 | 72 70 72 69 6e 74 73 00 ce 02 00 00 04 4d 50 32 44 00 c3 02 00 00 02 30 00 0f 00 00 00 38 3b 31 | rprints......MP2D......0.....8;1 |
1ee0 | 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 | -1-1;2-1-1;..1.....1;1-1-1;1-1-8 |
1f00 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 | ;2-1-1;2-1-8;..2.....1;1-2-1;1-1 |
1f20 | 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 33 00 16 00 00 00 38 3b 31 2d 32 2d 31 3b 32 | -8;2-2-1;2-2-8;..3.....8;1-2-1;2 |
1f40 | 2d 33 2d 31 3b 32 2d 31 2d 31 31 3b 00 02 34 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -3-1;2-1-11;..4."...1;1-1-1;1-1- |
1f60 | 38 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 1c 00 00 00 31 3b 31 | 8;1-1-11;2-2-1;2-2-3;..5.....1;1 |
1f80 | 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 36 00 1b 00 00 00 | -2-1;2-1-1;2-2-8;2-1-11;..6..... |
1fa0 | 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 37 00 0f 00 | 1;1-2-1;1-1-8;2-2-1;2-1-8;..7... |
1fc0 | 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 38 00 29 00 00 00 31 31 3b 31 2d 31 2d 31 | ..8;1-1-1;2-2-1;..8.)...11;1-1-1 |
1fe0 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 31 3b | ;1-2-3;2-1-1;2-1-3;2-1-8;2-2-11; |
2000 | 00 02 39 00 16 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 | ..9.....3;1-2-11;2-1-1;2-2-3;..1 |
2020 | 30 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 31 | 0.....11;1-2-3;2-2-3;2-1-11;..11 |
2040 | 00 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 30 | .$...3;1-2-3;1-1-11;2-1-3;2-1-10 |
2060 | 3b 32 2d 33 2d 31 31 3b 00 02 31 32 00 2a 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 32 2d 31 31 3b | ;2-3-11;..12.*...3;1-1-3;1-2-11; |
2080 | 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 02 31 33 00 24 | 2-1-1;2-3-3;2-1-11;2-1-13;..13.$ |
20a0 | 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 | ...11;1-2-3;1-1-13;2-1-3;2-1-6;2 |
20c0 | 2d 32 2d 31 31 3b 00 02 31 34 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 | -2-11;..14.....13;1-1-11;2-2-3;. |
20e0 | 02 31 35 00 1d 00 00 00 33 3b 31 2d 31 2d 36 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 | .15.....3;1-1-6;1-2-11;2-2-3;2-1 |
2100 | 2d 31 33 3b 00 02 31 36 00 10 00 00 00 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 37 | -13;..16.....6;1-1-3;2-2-11;..17 |
2120 | 00 24 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 30 | .$...11;1-2-3;2-1-3;2-1-6;2-1-10 |
2140 | 3b 32 2d 31 2d 31 31 3b 00 02 31 38 00 24 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 30 3b | ;2-1-11;..18.$...3;1-1-3;1-1-10; |
2160 | 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 39 00 17 00 00 00 31 30 3b | 1-1-11;2-2-3;2-1-11;..19.....10; |
2180 | 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 22 00 | 1-1-3;2-1-3;2-1-11;....smiles.". |
21a0 | 00 00 4f 43 43 31 4f 43 28 43 43 31 4f 29 6e 31 63 6e 63 32 63 31 5b 6e 48 5d 63 28 3d 4e 29 6e | ..OCC1OC(CC1O)n1cnc2c1[nH]c(=N)n |
21c0 | 63 32 53 00 02 69 6e 63 68 69 00 70 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 33 4e 35 | c2S..inchi.p...InChI=1S/C10H13N5 |
21e0 | 4f 33 53 2f 63 31 31 2d 31 30 2d 31 33 2d 38 2d 37 28 39 28 31 39 29 31 34 2d 31 30 29 31 32 2d | O3S/c11-10-13-8-7(9(19)14-10)12- |
2200 | 33 2d 31 35 28 38 29 36 2d 31 2d 34 28 31 37 29 35 28 32 2d 31 36 29 31 38 2d 36 2f 68 33 2d 36 | 3-15(8)6-1-4(17)5(2-16)18-6/h3-6 |
2220 | 2c 31 36 2d 31 37 48 2c 31 2d 32 48 32 2c 28 48 33 2c 31 31 2c 31 33 2c 31 34 2c 31 39 29 00 09 | ,16-17H,1-2H2,(H3,11,13,14,19).. |
2240 | 75 70 64 61 74 65 64 5f 61 74 00 ac ed 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 aa | updated_at...^FP....created_at.. |
2260 | ed 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | .^FP....default_fingerprint_size |
2280 | 00 00 00 00 00 00 91 02 00 00 07 5f 69 64 00 56 16 1c 65 2b 72 ed 2b 40 00 00 0c 04 77 61 72 6e | ..........._id.V..e+r.+@....warn |
22a0 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 9d 01 00 00 04 4d 50 32 | ings.......fingerprints......MP2 |
22c0 | 44 00 92 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 | D......0.....1;1-1-1;2-1-8;..1.. |
22e0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 32 00 1b 00 00 00 38 | ...1;1-1-1;1-1-8;2-1-3;..2.....8 |
2300 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 1b 00 00 | ;1-1-1;1-1-3;2-1-1;2-2-3;..3.... |
2320 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 15 | .3;1-2-3;1-1-8;2-1-1;2-2-3;..4.. |
2340 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 00 15 00 00 00 33 | ...3;1-2-3;2-2-3;2-1-8;..5.....3 |
2360 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 36 00 1b 00 00 00 33 3b 31 2d 32 | ;1-2-3;2-2-3;2-1-6;..6.....3;1-2 |
2380 | 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 | -3;1-1-6;2-1-2;2-2-3;..7.....3;1 |
23a0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 | -2-3;2-2-3;2-1-6;..8.....3;1-2-3 |
23c0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 21 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 | ;2-2-3;2-1-8;..9.!...6;1-1-2;1-1 |
23e0 | 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 30 00 1b 00 00 00 32 3b | -3;2-1-1;2-2-3;2-1-9;..10.....2; |
2400 | 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 33 3b 00 02 31 31 00 15 00 00 | 1-1-1;1-1-6;1-1-9;2-1-3;..11.... |
2420 | 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 32 00 15 00 00 00 31 3b | .9;1-1-2;2-1-1;2-1-6;..12.....1; |
2440 | 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 15 00 00 | 1-1-2;2-1-6;2-1-9;....smiles.... |
2460 | 00 43 43 4f 63 31 63 63 63 28 63 63 31 29 4e 3d 43 28 4f 29 43 00 02 69 6e 63 68 69 00 4f 00 00 | .CCOc1ccc(cc1)N=C(O)C..inchi.O.. |
2480 | 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 33 4e 4f 32 2f 63 31 2d 33 2d 31 33 2d 31 30 2d 36 | .InChI=1S/C10H13NO2/c1-3-13-10-6 |
24a0 | 2d 34 2d 39 28 35 2d 37 2d 31 30 29 31 31 2d 38 28 32 29 31 32 2f 68 34 2d 37 48 2c 33 48 32 2c | -4-9(5-7-10)11-8(2)12/h4-7H,3H2, |
24c0 | 31 2d 32 48 33 2c 28 48 2c 31 31 2c 31 32 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 b2 ed 5e 46 | 1-2H3,(H,11,12)..updated_at...^F |
24e0 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 b1 ed 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at...^FP....default |
2500 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 b3 02 00 00 07 5f 69 64 00 | _fingerprint_size..........._id. |
2520 | 56 16 1c 65 2b 72 ed 2b 40 00 00 0d 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..e+r.+@....warnings.......fing |
2540 | 65 72 70 72 69 6e 74 73 00 c1 01 00 00 04 4d 50 32 44 00 b6 01 00 00 02 30 00 15 00 00 00 38 3b | erprints......MP2D......0.....8; |
2560 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 00 28 00 00 00 31 3b 31 2d 31 2d | 1-1-1;2-1-1;2-1-3;..1.(...1;1-1- |
2580 | 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 | 1;1-1-3;1-1-8;2-1-1;2-2-3;2-1-19 |
25a0 | 3b 00 02 32 00 28 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d | ;..2.(...1;1-2-1;1-1-19;2-1-1;2- |
25c0 | 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 33 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 | 1-3;2-1-6;2-1-8;..3.....19;1-2-1 |
25e0 | 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 34 00 16 00 00 00 36 3b 31 2d 31 | ;1-1-6;2-2-1;2-1-9;..4.....6;1-1 |
2600 | 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 35 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b | -9;1-1-19;2-2-1;..5.....9;1-1-6; |
2620 | 32 2d 31 2d 31 39 3b 00 02 36 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d | 2-1-19;..6.....1;1-1-19;2-1-1;2- |
2640 | 31 2d 36 3b 00 02 37 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 | 1-6;..7.....1;1-1-1;2-1-1;2-1-19 |
2660 | 3b 00 02 38 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 | ;..8.!...3;1-1-1;1-2-3;2-1-1;2-2 |
2680 | 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 | -3;2-1-8;..9.....3;1-2-3;2-1-1;2 |
26a0 | 2d 32 2d 33 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 | -2-3;..10.....3;1-2-3;2-2-3;..11 |
26c0 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d | .....3;1-2-3;2-2-3;..12.....3;1- |
26e0 | 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 | 2-3;2-2-3;..13.....3;1-2-3;2-1-1 |
2700 | 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 18 00 00 00 4f 43 28 43 28 4e 28 4e 3d 4f | ;2-2-3;....smiles.....OC(C(N(N=O |
2720 | 29 43 29 43 29 63 31 63 63 63 63 63 31 00 02 69 6e 63 68 69 00 4a 00 00 00 49 6e 43 68 49 3d 31 | )C)C)c1ccccc1..inchi.J...InChI=1 |
2740 | 53 2f 43 31 30 48 31 34 4e 32 4f 32 2f 63 31 2d 38 28 31 32 28 32 29 31 31 2d 31 34 29 31 30 28 | S/C10H14N2O2/c1-8(12(2)11-14)10( |
2760 | 31 33 29 39 2d 36 2d 34 2d 33 2d 35 2d 37 2d 39 2f 68 33 2d 38 2c 31 30 2c 31 33 48 2c 31 2d 32 | 13)9-6-4-3-5-7-9/h3-8,10,13H,1-2 |
2780 | 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 b9 ed 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | H3..updated_at...^FP....created_ |
27a0 | 61 74 00 b7 ed 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at...^FP....default_fingerprint_ |
27c0 | 73 69 7a 65 00 00 00 00 00 00 40 03 00 00 07 5f 69 64 00 56 16 1c 65 2b 72 ed 2b 40 00 00 0e 04 | size......@...._id.V..e+r.+@.... |
27e0 | 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 3d 02 00 00 | warnings.......fingerprints.=... |
2800 | 04 4d 50 32 44 00 32 02 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b | .MP2D.2....0.....9;1-1-6;2-1-19; |
2820 | 00 02 31 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 32 | ..1.....6;1-1-9;1-1-19;2-2-1;..2 |
2840 | 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b | .....19;1-2-1;1-1-6;2-1-1;2-1-9; |
2860 | 00 02 33 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 | ..3."...1;1-1-1;1-1-19;2-1-1;2-1 |
2880 | 2d 36 3b 32 2d 31 2d 38 3b 00 02 34 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 | -6;2-1-8;..4.....1;1-1-1;1-1-8;2 |
28a0 | 2d 31 2d 31 39 3b 32 2d 31 2d 33 30 3b 00 02 35 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 | -1-19;2-1-30;..5."...8;1-1-1;1-1 |
28c0 | 2d 33 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 02 36 00 22 00 00 00 33 30 | -30;2-1-1;2-1-3;2-2-9;..6."...30 |
28e0 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | ;1-1-3;1-1-8;1-2-9;2-1-1;2-2-3;. |
2900 | 02 37 00 1c 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d | .7.....9;1-1-30;2-1-3;2-1-8;2-1- |
2920 | 39 3b 00 02 38 00 1c 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 | 9;..8.....9;1-1-30;2-1-3;2-1-8;2 |
2940 | 2d 31 2d 39 3b 00 02 39 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 33 30 3b 32 2d 32 2d | -1-9;..9."...3;1-2-3;1-1-30;2-2- |
2960 | 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;2-1-8;2-2-9;..10.....3;1-2-3;2 |
2980 | 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | -2-3;2-1-30;..11.....3;1-2-3;2-1 |
29a0 | 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 32 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b | -1;2-2-3;..12.....3;1-1-1;1-2-3; |
29c0 | 32 2d 32 2d 33 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 | 2-2-3;..13.....3;1-2-3;2-1-1;2-2 |
29e0 | 2d 33 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 | -3;..14.....3;1-2-3;2-2-3;2-1-30 |
2a00 | 3b 00 02 31 35 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 16 00 00 | ;..15.....1;1-1-3;2-2-3;..16.... |
2a20 | 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 | .1;1-1-19;2-1-1;2-1-6;....smiles |
2a40 | 00 1f 00 00 00 4f 3d 4e 4e 28 43 43 4f 53 28 3d 4f 29 28 3d 4f 29 63 31 63 63 63 28 63 63 31 29 | .....O=NN(CCOS(=O)(=O)c1ccc(cc1) |
2a60 | 43 29 43 00 02 69 6e 63 68 69 00 54 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 34 4e 32 | C)C..inchi.T...InChI=1S/C10H14N2 |
2a80 | 4f 34 53 2f 63 31 2d 39 2d 33 2d 35 2d 31 30 28 36 2d 34 2d 39 29 31 37 28 31 34 2c 31 35 29 31 | O4S/c1-9-3-5-10(6-4-9)17(14,15)1 |
2aa0 | 36 2d 38 2d 37 2d 31 32 28 32 29 31 31 2d 31 33 2f 68 33 2d 36 48 2c 37 2d 38 48 32 2c 31 2d 32 | 6-8-7-12(2)11-13/h3-6H,7-8H2,1-2 |
2ac0 | 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 bf ed 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | H3..updated_at...^FP....created_ |
2ae0 | 61 74 00 be ed 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at...^FP....default_fingerprint_ |
2b00 | 73 69 7a 65 00 00 00 00 00 00 ec 02 00 00 07 5f 69 64 00 56 16 1c 65 2b 72 ed 2b 40 00 00 0f 04 | size..........._id.V..e+r.+@.... |
2b20 | 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ee 01 00 00 | warnings.......fingerprints..... |
2b40 | 04 4d 50 32 44 00 e3 01 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b | .MP2D......0.....9;1-1-6;2-1-19; |
2b60 | 00 02 31 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 32 | ..1.....6;1-1-9;1-1-19;2-2-1;..2 |
2b80 | 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b | .....19;1-2-1;1-1-6;2-1-1;2-1-9; |
2ba0 | 00 02 33 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 | ..3.....1;1-1-1;1-1-19;2-2-1;2-1 |
2bc0 | 2d 36 3b 00 02 34 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b | -6;..4.....1;1-2-1;2-1-1;2-1-19; |
2be0 | 00 02 35 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d | ..5.....1;1-2-1;2-1-1;2-1-3;2-1- |
2c00 | 38 3b 00 02 36 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d | 8;..6.!...1;1-1-1;1-1-3;1-1-8;2- |
2c20 | 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 28 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b | 1-1;2-2-3;..7.(...3;1-1-1;1-2-3; |
2c40 | 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 38 00 15 00 00 | 2-1-1;2-1-3;2-1-8;2-1-11;..8.... |
2c60 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 16 00 00 00 33 3b 31 | .3;1-2-3;2-1-1;2-2-3;..9.....3;1 |
2c80 | 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 31 | -2-3;2-1-3;2-1-11;..10.....3;1-1 |
2ca0 | 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 10 00 00 00 31 31 3b 31 2d 32 2d | -3;1-1-11;2-2-3;..11.....11;1-2- |
2cc0 | 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 1c 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b | 3;2-2-3;..12.....3;1-1-3;1-1-11; |
2ce0 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 33 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 | 2-1-1;2-2-3;..13.....8;1-1-1;2-1 |
2d00 | 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 34 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 | -1;2-1-3;..14.....1;1-1-19;2-1-1 |
2d20 | 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 17 00 00 00 4f 3d 4e 4e 28 43 43 43 43 28 | ;2-1-6;....smiles.....O=NN(CCCC( |
2d40 | 63 31 63 63 63 6e 63 31 29 4f 29 43 00 02 69 6e 63 68 69 00 57 00 00 00 49 6e 43 68 49 3d 31 53 | c1cccnc1)O)C..inchi.W...InChI=1S |
2d60 | 2f 43 31 30 48 31 35 4e 33 4f 32 2f 63 31 2d 31 33 28 31 32 2d 31 35 29 37 2d 33 2d 35 2d 31 30 | /C10H15N3O2/c1-13(12-15)7-3-5-10 |
2d80 | 28 31 34 29 39 2d 34 2d 32 2d 36 2d 31 31 2d 38 2d 39 2f 68 32 2c 34 2c 36 2c 38 2c 31 30 2c 31 | (14)9-4-2-6-11-8-9/h2,4,6,8,10,1 |
2da0 | 34 48 2c 33 2c 35 2c 37 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 c6 ed 5e 46 50 | 4H,3,5,7H2,1H3..updated_at...^FP |
2dc0 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c4 ed 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at...^FP....default_ |
2de0 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 15 02 00 00 07 5f 69 64 00 56 | fingerprint_size..........._id.V |
2e00 | 16 1c 65 2b 72 ed 2b 40 00 00 10 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..e+r.+@....warnings.......finge |
2e20 | 72 70 72 69 6e 74 73 00 34 01 00 00 04 4d 50 32 44 00 29 01 00 00 02 30 00 15 00 00 00 31 3b 31 | rprints.4....MP2D.)....0.....1;1 |
2e40 | 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 00 15 00 00 00 32 3b 31 2d 32 2d 31 | -1-2;2-1-1;2-1-2;..1.....2;1-2-1 |
2e60 | 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 02 32 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 | ;1-1-2;2-2-1;..2.....2;1-1-1;1-1 |
2e80 | 2d 32 3b 32 2d 33 2d 31 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 | -2;2-3-1;..3.....1;1-1-1;1-1-2;2 |
2ea0 | 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 34 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 | -1-1;2-2-2;..4.....1;1-2-1;1-1-2 |
2ec0 | 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 35 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 | ;2-2-1;2-2-2;..5.....1;1-2-1;2-1 |
2ee0 | 2d 31 3b 32 2d 32 2d 32 3b 00 02 36 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 | -1;2-2-2;..6.....1;1-1-1;1-1-2;2 |
2f00 | 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 37 00 15 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 | -2-1;2-1-2;..7.....2;1-2-1;1-1-2 |
2f20 | 3b 32 2d 32 2d 31 3b 00 02 38 00 0f 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 02 39 | ;2-2-1;..8.....2;1-1-2;2-2-1;..9 |
2f40 | 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 | .....1;1-1-2;2-1-1;2-1-2;....smi |
2f60 | 6c 65 73 00 13 00 00 00 43 43 31 3d 43 43 43 28 43 43 31 29 43 28 3d 43 29 43 00 02 69 6e 63 68 | les.....CC1=CCC(CC1)C(=C)C..inch |
2f80 | 69 00 3e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 36 2f 63 31 2d 38 28 32 29 31 30 2d | i.>...InChI=1S/C10H16/c1-8(2)10- |
2fa0 | 36 2d 34 2d 39 28 33 29 35 2d 37 2d 31 30 2f 68 34 2c 31 30 48 2c 31 2c 35 2d 37 48 32 2c 32 2d | 6-4-9(3)5-7-10/h4,10H,1,5-7H2,2- |
2fc0 | 33 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 cc ed 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 | 3H3..updated_at...^FP....created |
2fe0 | 5f 61 74 00 cb ed 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...^FP....default_fingerprint |
3000 | 5f 73 69 7a 65 00 00 00 00 00 00 4f 02 00 00 07 5f 69 64 00 56 16 1c 65 2b 72 ed 2b 40 00 00 11 | _size......O...._id.V..e+r.+@... |
3020 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 6e 01 00 | .warnings.......fingerprints.n.. |
3040 | 00 04 4d 50 32 44 00 63 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b | ..MP2D.c....0.....1;1-1-1;2-1-1; |
3060 | 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 00 0f 00 00 00 31 3b | ..1.....1;1-2-1;2-1-1;..2.....1; |
3080 | 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d | 1-2-1;2-2-1;..3.....1;1-2-1;2-1- |
30a0 | 31 3b 32 2d 31 2d 31 39 3b 00 02 34 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b | 1;2-1-19;..4.....1;1-1-1;1-1-19; |
30c0 | 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 35 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 | 2-2-1;2-1-6;..5.....19;1-2-1;1-1 |
30e0 | 2d 36 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 36 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 | -6;2-2-1;2-1-9;..6.....6;1-1-9;1 |
3100 | 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 37 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d | -1-19;2-2-1;..7.....9;1-1-6;2-1- |
3120 | 31 39 3b 00 02 38 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b | 19;..8.....1;1-1-1;1-1-19;2-2-1; |
3140 | 32 2d 31 2d 36 3b 00 02 39 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d | 2-1-6;..9.....1;1-2-1;2-1-1;2-1- |
3160 | 31 39 3b 00 02 31 30 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 31 00 0f | 19;..10.....1;1-2-1;2-2-1;..11.. |
3180 | 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 32 00 0f 00 00 00 31 3b 31 2d 31 2d | ...1;1-2-1;2-1-1;..12.....1;1-1- |
31a0 | 31 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 11 00 00 00 43 43 43 43 43 4e 28 4e 3d | 1;2-1-1;....smiles.....CCCCCN(N= |
31c0 | 4f 29 43 43 43 43 43 00 02 69 6e 63 68 69 00 40 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 | O)CCCCC..inchi.@...InChI=1S/C10H |
31e0 | 32 32 4e 32 4f 2f 63 31 2d 33 2d 35 2d 37 2d 39 2d 31 32 28 31 31 2d 31 33 29 31 30 2d 38 2d 36 | 22N2O/c1-3-5-7-9-12(11-13)10-8-6 |
3200 | 2d 34 2d 32 2f 68 33 2d 31 30 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 d2 | -4-2/h3-10H2,1-2H3..updated_at.. |
3220 | ed 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d1 ed 5e 46 50 01 00 00 10 64 65 66 61 | .^FP....created_at...^FP....defa |
3240 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 ea 02 00 00 07 5f | ult_fingerprint_size..........._ |
3260 | 69 64 00 56 16 1c 65 2b 72 ed 2b 40 00 00 12 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..e+r.+@....warnings.......f |
3280 | 69 6e 67 65 72 70 72 69 6e 74 73 00 f4 01 00 00 04 4d 50 32 44 00 e9 01 00 00 02 30 00 16 00 00 | ingerprints......MP2D......0.... |
32a0 | 00 36 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 00 23 00 00 00 33 3b | .6;1-1-3;2-1-3;2-1-11;..1.#...3; |
32c0 | 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 33 3b | 1-1-3;1-1-6;1-1-11;2-2-3;2-1-13; |
32e0 | 00 02 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d | ..2.....3;1-2-3;2-1-3;2-1-6;2-1- |
3300 | 31 31 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b | 11;..3.....3;1-2-3;2-2-3;2-1-11; |
3320 | 00 02 34 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 32 | ..4.....3;1-2-3;1-1-11;2-2-3;2-2 |
3340 | 2d 31 31 3b 00 02 35 00 24 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 32 2d 31 31 3b 32 2d 34 2d 33 | -11;..5.$...3;1-1-3;1-2-11;2-4-3 |
3360 | 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 02 36 00 24 00 00 00 31 31 3b 31 2d 32 2d 33 3b | ;2-1-11;2-1-13;..6.$...11;1-2-3; |
3380 | 31 2d 31 2d 31 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 31 3b 00 02 37 00 11 00 | 1-1-13;2-2-3;2-1-6;2-1-11;..7... |
33a0 | 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 38 00 17 00 00 00 31 31 3b 31 2d 33 | ..13;1-1-11;2-2-3;..8.....11;1-3 |
33c0 | 2d 33 3b 32 2d 33 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 31 2d 33 3b | -3;2-3-3;2-2-11;..9.....3;1-1-3; |
33e0 | 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 1-1-11;2-3-3;..10.....3;1-2-3;2- |
3400 | 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 1-3;2-1-11;..11.....3;1-2-3;2-2- |
3420 | 33 3b 00 02 31 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b | 3;..12.....3;1-2-3;2-1-3;2-2-11; |
3440 | 00 02 31 33 00 16 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 32 2d 31 31 3b 32 2d 34 2d 33 3b 00 02 | ..13.....3;1-1-3;1-2-11;2-4-3;.. |
3460 | 31 34 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 00 00 | 14.....11;1-2-3;2-3-3;2-1-11;... |
3480 | 02 73 6d 69 6c 65 73 00 1b 00 00 00 4e 3d 63 31 63 63 63 32 63 28 5b 6e 48 5d 31 29 6e 31 63 63 | .smiles.....N=c1ccc2c([nH]1)n1cc |
34a0 | 63 63 63 31 6e 32 00 02 69 6e 63 68 69 00 4b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 38 | ccc1n2..inchi.K...InChI=1S/C10H8 |
34c0 | 4e 34 2f 63 31 31 2d 38 2d 35 2d 34 2d 37 2d 31 30 28 31 33 2d 38 29 31 34 2d 36 2d 32 2d 31 2d | N4/c11-8-5-4-7-10(13-8)14-6-2-1- |
34e0 | 33 2d 39 28 31 34 29 31 32 2d 37 2f 68 31 2d 36 48 2c 28 48 32 2c 31 31 2c 31 33 29 00 09 75 70 | 3-9(14)12-7/h1-6H,(H2,11,13)..up |
3500 | 64 61 74 65 64 5f 61 74 00 d9 ed 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d8 ed 5e | dated_at...^FP....created_at...^ |
3520 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
3540 | 00 00 00 00 c5 03 00 00 07 5f 69 64 00 56 16 1c 65 2b 72 ed 2b 40 00 00 13 04 77 61 72 6e 69 6e | ........._id.V..e+r.+@....warnin |
3560 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b2 02 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
3580 | a7 02 00 00 02 30 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 35 | .....0.....15;1-1-1;2-1-1;2-1-15 |
35a0 | 3b 00 02 31 00 1e 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 31 35 3b 32 2d 31 2d 31 30 3b 32 | ;..1.....1;1-1-1;1-2-15;2-1-10;2 |
35c0 | 2d 32 2d 31 35 3b 00 02 32 00 25 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 31 2d 32 | -2-15;..2.%...1;1-1-1;1-1-10;1-2 |
35e0 | 2d 31 35 3b 32 2d 32 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 02 33 00 24 00 00 00 31 30 3b 31 2d 31 | -15;2-2-15;2-1-28;..3.$...10;1-1 |
3600 | 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 32 2d 31 35 3b 00 02 34 | -1;1-1-28;2-1-1;2-2-2;2-2-15;..4 |
3620 | 00 1d 00 00 00 32 38 3b 31 2d 32 2d 32 3b 31 2d 31 2d 31 30 3b 32 2d 33 2d 31 3b 32 2d 32 2d 39 | .....28;1-2-2;1-1-10;2-3-1;2-2-9 |
3640 | 3b 00 02 35 00 29 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d | ;..5.)...2;1-1-1;1-1-9;1-1-28;2- |
3660 | 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 30 3b 00 02 36 00 16 00 00 00 39 3b 31 2d 31 2d 32 | 2-1;2-1-2;2-1-10;..6.....9;1-1-2 |
3680 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 37 00 28 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d | ;2-1-1;2-1-28;..7.(...1;1-2-1;1- |
36a0 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 38 | 1-2;2-1-1;2-2-2;2-1-9;2-1-28;..8 |
36c0 | 00 28 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 | .(...1;1-2-1;1-1-2;2-1-1;2-2-2;2 |
36e0 | 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 39 00 29 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -1-9;2-1-28;..9.)...2;1-1-1;1-1- |
3700 | 39 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 30 3b 00 02 31 30 | 9;1-1-28;2-2-1;2-1-2;2-1-10;..10 |
3720 | 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 31 00 1b | .....9;1-1-2;2-1-1;2-1-28;..11.. |
3740 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 | ...1;1-1-1;1-1-2;2-1-1;2-2-2;..1 |
3760 | 32 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 02 31 33 00 15 | 2.....2;1-1-1;1-1-2;2-2-1;..13.. |
3780 | 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 02 31 34 00 1b 00 00 00 | ...2;1-1-1;1-1-2;2-2-1;..14..... |
37a0 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 35 00 1e | 1;1-1-1;1-1-2;2-1-1;2-2-2;..15.. |
37c0 | 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 35 3b | ...15;1-1-1;2-1-1;2-1-10;2-1-15; |
37e0 | 00 02 31 36 00 1e 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 32 | ..16.....15;1-1-1;2-1-1;2-1-10;2 |
3800 | 2d 31 2d 31 35 3b 00 02 31 37 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d | -1-15;..17.....15;1-1-1;2-1-1;2- |
3820 | 31 2d 31 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 28 00 00 00 43 6c 43 28 43 28 53 4e 31 43 28 3d | 1-15;....smiles.(...ClC(C(SN1C(= |
3840 | 4f 29 43 32 43 28 43 31 3d 4f 29 43 43 3d 43 43 32 29 28 43 6c 29 43 6c 29 43 6c 00 02 69 6e 63 | O)C2C(C1=O)CC=CC2)(Cl)Cl)Cl..inc |
3860 | 68 69 00 5b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 39 43 6c 34 4e 4f 32 53 2f 63 31 31 | hi.[...InChI=1S/C10H9Cl4NO2S/c11 |
3880 | 2d 39 28 31 32 29 31 30 28 31 33 2c 31 34 29 31 38 2d 31 35 2d 37 28 31 36 29 35 2d 33 2d 31 2d | -9(12)10(13,14)18-15-7(16)5-3-1- |
38a0 | 32 2d 34 2d 36 28 35 29 38 28 31 35 29 31 37 2f 68 31 2d 32 2c 35 2d 36 2c 39 48 2c 33 2d 34 48 | 2-4-6(5)8(15)17/h1-2,5-6,9H,3-4H |
38c0 | 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 e0 ed 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | 2..updated_at...^FP....created_a |
38e0 | 74 00 df ed 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t...^FP....default_fingerprint_s |
3900 | 69 7a 65 00 00 00 00 00 00 f4 01 00 00 07 5f 69 64 00 56 16 1c 65 2b 72 ed 2b 40 00 00 14 04 77 | ize..........._id.V..e+r.+@....w |
3920 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 19 01 00 00 04 | arnings.......fingerprints...... |
3940 | 4d 50 32 44 00 0e 01 00 00 02 30 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | MP2D......0.....19;1-1-3;2-2-3;. |
3960 | 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 32 00 | .1.....3;1-2-3;1-1-19;2-2-3;..2. |
3980 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 0f 00 00 | ....3;1-2-3;2-2-3;2-1-19;..3.... |
39a0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 | .3;1-2-3;2-3-3;..4.....3;1-3-3;2 |
39c0 | 2d 34 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 36 00 16 | -4-3;..5.....3;1-3-3;2-4-3;..6.. |
39e0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 0f 00 00 00 | ...3;1-2-3;2-3-3;2-1-19;..7..... |
3a00 | 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 3;1-2-3;2-3-3;..8.....3;1-2-3;2- |
3a20 | 32 2d 33 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 0f | 2-3;..9.....3;1-2-3;2-2-3;..10.. |
3a40 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 12 00 00 00 | ...3;1-2-3;2-3-3;....smiles..... |
3a60 | 4e 63 31 63 63 63 32 63 28 63 31 29 63 63 63 63 32 00 02 69 6e 63 68 69 00 39 00 00 00 49 6e 43 | Nc1ccc2c(c1)cccc2..inchi.9...InC |
3a80 | 68 49 3d 31 53 2f 43 31 30 48 39 4e 2f 63 31 31 2d 31 30 2d 36 2d 35 2d 38 2d 33 2d 31 2d 32 2d | hI=1S/C10H9N/c11-10-6-5-8-3-1-2- |
3aa0 | 34 2d 39 28 38 29 37 2d 31 30 2f 68 31 2d 37 48 2c 31 31 48 32 00 09 75 70 64 61 74 65 64 5f 61 | 4-9(8)7-10/h1-7H,11H2..updated_a |
3ac0 | 74 00 e7 ed 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e5 ed 5e 46 50 01 00 00 10 64 | t...^FP....created_at...^FP....d |
3ae0 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 1d 03 00 | efault_fingerprint_size......... |
3b00 | 00 07 5f 69 64 00 56 16 1c 65 2b 72 ed 2b 40 00 00 15 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V..e+r.+@....warnings..... |
3b20 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 23 02 00 00 04 4d 50 32 44 00 18 02 00 00 02 30 00 | ..fingerprints.#....MP2D......0. |
3b40 | 16 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 00 1c 00 00 | ....1;1-1-3;2-1-3;2-1-11;..1.... |
3b60 | 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 32 00 | .3;1-1-1;1-1-3;1-1-11;2-2-3;..2. |
3b80 | 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b | ....11;1-2-3;2-1-1;2-2-3;2-1-11; |
3ba0 | 00 02 33 00 1c 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 32 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 | ..3.....3;1-1-3;1-2-11;2-3-3;2-1 |
3bc0 | 2d 39 3b 00 02 34 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | -9;..4.....11;1-2-3;2-1-1;2-2-3; |
3be0 | 32 2d 31 2d 31 31 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 | 2-1-11;..5.....3;1-1-1;1-1-3;1-1 |
3c00 | 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b | -11;2-2-3;..6.....3;1-2-3;2-2-1; |
3c20 | 32 2d 32 2d 31 31 3b 00 02 37 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 | 2-2-11;..7.....1;1-1-3;2-1-3;2-1 |
3c40 | 2d 31 31 3b 00 02 38 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b | -11;..8.....3;1-2-3;1-1-9;2-2-3; |
3c60 | 32 2d 32 2d 31 31 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | 2-2-11;..9.....3;1-2-3;2-2-3;2-1 |
3c80 | 2d 39 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b | -9;..10.....3;1-2-3;2-1-3;2-1-9; |
3ca0 | 32 2d 31 2d 31 39 3b 00 02 31 31 00 22 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d | 2-1-19;..11."...3;1-1-3;1-1-9;1- |
3cc0 | 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 32 00 16 00 00 00 39 3b 31 2d 32 2d | 1-19;2-2-3;2-2-9;..12.....9;1-2- |
3ce0 | 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 | 3;2-3-3;2-1-19;..13.....19;1-1-3 |
3d00 | 3b 31 2d 32 2d 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 34 00 16 00 00 00 39 3b 31 2d | ;1-2-9;2-1-3;2-1-9;..14.....9;1- |
3d20 | 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 35 00 16 00 00 00 39 3b 31 2d 31 2d | 1-19;2-1-3;2-1-9;..15.....9;1-1- |
3d40 | 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 1f 00 00 00 43 63 | 19;2-1-3;2-1-9;....smiles.....Cc |
3d60 | 31 6e 63 28 6e 63 28 63 31 29 43 29 63 31 63 63 63 28 6f 31 29 4e 28 3d 4f 29 3d 4f 00 02 69 6e | 1nc(nc(c1)C)c1ccc(o1)N(=O)=O..in |
3d80 | 63 68 69 00 4b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 39 4e 33 4f 33 2f 63 31 2d 36 2d | chi.K...InChI=1S/C10H9N3O3/c1-6- |
3da0 | 35 2d 37 28 32 29 31 32 2d 31 30 28 31 31 2d 36 29 38 2d 33 2d 34 2d 39 28 31 36 2d 38 29 31 33 | 5-7(2)12-10(11-6)8-3-4-9(16-8)13 |
3dc0 | 28 31 34 29 31 35 2f 68 33 2d 35 48 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 ed | (14)15/h3-5H,1-2H3..updated_at.. |
3de0 | ed 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ec ed 5e 46 50 01 00 00 10 64 65 66 61 | .^FP....created_at...^FP....defa |
3e00 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 b9 03 00 00 07 5f | ult_fingerprint_size..........._ |
3e20 | 69 64 00 56 16 1c 65 2b 72 ed 2b 40 00 00 16 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..e+r.+@....warnings.......f |
3e40 | 69 6e 67 65 72 70 72 69 6e 74 73 00 95 02 00 00 04 4d 50 32 44 00 8a 02 00 00 02 30 00 10 00 00 | ingerprints......MP2D......0.... |
3e60 | 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 00 1d 00 00 00 31 3b 31 2d 33 2d 31 3b | .15;1-1-1;2-3-1;..1.....1;1-3-1; |
3e80 | 31 2d 31 2d 31 35 3b 32 2d 35 2d 31 3b 32 2d 33 2d 31 35 3b 00 02 32 00 16 00 00 00 31 3b 31 2d | 1-1-15;2-5-1;2-3-15;..2.....1;1- |
3ea0 | 33 2d 31 3b 32 2d 36 2d 31 3b 32 2d 33 2d 31 35 3b 00 02 33 00 1d 00 00 00 31 3b 31 2d 33 2d 31 | 3-1;2-6-1;2-3-15;..3.....1;1-3-1 |
3ec0 | 3b 31 2d 31 2d 31 35 3b 32 2d 36 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 34 00 1d 00 00 00 31 3b 31 | ;1-1-15;2-6-1;2-2-15;..4.....1;1 |
3ee0 | 2d 33 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 35 2d 31 3b 32 2d 34 2d 31 35 3b 00 02 35 00 1d 00 00 | -3-1;1-1-15;2-5-1;2-4-15;..5.... |
3f00 | 00 31 3b 31 2d 32 2d 31 3b 31 2d 32 2d 31 35 3b 32 2d 34 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 36 | .1;1-2-1;1-2-15;2-4-1;2-2-15;..6 |
3f20 | 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 37 00 17 | .....15;1-1-1;2-2-1;2-1-15;..7.. |
3f40 | 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 38 00 1d 00 00 | ...15;1-1-1;2-2-1;2-1-15;..8.... |
3f60 | 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 36 2d 31 3b 32 2d 33 2d 31 35 3b 00 02 39 | .1;1-3-1;1-1-15;2-6-1;2-3-15;..9 |
3f80 | 00 1d 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 36 2d 31 3b 32 2d 33 2d 31 35 | .....1;1-3-1;1-1-15;2-6-1;2-3-15 |
3fa0 | 3b 00 02 31 30 00 1d 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 35 2d 31 3b 32 | ;..10.....1;1-3-1;1-1-15;2-5-1;2 |
3fc0 | 2d 33 2d 31 35 3b 00 02 31 31 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 | -3-15;..11.....15;1-1-1;2-3-1;.. |
3fe0 | 31 32 00 1d 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 32 2d 31 35 3b 32 2d 34 2d 31 3b 32 2d 32 2d | 12.....1;1-2-1;1-2-15;2-4-1;2-2- |
4000 | 31 35 3b 00 02 31 33 00 1d 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 35 2d 31 | 15;..13.....1;1-3-1;1-1-15;2-5-1 |
4020 | 3b 32 2d 34 2d 31 35 3b 00 02 31 34 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b | ;2-4-15;..14.....15;1-1-1;2-3-1; |
4040 | 00 02 31 35 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 | ..15.....15;1-1-1;2-2-1;2-1-15;. |
4060 | 02 31 36 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 | .16.....15;1-1-1;2-2-1;2-1-15;.. |
4080 | 31 37 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 38 00 10 00 00 00 31 | 17.....15;1-1-1;2-3-1;..18.....1 |
40a0 | 35 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 39 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b | 5;1-1-1;2-3-1;..19.....15;1-1-1; |
40c0 | 32 2d 33 2d 31 3b 00 02 32 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 00 | 2-3-1;..20.....15;1-1-1;2-3-1;.. |
40e0 | 00 02 73 6d 69 6c 65 73 00 3d 00 00 00 43 6c 43 31 32 43 33 43 34 28 43 28 43 31 28 43 6c 29 43 | ..smiles.=...ClC12C3C4(C(C1(Cl)C |
4100 | 6c 29 28 43 31 28 43 32 28 43 33 28 43 6c 29 43 28 43 34 31 43 6c 29 28 43 6c 29 43 6c 29 43 6c | l)(C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl |
4120 | 29 43 6c 29 43 6c 29 43 6c 00 02 69 6e 63 68 69 00 57 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 | )Cl)Cl)Cl..inchi.W...InChI=1S/C1 |
4140 | 30 48 43 6c 31 31 2f 63 31 31 2d 32 2d 31 2d 33 28 31 32 29 35 28 31 34 29 34 28 31 2c 31 33 29 | 0HCl11/c11-2-1-3(12)5(14)4(1,13) |
4160 | 31 30 28 32 30 2c 32 31 29 37 28 32 2c 31 36 29 38 28 35 2c 31 37 29 36 28 32 2c 31 35 29 39 28 | 10(20,21)7(2,16)8(5,17)6(2,15)9( |
4180 | 33 2c 31 38 29 31 39 2f 68 31 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 f5 ed 5e 46 50 01 00 00 | 3,18)19/h1H..updated_at...^FP... |
41a0 | 09 63 72 65 61 74 65 64 5f 61 74 00 f3 ed 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at...^FP....default_fin |
41c0 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 0a 03 00 00 07 5f 69 64 00 56 16 1c 65 | gerprint_size..........._id.V..e |
41e0 | 2b 72 ed 2b 40 00 00 17 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.+@....warnings.......fingerpr |
4200 | 69 6e 74 73 00 0b 02 00 00 04 4d 50 32 44 00 00 02 00 00 02 30 00 10 00 00 00 36 3b 31 2d 31 2d | ints......MP2D......0.....6;1-1- |
4220 | 33 3b 32 2d 32 2d 31 31 3b 00 02 31 00 23 00 00 00 33 3b 31 2d 31 2d 36 3b 31 2d 32 2d 31 31 3b | 3;2-2-11;..1.#...3;1-1-6;1-2-11; |
4240 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 32 00 24 00 00 00 31 31 3b 31 2d | 2-1-1;2-2-3;2-1-13;..2.$...11;1- |
4260 | 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 31 3b 00 02 | 2-3;1-1-13;2-2-3;2-1-6;2-1-11;.. |
4280 | 33 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 34 00 24 00 00 00 33 3b | 3.....13;1-1-11;2-2-3;..4.$...3; |
42a0 | 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 33 | 1-2-3;1-1-11;2-4-3;2-1-11;2-1-13 |
42c0 | 3b 00 02 35 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d | ;..5.#...3;1-2-3;1-1-11;2-1-1;2- |
42e0 | 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 36 00 23 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d | 3-3;2-1-11;..6.#...11;1-1-1;1-2- |
4300 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 31 3b 00 02 37 00 10 00 00 00 31 3b 31 | 3;2-2-3;2-1-6;2-1-11;..7.....1;1 |
4320 | 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -1-11;2-2-3;..8.....3;1-2-3;2-2- |
4340 | 33 3b 32 2d 31 2d 31 31 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 3;2-1-11;..9.....3;1-2-3;2-2-3;2 |
4360 | 2d 31 2d 31 31 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d | -1-11;..10.....3;1-2-3;1-1-11;2- |
4380 | 34 2d 33 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 33 2d 33 3b 32 2d 32 2d 31 | 4-3;..11.....3;1-3-3;2-3-3;2-2-1 |
43a0 | 31 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 33 00 16 00 | 1;..12.....3;1-2-3;2-3-3;..13... |
43c0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 34 00 16 00 00 00 | ..3;1-2-3;2-1-3;2-1-11;..14..... |
43e0 | 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 35 00 10 00 00 00 31 31 | 3;1-1-3;1-1-11;2-2-3;..15.....11 |
4400 | 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1c 00 00 00 4e 3d 63 31 | ;1-2-3;2-3-3;....smiles.....N=c1 |
4420 | 5b 6e 48 5d 63 32 63 28 6e 31 43 29 63 63 63 31 63 32 63 63 63 6e 31 00 02 69 6e 63 68 69 00 53 | [nH]c2c(n1C)ccc1c2cccn1..inchi.S |
4440 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 31 48 31 30 4e 34 2f 63 31 2d 31 35 2d 39 2d 35 2d 34 | ...InChI=1S/C11H10N4/c1-15-9-5-4 |
4460 | 2d 38 2d 37 28 33 2d 32 2d 36 2d 31 33 2d 38 29 31 30 28 39 29 31 34 2d 31 31 28 31 35 29 31 32 | -8-7(3-2-6-13-8)10(9)14-11(15)12 |
4480 | 2f 68 32 2d 36 48 2c 31 48 33 2c 28 48 32 2c 31 32 2c 31 34 29 00 09 75 70 64 61 74 65 64 5f 61 | /h2-6H,1H3,(H2,12,14)..updated_a |
44a0 | 74 00 fc ed 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 fa ed 5e 46 50 01 00 00 10 64 | t...^FP....created_at...^FP....d |
44c0 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 1e 03 00 | efault_fingerprint_size......... |
44e0 | 00 07 5f 69 64 00 56 16 1c 65 2b 72 ed 2b 40 00 00 18 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V..e+r.+@....warnings..... |
4500 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 1d 02 00 00 04 4d 50 32 44 00 12 02 00 00 02 30 00 | ..fingerprints......MP2D......0. |
4520 | 16 00 00 00 36 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 00 23 00 00 | ....6;1-1-3;2-1-3;2-1-11;..1.#.. |
4540 | 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d | .3;1-1-3;1-1-6;1-1-11;2-2-3;2-1- |
4560 | 31 33 3b 00 02 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 | 13;..2.....3;1-2-3;2-1-3;2-1-6;2 |
4580 | 2d 31 2d 31 31 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | -1-11;..3.....3;1-2-3;2-2-3;2-1- |
45a0 | 31 31 3b 00 02 34 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b | 11;..4.....3;1-2-3;1-1-11;2-2-3; |
45c0 | 32 2d 32 2d 31 31 3b 00 02 35 00 24 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 32 2d 31 31 3b 32 2d | 2-2-11;..5.$...3;1-1-3;1-2-11;2- |
45e0 | 34 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 02 36 00 24 00 00 00 31 31 3b 31 2d 32 | 4-3;2-1-11;2-1-13;..6.$...11;1-2 |
4600 | 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 31 3b 00 02 37 | -3;1-1-13;2-2-3;2-1-6;2-1-11;..7 |
4620 | 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 38 00 17 00 00 00 31 31 3b | .....13;1-1-11;2-2-3;..8.....11; |
4640 | 31 2d 33 2d 33 3b 32 2d 33 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 31 | 1-3-3;2-3-3;2-2-11;..9.....3;1-1 |
4660 | 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 | -3;1-1-11;2-3-3;..10.....3;1-2-3 |
4680 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | ;2-1-3;2-1-11;..11.....3;1-2-3;2 |
46a0 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 32 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d | -1-1;2-2-3;..12.....3;1-1-1;1-2- |
46c0 | 33 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 33 00 1c 00 00 00 33 3b 31 2d 31 2d 33 3b | 3;2-1-3;2-2-11;..13.....3;1-1-3; |
46e0 | 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 34 2d 33 3b 00 02 31 34 00 17 00 00 00 31 31 3b 31 | 1-2-11;2-1-1;2-4-3;..14.....11;1 |
4700 | 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 35 00 0f 00 00 00 31 3b 31 2d 31 | -2-3;2-3-3;2-1-11;..15.....1;1-1 |
4720 | 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1e 00 00 00 4e 3d 63 31 63 63 63 32 | -3;2-2-3;....smiles.....N=c1ccc2 |
4740 | 63 28 5b 6e 48 5d 31 29 6e 31 63 63 63 63 28 63 31 6e 32 29 43 00 02 69 6e 63 68 69 00 53 00 00 | c([nH]1)n1cccc(c1n2)C..inchi.S.. |
4760 | 00 49 6e 43 68 49 3d 31 53 2f 43 31 31 48 31 30 4e 34 2f 63 31 2d 37 2d 33 2d 32 2d 36 2d 31 35 | .InChI=1S/C11H10N4/c1-7-3-2-6-15 |
4780 | 2d 31 30 28 37 29 31 33 2d 38 2d 34 2d 35 2d 39 28 31 32 29 31 34 2d 31 31 28 38 29 31 35 2f 68 | -10(7)13-8-4-5-9(12)14-11(8)15/h |
47a0 | 32 2d 36 48 2c 31 48 33 2c 28 48 32 2c 31 32 2c 31 34 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 | 2-6H,1H3,(H2,12,14)..updated_at. |
47c0 | 03 ee 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 01 ee 5e 46 50 01 00 00 10 64 65 66 | ..^FP....created_at...^FP....def |
47e0 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 2a 04 00 00 07 | ault_fingerprint_size......*.... |
4800 | 5f 69 64 00 56 16 1c 65 2b 72 ed 2b 40 00 00 19 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..e+r.+@....warnings....... |
4820 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 f6 02 00 00 04 4d 50 32 44 00 eb 02 00 00 02 30 00 15 00 | fingerprints......MP2D......0... |
4840 | 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 31 00 1b 00 00 00 32 3b | ..1;1-1-2;2-1-6;2-1-9;..1.....2; |
4860 | 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 33 3b 00 02 32 00 22 00 00 00 | 1-1-1;1-1-6;1-1-9;2-1-3;..2."... |
4880 | 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 31 | 6;1-1-2;1-1-3;2-1-1;2-1-9;2-2-11 |
48a0 | 3b 00 02 33 00 1c 00 00 00 33 3b 31 2d 31 2d 36 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 32 3b 32 2d | ;..3.....3;1-1-6;1-2-11;2-1-2;2- |
48c0 | 32 2d 33 3b 00 02 34 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 | 2-3;..4.....11;1-2-3;2-1-3;2-1-6 |
48e0 | 3b 32 2d 32 2d 31 31 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 32 2d 31 31 3b 32 | ;2-2-11;..5.....3;1-1-3;1-2-11;2 |
4900 | 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 36 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d | -3-3;2-1-9;..6.....11;1-2-3;2-1- |
4920 | 33 3b 32 2d 31 2d 36 3b 32 2d 32 2d 31 31 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 31 2d 36 3b 31 | 3;2-1-6;2-2-11;..7.....3;1-1-6;1 |
4940 | 2d 32 2d 31 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 38 00 17 00 00 00 31 31 3b 31 2d 32 | -2-11;2-1-2;2-2-3;..8.....11;1-2 |
4960 | 2d 33 3b 32 2d 32 2d 36 3b 32 2d 32 2d 31 31 3b 00 02 39 00 22 00 00 00 36 3b 31 2d 31 2d 32 3b | -3;2-2-6;2-2-11;..9."...6;1-1-2; |
4980 | 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 31 3b 00 02 31 30 00 1b 00 | 1-1-3;2-1-1;2-1-9;2-2-11;..10... |
49a0 | 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 33 3b 00 02 31 31 | ..2;1-1-1;1-1-6;1-1-9;2-1-3;..11 |
49c0 | 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 32 00 15 00 | .....9;1-1-2;2-1-1;2-1-6;..12... |
49e0 | 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 31 33 00 1c 00 00 00 33 | ..1;1-1-2;2-1-6;2-1-9;..13.....3 |
4a00 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 34 00 15 | ;1-2-3;1-1-9;2-2-3;2-2-11;..14.. |
4a20 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 35 00 1c 00 00 00 | ...3;1-2-3;2-2-3;2-1-9;..15..... |
4a40 | 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 36 00 | 3;1-2-3;2-1-3;2-1-9;2-1-19;..16. |
4a60 | 22 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 | "...3;1-1-3;1-1-9;1-1-19;2-2-3;2 |
4a80 | 2d 32 2d 39 3b 00 02 31 37 00 16 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d | -2-9;..17.....9;1-2-3;2-3-3;2-1- |
4aa0 | 31 39 3b 00 02 31 38 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 31 2d 33 | 19;..18.....19;1-1-3;1-2-9;2-1-3 |
4ac0 | 3b 32 2d 31 2d 39 3b 00 02 31 39 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 | ;2-1-9;..19.....9;1-1-19;2-1-3;2 |
4ae0 | 2d 31 2d 39 3b 00 02 32 30 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 | -1-9;..20.....9;1-1-19;2-1-3;2-1 |
4b00 | 2d 39 3b 00 02 32 31 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b | -9;..21.....9;1-1-2;2-1-1;2-1-6; |
4b20 | 00 00 00 02 73 6d 69 6c 65 73 00 2b 00 00 00 43 43 28 3d 4e 63 31 6e 63 28 6e 63 28 6e 31 29 4e | ....smiles.+...CC(=Nc1nc(nc(n1)N |
4b40 | 3d 43 28 4f 29 43 29 63 31 63 63 63 28 6f 31 29 4e 28 3d 4f 29 3d 4f 29 4f 00 02 69 6e 63 68 69 | =C(O)C)c1ccc(o1)N(=O)=O)O..inchi |
4b60 | 00 79 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 31 48 31 30 4e 36 4f 35 2f 63 31 2d 35 28 31 38 | .y...InChI=1S/C11H10N6O5/c1-5(18 |
4b80 | 29 31 32 2d 31 30 2d 31 34 2d 39 28 31 35 2d 31 31 28 31 36 2d 31 30 29 31 33 2d 36 28 32 29 31 | )12-10-14-9(15-11(16-10)13-6(2)1 |
4ba0 | 39 29 37 2d 33 2d 34 2d 38 28 32 32 2d 37 29 31 37 28 32 30 29 32 31 2f 68 33 2d 34 48 2c 31 2d | 9)7-3-4-8(22-7)17(20)21/h3-4H,1- |
4bc0 | 32 48 33 2c 28 48 32 2c 31 32 2c 31 33 2c 31 34 2c 31 35 2c 31 36 2c 31 38 2c 31 39 29 00 09 75 | 2H3,(H2,12,13,14,15,16,18,19)..u |
4be0 | 70 64 61 74 65 64 5f 61 74 00 0a ee 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 09 ee | pdated_at...^FP....created_at... |
4c00 | 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | ^FP....default_fingerprint_size. |
4c20 | 00 00 00 00 00 5a 03 00 00 07 5f 69 64 00 56 16 1c 65 2b 72 ed 2b 40 00 00 1a 04 77 61 72 6e 69 | .....Z...._id.V..e+r.+@....warni |
4c40 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 47 02 00 00 04 4d 50 32 44 | ngs.......fingerprints.G....MP2D |
4c60 | 00 3c 02 00 00 02 30 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b | .<....0.....9;1-1-2;2-1-1;2-1-6; |
4c80 | 00 02 31 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d | ..1.....2;1-1-1;1-1-6;1-1-9;2-1- |
4ca0 | 31 3b 00 02 32 00 15 00 00 00 36 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 | 1;..2.....6;1-1-2;2-1-1;2-1-9;.. |
4cc0 | 33 00 27 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b | 3.'...1;1-1-1;1-1-2;2-1-1;2-1-5; |
4ce0 | 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 34 00 28 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d | 2-1-6;2-1-9;..4.(...1;1-2-1;1-1- |
4d00 | 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 33 31 3b 00 02 35 00 22 | 5;2-1-1;2-1-2;2-2-8;2-1-31;..5." |
4d20 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 | ...1;1-1-1;1-2-8;2-1-1;2-1-5;2-1 |
4d40 | 2d 33 31 3b 00 02 36 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b | -31;..6.....8;1-1-1;2-1-1;2-1-8; |
4d60 | 00 02 37 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 31 3b 32 2d 31 2d 31 3b 32 2d 31 | ..7."...8;1-1-1;1-1-31;2-1-1;2-1 |
4d80 | 2d 35 3b 32 2d 31 2d 38 3b 00 02 38 00 16 00 00 00 33 31 3b 31 2d 31 2d 35 3b 31 2d 31 2d 38 3b | -5;2-1-8;..8.....31;1-1-5;1-1-8; |
4da0 | 32 2d 33 2d 31 3b 00 02 39 00 22 00 00 00 35 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 31 3b 32 2d 32 | 2-3-1;..9."...5;1-2-1;1-1-31;2-2 |
4dc0 | 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 30 00 22 00 00 00 31 3b 31 2d 31 2d 33 3b | -1;2-1-3;2-1-8;..10."...1;1-1-3; |
4de0 | 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 31 3b 00 02 31 31 00 1b 00 | 1-1-5;2-1-1;2-2-3;2-1-31;..11... |
4e00 | 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 00 02 31 32 | ..3;1-1-1;1-2-3;2-2-3;2-1-5;..12 |
4e20 | 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 | .....3;1-2-3;2-1-1;2-2-3;..13... |
4e40 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | ..3;1-2-3;2-2-3;..14.....3;1-2-3 |
4e60 | 3b 32 2d 32 2d 33 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 | ;2-2-3;..15.....3;1-2-3;2-2-3;.. |
4e80 | 31 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 00 00 02 73 | 16.....3;1-2-3;2-1-1;2-2-3;....s |
4ea0 | 6d 69 6c 65 73 00 1e 00 00 00 4f 43 28 3d 4e 29 43 63 31 63 28 4f 29 5b 6f 2b 5d 6e 6e 31 43 63 | miles.....OC(=N)Cc1c(O)[o+]nn1Cc |
4ec0 | 31 63 63 63 63 63 31 00 02 69 6e 63 68 69 00 65 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 31 48 | 1ccccc1..inchi.e...InChI=1S/C11H |
4ee0 | 31 31 4e 33 4f 33 2f 63 31 32 2d 31 30 28 31 35 29 36 2d 39 2d 31 31 28 31 36 29 31 37 2d 31 33 | 11N3O3/c12-10(15)6-9-11(16)17-13 |
4f00 | 2d 31 34 28 39 29 37 2d 38 2d 34 2d 32 2d 31 2d 33 2d 35 2d 38 2f 68 31 2d 35 48 2c 36 2d 37 48 | -14(9)7-8-4-2-1-3-5-8/h1-5H,6-7H |
4f20 | 32 2c 28 48 32 2d 2c 31 32 2c 31 33 2c 31 35 2c 31 36 29 2f 70 2b 31 00 09 75 70 64 61 74 65 64 | 2,(H2-,12,13,15,16)/p+1..updated |
4f40 | 5f 61 74 00 12 ee 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 10 ee 5e 46 50 01 00 00 | _at...^FP....created_at...^FP... |
4f60 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 60 | .default_fingerprint_size......` |
4f80 | 03 00 00 07 5f 69 64 00 56 16 1c 65 2b 72 ed 2b 40 00 00 1b 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..e+r.+@....warnings... |
4fa0 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 58 02 00 00 04 4d 50 32 44 00 4d 02 00 00 02 | ....fingerprints.X....MP2D.M.... |
4fc0 | 30 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 00 23 | 0.....1;1-1-3;2-1-3;2-1-11;..1.# |
4fe0 | 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d | ...3;1-1-1;1-1-3;1-1-11;2-1-3;2- |
5000 | 31 2d 31 31 3b 00 02 32 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d | 1-11;..2.#...3;1-1-3;1-1-11;2-1- |
5020 | 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 33 00 10 00 00 00 31 31 3b 31 2d 32 2d 33 3b | 1;2-1-3;2-1-11;..3.....11;1-2-3; |
5040 | 32 2d 33 2d 33 3b 00 02 34 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 | 2-3-3;..4.....3;1-2-3;1-1-11;2-3 |
5060 | 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 35 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 | -3;2-1-11;..5.....3;1-2-3;1-1-11 |
5080 | 3b 32 2d 33 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 36 00 16 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 | ;2-3-3;2-2-11;..6.....11;1-2-3;2 |
50a0 | 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 37 00 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | -1-1;2-3-3;..7.$...3;1-2-3;1-1-1 |
50c0 | 31 3b 32 2d 33 2d 33 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 02 38 00 24 00 00 00 31 31 | 1;2-3-3;2-2-11;2-1-13;..8.$...11 |
50e0 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 31 | ;1-2-3;1-1-13;2-2-3;2-1-6;2-1-11 |
5100 | 3b 00 02 39 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 23 00 | ;..9.....13;1-1-11;2-2-3;..10.#. |
5120 | 00 00 33 3b 31 2d 31 2d 36 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 | ..3;1-1-6;1-2-11;2-1-1;2-2-3;2-1 |
5140 | 2d 31 33 3b 00 02 31 31 00 10 00 00 00 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 32 | -13;..11.....6;1-1-3;2-2-11;..12 |
5160 | 00 23 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b | .#...11;1-1-1;1-2-3;2-2-3;2-1-6; |
5180 | 32 2d 31 2d 31 31 3b 00 02 31 33 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 | 2-1-11;..13.#...3;1-2-3;1-1-11;2 |
51a0 | 2d 31 2d 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 32 | -1-1;2-3-3;2-1-11;..14.....3;1-2 |
51c0 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 | -3;2-2-3;2-1-11;..15.....3;1-2-3 |
51e0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 36 00 10 00 00 00 31 3b 31 2d 31 2d 31 31 3b | ;2-2-3;2-1-11;..16.....1;1-1-11; |
5200 | 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 21 00 00 00 43 63 31 63 6e 63 32 63 28 6e 31 | 2-2-3;....smiles.!...Cc1cnc2c(n1 |
5220 | 29 63 31 5b 6e 48 5d 63 28 3d 4e 29 6e 28 63 31 63 63 32 29 43 00 02 69 6e 63 68 69 00 57 00 00 | )c1[nH]c(=N)n(c1cc2)C..inchi.W.. |
5240 | 00 49 6e 43 68 49 3d 31 53 2f 43 31 31 48 31 31 4e 35 2f 63 31 2d 36 2d 35 2d 31 33 2d 37 2d 33 | .InChI=1S/C11H11N5/c1-6-5-13-7-3 |
5260 | 2d 34 2d 38 2d 31 30 28 39 28 37 29 31 34 2d 36 29 31 35 2d 31 31 28 31 32 29 31 36 28 38 29 32 | -4-8-10(9(7)14-6)15-11(12)16(8)2 |
5280 | 2f 68 33 2d 35 48 2c 31 2d 32 48 33 2c 28 48 32 2c 31 32 2c 31 35 29 00 09 75 70 64 61 74 65 64 | /h3-5H,1-2H3,(H2,12,15)..updated |
52a0 | 5f 61 74 00 19 ee 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 18 ee 5e 46 50 01 00 00 | _at...^FP....created_at...^FP... |
52c0 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 34 | .default_fingerprint_size......4 |
52e0 | 03 00 00 07 5f 69 64 00 56 16 1c 65 2b 72 ed 2b 40 00 00 1c 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..e+r.+@....warnings... |
5300 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 33 02 00 00 04 4d 50 32 44 00 28 02 00 00 02 | ....fingerprints.3....MP2D.(.... |
5320 | 30 00 16 00 00 00 36 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 00 23 | 0.....6;1-1-3;2-1-3;2-1-11;..1.# |
5340 | 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d | ...3;1-1-3;1-1-6;1-1-11;2-2-3;2- |
5360 | 31 2d 31 33 3b 00 02 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 | 1-13;..2.....3;1-2-3;2-1-3;2-1-6 |
5380 | 3b 32 2d 31 2d 31 31 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | ;2-1-11;..3.....3;1-2-3;2-2-3;2- |
53a0 | 31 2d 36 3b 00 02 34 00 29 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 33 3b | 1-6;..4.)...3;1-2-3;1-1-6;2-1-3; |
53c0 | 32 2d 31 2d 36 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 35 00 2a 00 00 00 33 3b 31 2d | 2-1-6;2-1-11;2-1-19;..5.*...3;1- |
53e0 | 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d | 1-3;1-1-11;1-1-19;2-2-3;2-1-6;2- |
5400 | 31 2d 31 33 3b 00 02 36 00 24 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 32 | 1-13;..6.$...11;1-2-3;1-1-13;2-2 |
5420 | 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 37 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 | -3;2-1-6;2-1-19;..7.....13;1-1-1 |
5440 | 31 3b 32 2d 32 2d 33 3b 00 02 38 00 17 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 | 1;2-2-3;..8.....19;1-1-3;2-1-3;2 |
5460 | 2d 31 2d 31 31 3b 00 02 39 00 15 00 00 00 36 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 33 2d | -1-11;..9.....6;1-1-3;1-1-6;2-3- |
5480 | 33 3b 00 02 31 30 00 15 00 00 00 36 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 33 2d 33 3b 00 | 3;..10.....6;1-1-3;1-1-6;2-3-3;. |
54a0 | 02 31 31 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d | .11.....3;1-2-3;1-1-6;2-2-3;2-1- |
54c0 | 36 3b 00 02 31 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 | 6;..12.....3;1-2-3;2-2-3;2-1-6;. |
54e0 | 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f 00 00 00 33 | .13.....3;1-2-3;2-2-3;..14.....3 |
5500 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;1-2-3;2-2-3;..15.....3;1-2-3;2- |
5520 | 32 2d 33 3b 00 02 31 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 | 2-3;..16.....3;1-2-3;2-2-3;2-1-6 |
5540 | 3b 00 00 00 02 73 6d 69 6c 65 73 00 1e 00 00 00 4e 3d 63 31 63 63 63 28 63 28 5b 6e 48 5d 31 29 | ;....smiles.....N=c1ccc(c([nH]1) |
5560 | 4e 29 4e 3d 4e 63 31 63 63 63 63 63 31 00 02 69 6e 63 68 69 00 53 00 00 00 49 6e 43 68 49 3d 31 | N)N=Nc1ccccc1..inchi.S...InChI=1 |
5580 | 53 2f 43 31 31 48 31 31 4e 35 2f 63 31 32 2d 31 30 2d 37 2d 36 2d 39 28 31 31 28 31 33 29 31 34 | S/C11H11N5/c12-10-7-6-9(11(13)14 |
55a0 | 2d 31 30 29 31 36 2d 31 35 2d 38 2d 34 2d 32 2d 31 2d 33 2d 35 2d 38 2f 68 31 2d 37 48 2c 28 48 | -10)16-15-8-4-2-1-3-5-8/h1-7H,(H |
55c0 | 34 2c 31 32 2c 31 33 2c 31 34 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 21 ee 5e 46 50 01 00 00 | 4,12,13,14)..updated_at.!.^FP... |
55e0 | 09 63 72 65 61 74 65 64 5f 61 74 00 1f ee 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at...^FP....default_fin |
5600 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 cb 02 00 00 07 5f 69 64 00 56 16 1c 65 | gerprint_size..........._id.V..e |
5620 | 2b 72 ed 2b 40 00 00 1d 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.+@....warnings.......fingerpr |
5640 | 69 6e 74 73 00 dd 01 00 00 04 4d 50 32 44 00 d2 01 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d | ints......MP2D......0.....9;1-1- |
5660 | 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 | 3;2-1-3;2-1-11;..1.#...3;1-1-3;1 |
5680 | 2d 31 2d 39 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 00 1c 00 00 | -1-9;1-1-11;2-2-3;2-1-11;..2.... |
56a0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 31 3b 00 02 33 00 | .3;1-2-3;2-1-1;2-1-9;2-2-11;..3. |
56c0 | 29 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 | )...3;1-1-1;1-1-3;1-1-11;2-1-1;2 |
56e0 | 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 34 00 23 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 31 | -1-3;2-1-11;..4.#...11;1-1-1;1-1 |
5700 | 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 35 00 23 00 00 00 31 31 | -3;1-1-11;2-1-1;2-3-3;..5.#...11 |
5720 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 34 2d 33 3b 32 2d 31 2d 39 3b | ;1-2-3;1-1-11;2-1-1;2-4-3;2-1-9; |
5740 | 00 02 36 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 | ..6.....3;1-2-3;1-1-11;2-3-3;2-1 |
5760 | 2d 31 31 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 | -11;..7.....3;1-2-3;2-2-3;2-1-11 |
5780 | 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 33 | ;..8.....3;1-2-3;2-2-3;..9.....3 |
57a0 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;1-2-3;2-2-3;..10.....3;1-2-3;2- |
57c0 | 32 2d 33 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | 2-3;..11.....3;1-2-3;2-2-3;2-1-1 |
57e0 | 31 3b 00 02 31 32 00 17 00 00 00 31 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 | 1;..12.....1;1-1-11;2-1-3;2-1-11 |
5800 | 3b 00 02 31 33 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 | ;..13.....1;1-1-3;2-1-3;2-1-11;. |
5820 | 00 00 02 73 6d 69 6c 65 73 00 18 00 00 00 4f 3d 63 31 63 63 28 6e 28 6e 31 63 31 63 63 63 63 63 | ...smiles.....O=c1cc(n(n1c1ccccc |
5840 | 31 29 43 29 43 00 02 69 6e 63 68 69 00 46 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 31 48 31 32 | 1)C)C..inchi.F...InChI=1S/C11H12 |
5860 | 4e 32 4f 2f 63 31 2d 39 2d 38 2d 31 31 28 31 34 29 31 33 28 31 32 28 39 29 32 29 31 30 2d 36 2d | N2O/c1-9-8-11(14)13(12(9)2)10-6- |
5880 | 34 2d 33 2d 35 2d 37 2d 31 30 2f 68 33 2d 38 48 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f | 4-3-5-7-10/h3-8H,1-2H3..updated_ |
58a0 | 61 74 00 28 ee 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 26 ee 5e 46 50 01 00 00 10 | at.(.^FP....created_at.&.^FP.... |
58c0 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 33 04 | default_fingerprint_size......3. |
58e0 | 00 00 07 5f 69 64 00 56 16 1c 65 2b 72 ed 2b 40 00 00 1e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V..e+r.+@....warnings.... |
5900 | 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 14 03 00 00 04 4d 50 32 44 00 09 03 00 00 02 30 | ...fingerprints......MP2D......0 |
5920 | 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 31 00 0f 00 00 00 35 3b 31 2d 33 | .....1;1-1-5;2-2-1;..1.....5;1-3 |
5940 | 2d 31 3b 32 2d 31 2d 36 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 31 2d 35 3b 31 2d 31 2d 36 3b 32 | -1;2-1-6;..2.....1;1-1-5;1-1-6;2 |
5960 | 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 00 22 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 | -2-1;2-1-3;..3."...6;1-1-1;1-1-3 |
5980 | 3b 32 2d 31 2d 35 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 34 00 30 00 00 00 33 3b 31 2d | ;2-1-5;2-1-9;2-1-11;..4.0...3;1- |
59a0 | 31 2d 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 | 1-6;1-1-9;1-1-11;2-1-1;2-1-3;2-1 |
59c0 | 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 02 35 00 2a 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d | -11;2-1-13;..5.*...11;1-1-3;1-1- |
59e0 | 31 31 3b 31 2d 31 2d 31 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 36 00 | 11;1-1-13;2-1-3;2-1-6;2-1-9;..6. |
5a00 | 18 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 37 00 2a | ....13;1-1-11;2-1-3;2-1-11;..7.* |
5a20 | 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 | ...11;1-1-3;1-1-11;2-1-2;2-1-3;2 |
5a40 | 2d 31 2d 39 3b 32 2d 31 2d 31 33 3b 00 02 38 00 29 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 31 2d | -1-9;2-1-13;..8.)...3;1-1-2;1-1- |
5a60 | 39 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 39 00 | 9;1-1-11;2-1-2;2-1-3;2-1-11;..9. |
5a80 | 1c 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 32 2d 31 31 3b 00 | ....9;1-2-3;2-1-2;2-1-6;2-2-11;. |
5aa0 | 02 31 30 00 22 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d | .10."...2;1-1-2;1-1-3;2-1-3;2-1- |
5ac0 | 39 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 1b 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b | 9;2-1-11;..11.....2;1-1-2;1-1-3; |
5ae0 | 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 32 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 31 | 2-2-3;2-1-9;..12.!...3;1-1-2;1-1 |
5b00 | 2d 33 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 33 00 1b 00 00 00 33 3b | -3;1-1-9;2-1-2;2-2-3;..13.....3; |
5b20 | 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 34 00 1c 00 00 | 1-2-3;2-1-2;2-1-3;2-1-9;..14.... |
5b40 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 35 | .3;1-2-3;2-1-3;2-1-9;2-1-19;..15 |
5b60 | 00 22 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b | ."...3;1-1-3;1-1-9;1-1-19;2-2-3; |
5b80 | 32 2d 32 2d 39 3b 00 02 31 36 00 1c 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 | 2-2-9;..16.....9;1-2-3;2-1-2;2-2 |
5ba0 | 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 37 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d | -3;2-1-19;..17.....19;1-1-3;1-2- |
5bc0 | 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 38 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b | 9;2-1-3;2-1-9;..18.....9;1-1-19; |
5be0 | 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 39 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d | 2-1-3;2-1-9;..19.....9;1-1-19;2- |
5c00 | 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 30 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 | 1-3;2-1-9;..20.....1;1-1-5;2-2-1 |
5c20 | 3b 00 00 00 02 73 6d 69 6c 65 73 00 28 00 00 00 43 4e 28 43 4e 3d 63 31 5b 6e 48 5d 6e 63 28 6f | ;....smiles.(...CN(CN=c1[nH]nc(o |
5c40 | 31 29 43 3d 43 63 31 63 63 63 28 6f 31 29 4e 28 3d 4f 29 3d 4f 29 43 00 02 69 6e 63 68 69 00 67 | 1)C=Cc1ccc(o1)N(=O)=O)C..inchi.g |
5c60 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 31 48 31 33 4e 35 4f 34 2f 63 31 2d 31 35 28 32 29 37 | ...InChI=1S/C11H13N5O4/c1-15(2)7 |
5c80 | 2d 31 32 2d 31 31 2d 31 34 2d 31 33 2d 39 28 32 30 2d 31 31 29 35 2d 33 2d 38 2d 34 2d 36 2d 31 | -12-11-14-13-9(20-11)5-3-8-4-6-1 |
5ca0 | 30 28 31 39 2d 38 29 31 36 28 31 37 29 31 38 2f 68 33 2d 36 48 2c 37 48 32 2c 31 2d 32 48 33 2c | 0(19-8)16(17)18/h3-6H,7H2,1-2H3, |
5cc0 | 28 48 2c 31 32 2c 31 34 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 30 ee 5e 46 50 01 00 00 09 63 | (H,12,14)..updated_at.0.^FP....c |
5ce0 | 72 65 61 74 65 64 5f 61 74 00 2e ee 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at...^FP....default_finge |
5d00 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 2f 03 00 00 07 5f 69 64 00 56 16 1c 65 2b 72 | rprint_size....../...._id.V..e+r |
5d20 | ed 2b 40 00 00 1f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .+@....warnings.......fingerprin |
5d40 | 74 73 00 36 02 00 00 04 4d 50 32 44 00 2b 02 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b | ts.6....MP2D.+....0.....9;1-1-6; |
5d60 | 32 2d 31 2d 32 38 3b 00 02 31 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d | 2-1-28;..1.....6;1-1-9;1-1-28;2- |
5d80 | 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 22 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | 1-1;2-1-2;..2."...28;1-1-1;1-1-2 |
5da0 | 3b 31 2d 31 2d 36 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 33 00 28 00 00 00 32 3b 31 2d 31 | ;1-1-6;2-1-8;2-2-9;..3.(...2;1-1 |
5dc0 | 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d | -8;1-1-9;1-1-28;2-1-1;2-1-3;2-1- |
5de0 | 36 3b 00 02 34 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 | 6;..4.....9;1-1-2;2-1-8;2-1-28;. |
5e00 | 02 35 00 22 00 00 00 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 | .5."...8;1-1-2;1-1-3;2-2-3;2-1-9 |
5e20 | 3b 32 2d 31 2d 32 38 3b 00 02 36 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d | ;2-1-28;..6.!...3;1-2-3;1-1-8;2- |
5e40 | 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | 1-2;2-2-3;2-1-8;..7.....3;1-2-3; |
5e60 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-2-3;2-1-8;..8.....3;1-2-3;2-2- |
5e80 | 33 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 15 00 00 | 3;..9.....3;1-2-3;2-2-3;..10.... |
5ea0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 31 00 21 00 00 00 33 3b | .3;1-2-3;2-2-3;2-1-8;..11.!...3; |
5ec0 | 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 | 1-2-3;1-1-8;2-1-1;2-2-3;2-1-8;.. |
5ee0 | 31 32 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 | 12.....8;1-1-1;1-1-3;2-2-1;2-2-3 |
5f00 | 3b 00 02 31 33 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 | ;..13.....1;1-2-1;1-1-8;2-1-3;.. |
5f20 | 31 34 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 35 00 | 14.....1;1-1-1;2-1-1;2-1-8;..15. |
5f40 | 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 36 00 16 00 00 | ....1;1-1-1;2-1-1;2-1-8;..16.... |
5f60 | 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 | .1;1-1-28;2-1-2;2-1-6;....smiles |
5f80 | 00 1c 00 00 00 4f 3d 4e 4e 28 43 28 3d 4f 29 4f 63 31 63 63 63 63 63 31 4f 43 28 43 29 43 29 43 | .....O=NN(C(=O)Oc1ccccc1OC(C)C)C |
5fa0 | 00 02 69 6e 63 68 69 00 4d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 31 48 31 34 4e 32 4f 34 2f | ..inchi.M...InChI=1S/C11H14N2O4/ |
5fc0 | 63 31 2d 38 28 32 29 31 36 2d 39 2d 36 2d 34 2d 35 2d 37 2d 31 30 28 39 29 31 37 2d 31 31 28 31 | c1-8(2)16-9-6-4-5-7-10(9)17-11(1 |
5fe0 | 34 29 31 33 28 33 29 31 32 2d 31 35 2f 68 34 2d 38 48 2c 31 2d 33 48 33 00 09 75 70 64 61 74 65 | 4)13(3)12-15/h4-8H,1-3H3..update |
6000 | 64 5f 61 74 00 36 ee 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 35 ee 5e 46 50 01 00 | d_at.6.^FP....created_at.5.^FP.. |
6020 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 | ..default_fingerprint_size...... |
6040 | 21 03 00 00 07 5f 69 64 00 56 16 1c 65 2b 72 ed 2b 40 00 00 20 04 77 61 72 6e 69 6e 67 73 00 05 | !...._id.V..e+r.+@....warnings.. |
6060 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 11 02 00 00 04 4d 50 32 44 00 06 02 00 00 | .....fingerprints......MP2D..... |
6080 | 02 30 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 31 00 15 | .0.....9;1-1-2;2-1-6;2-1-9;..1.. |
60a0 | 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 32 2d 39 3b 32 2d 31 2d 31 3b 00 02 32 00 0f 00 00 00 36 | ...2;1-1-6;1-2-9;2-1-1;..2.....6 |
60c0 | 3b 31 2d 31 2d 32 3b 32 2d 32 2d 39 3b 00 02 33 00 21 00 00 00 39 3b 31 2d 31 2d 31 3b 31 2d 31 | ;1-1-2;2-2-9;..3.!...9;1-1-1;1-1 |
60e0 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 34 00 21 00 00 00 31 3b 31 | -2;2-1-1;2-1-6;2-1-9;..4.!...1;1 |
6100 | 2d 31 2d 31 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 35 | -1-1;1-1-9;2-1-1;2-1-2;2-1-3;..5 |
6120 | 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 | .....1;1-2-1;1-1-3;2-2-3;2-2-9;. |
6140 | 02 36 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 | .6.....3;1-1-1;1-2-3;2-2-1;2-2-3 |
6160 | 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 | ;..7.....3;1-2-3;2-1-1;2-2-3;..8 |
6180 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 | .....3;1-2-3;2-2-3;..9.....3;1-2 |
61a0 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | -3;2-2-3;..10.....3;1-2-3;2-2-3; |
61c0 | 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 | ..11.....3;1-2-3;2-1-1;2-2-3;..1 |
61e0 | 32 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b | 2.!...1;1-1-1;1-1-9;2-1-1;2-1-2; |
6200 | 32 2d 31 2d 33 3b 00 02 31 33 00 21 00 00 00 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 | 2-1-3;..13.!...9;1-1-1;1-1-2;2-1 |
6220 | 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 31 34 00 15 00 00 00 32 3b 31 2d 31 2d 36 3b | -1;2-1-6;2-1-9;..14.....2;1-1-6; |
6240 | 31 2d 32 2d 39 3b 32 2d 31 2d 31 3b 00 02 31 35 00 0f 00 00 00 36 3b 31 2d 31 2d 32 3b 32 2d 32 | 1-2-9;2-1-1;..15.....6;1-1-2;2-2 |
6260 | 2d 39 3b 00 02 31 36 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b | -9;..16.....9;1-1-2;2-1-6;2-1-9; |
6280 | 00 00 00 02 73 6d 69 6c 65 73 00 1c 00 00 00 4f 43 28 3d 4e 29 4f 43 43 28 63 31 63 63 63 63 63 | ....smiles.....OC(=N)OCC(c1ccccc |
62a0 | 31 29 43 4f 43 28 3d 4e 29 4f 00 02 69 6e 63 68 69 00 64 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | 1)COC(=N)O..inchi.d...InChI=1S/C |
62c0 | 31 31 48 31 34 4e 32 4f 34 2f 63 31 32 2d 31 30 28 31 34 29 31 36 2d 36 2d 39 28 37 2d 31 37 2d | 11H14N2O4/c12-10(14)16-6-9(7-17- |
62e0 | 31 31 28 31 33 29 31 35 29 38 2d 34 2d 32 2d 31 2d 33 2d 35 2d 38 2f 68 31 2d 35 2c 39 48 2c 36 | 11(13)15)8-4-2-1-3-5-8/h1-5,9H,6 |
6300 | 2d 37 48 32 2c 28 48 32 2c 31 32 2c 31 34 29 28 48 32 2c 31 33 2c 31 35 29 00 09 75 70 64 61 74 | -7H2,(H2,12,14)(H2,13,15)..updat |
6320 | 65 64 5f 61 74 00 3d ee 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 3c ee 5e 46 50 01 | ed_at.=.^FP....created_at.<.^FP. |
6340 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
6360 | 00 83 02 00 00 07 5f 69 64 00 56 16 1c 65 2b 72 ed 2b 40 00 00 21 04 77 61 72 6e 69 6e 67 73 00 | ......_id.V..e+r.+@..!.warnings. |
6380 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 97 01 00 00 04 4d 50 32 44 00 8c 01 00 | ......fingerprints......MP2D.... |
63a0 | 00 02 30 00 0f 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 00 02 31 00 15 00 00 00 32 3b | ..0.....2;1-1-2;2-1-1;..1.....2; |
63c0 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 31 2d | 1-1-1;1-1-2;2-1-3;..2.....1;1-1- |
63e0 | 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 33 00 1b 00 00 00 33 3b 31 2d | 2;1-1-3;2-1-2;2-2-3;..3.....3;1- |
6400 | 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 00 15 00 00 00 33 3b | 1-1;1-2-3;2-1-2;2-2-3;..4.....3; |
6420 | 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d | 1-2-3;2-1-1;2-2-3;..5.....3;1-2- |
6440 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 3;2-2-3;2-1-8;..6.!...3;1-2-3;1- |
6460 | 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 21 00 00 00 33 3b | 1-8;2-1-1;2-2-3;2-1-8;..7.!...3; |
6480 | 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 | 1-2-3;1-1-8;2-1-1;2-2-3;2-1-8;.. |
64a0 | 38 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b | 8.....3;1-2-3;2-1-1;2-2-3;2-1-8; |
64c0 | 00 02 39 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 | ..9.....8;1-1-1;1-1-3;2-2-3;..10 |
64e0 | 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 31 00 15 00 00 00 38 3b 31 2d | .....1;1-1-8;2-1-3;..11.....8;1- |
6500 | 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 0f 00 00 00 31 3b 31 2d 31 2d 38 | 1-1;1-1-3;2-2-3;..12.....1;1-1-8 |
6520 | 3b 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 15 00 00 00 43 3d 43 43 63 31 63 63 63 28 | ;2-1-3;....smiles.....C=CCc1ccc( |
6540 | 63 28 63 31 29 4f 43 29 4f 43 00 02 69 6e 63 68 69 00 47 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | c(c1)OC)OC..inchi.G...InChI=1S/C |
6560 | 31 31 48 31 34 4f 32 2f 63 31 2d 34 2d 35 2d 39 2d 36 2d 37 2d 31 30 28 31 32 2d 32 29 31 31 28 | 11H14O2/c1-4-5-9-6-7-10(12-2)11( |
6580 | 38 2d 39 29 31 33 2d 33 2f 68 34 2c 36 2d 38 48 2c 31 2c 35 48 32 2c 32 2d 33 48 33 00 09 75 70 | 8-9)13-3/h4,6-8H,1,5H2,2-3H3..up |
65a0 | 64 61 74 65 64 5f 61 74 00 44 ee 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 42 ee 5e | dated_at.D.^FP....created_at.B.^ |
65c0 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
65e0 | 00 00 00 00 b3 03 00 00 07 5f 69 64 00 56 16 1c 65 2b 72 ed 2b 40 00 00 22 04 77 61 72 6e 69 6e | ........._id.V..e+r.+@..".warnin |
6600 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 95 02 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
6620 | 8a 02 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b | .....0.....9;1-1-2;2-1-1;2-1-28; |
6640 | 00 02 31 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 | ..1."...2;1-1-1;1-1-9;1-1-28;2-1 |
6660 | 2d 32 3b 32 2d 31 2d 35 3b 00 02 32 00 16 00 00 00 32 38 3b 31 2d 32 2d 32 3b 32 2d 32 2d 31 3b | -2;2-1-5;..2.....28;1-2-2;2-2-1; |
6680 | 32 2d 32 2d 39 3b 00 02 33 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d | 2-2-9;..3."...2;1-1-1;1-1-9;1-1- |
66a0 | 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 35 3b 00 02 34 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 | 28;2-1-2;2-1-5;..4.....9;1-1-2;2 |
66c0 | 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 35 00 22 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d | -1-1;2-1-28;..5."...1;1-1-2;1-1- |
66e0 | 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 36 00 15 00 00 00 35 3b 31 | 5;2-2-1;2-1-9;2-1-28;..6.....5;1 |
6700 | 2d 33 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 37 00 22 00 00 00 31 3b 31 2d 31 2d 32 | -3-1;2-1-1;2-2-2;..7."...1;1-1-2 |
6720 | 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 38 00 15 00 | ;1-1-5;2-2-1;2-1-9;2-1-28;..8... |
6740 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 33 2d 31 3b 00 02 39 00 0f 00 00 00 31 3b | ..1;1-1-1;1-1-5;2-3-1;..9.....1; |
6760 | 31 2d 32 2d 31 3b 32 2d 32 2d 35 3b 00 02 31 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | 1-2-1;2-2-5;..10.....1;1-1-1;1-1 |
6780 | 2d 35 3b 32 2d 33 2d 31 3b 00 02 31 31 00 15 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b | -5;2-3-1;..11.....5;1-3-1;2-1-1; |
67a0 | 32 2d 32 2d 32 3b 00 02 31 32 00 22 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 35 3b 32 2d 32 | 2-2-2;..12."...1;1-1-2;1-1-5;2-2 |
67c0 | 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 22 00 00 00 32 3b 31 2d 31 2d 31 | -1;2-1-9;2-1-28;..13."...2;1-1-1 |
67e0 | 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 35 3b 00 02 31 34 00 16 | ;1-1-9;1-1-28;2-1-2;2-1-5;..14.. |
6800 | 00 00 00 32 38 3b 31 2d 32 2d 32 3b 32 2d 32 2d 31 3b 32 2d 32 2d 39 3b 00 02 31 35 00 22 00 00 | ...28;1-2-2;2-2-1;2-2-9;..15.".. |
6820 | 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d | .2;1-1-1;1-1-9;1-1-28;2-1-2;2-1- |
6840 | 35 3b 00 02 31 36 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b | 5;..16.....9;1-1-2;2-1-1;2-1-28; |
6860 | 00 02 31 37 00 22 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 | ..17."...1;1-1-2;1-1-5;2-2-1;2-1 |
6880 | 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 38 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 | -9;2-1-28;..18.....9;1-1-2;2-1-1 |
68a0 | 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 24 00 00 00 4f 43 31 3d 4e 43 28 3d 4f | ;2-1-28;....smiles.$...OC1=NC(=O |
68c0 | 29 43 4e 28 43 31 29 43 43 43 4e 31 43 43 28 3d 4e 43 28 3d 4f 29 43 31 29 4f 00 02 69 6e 63 68 | )CN(C1)CCCN1CC(=NC(=O)C1)O..inch |
68e0 | 69 00 6a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 31 48 31 36 4e 34 4f 34 2f 63 31 36 2d 38 2d | i.j...InChI=1S/C11H16N4O4/c16-8- |
6900 | 34 2d 31 34 28 35 2d 39 28 31 37 29 31 32 2d 38 29 32 2d 31 2d 33 2d 31 35 2d 36 2d 31 30 28 31 | 4-14(5-9(17)12-8)2-1-3-15-6-10(1 |
6920 | 38 29 31 33 2d 31 31 28 31 39 29 37 2d 31 35 2f 68 31 2d 37 48 32 2c 28 48 2c 31 32 2c 31 36 2c | 8)13-11(19)7-15/h1-7H2,(H,12,16, |
6940 | 31 37 29 28 48 2c 31 33 2c 31 38 2c 31 39 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 4b ee 5e 46 | 17)(H,13,18,19)..updated_at.K.^F |
6960 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 49 ee 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at.I.^FP....default |
6980 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 5a 04 00 00 07 5f 69 64 00 | _fingerprint_size......Z...._id. |
69a0 | 56 16 1c 65 2b 72 ed 2b 40 00 00 23 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..e+r.+@..#.warnings.......fing |
69c0 | 65 72 70 72 69 6e 74 73 00 29 03 00 00 04 4d 50 32 44 00 1e 03 00 00 02 30 00 15 00 00 00 39 3b | erprints.)....MP2D......0.....9; |
69e0 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 00 1b 00 00 00 32 3b 31 2d 31 2d | 1-1-2;2-1-1;2-1-6;..1.....2;1-1- |
6a00 | 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 00 02 32 00 15 00 00 00 36 3b 31 2d | 1;1-1-6;1-1-9;2-1-1;..2.....6;1- |
6a20 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b | 1-2;2-1-1;2-1-9;..3.!...1;1-1-1; |
6a40 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 34 00 15 00 00 00 | 1-1-2;2-1-1;2-1-6;2-1-9;..4..... |
6a60 | 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 35 00 16 00 00 00 31 3b 31 2d | 1;1-2-1;2-1-1;2-1-2;..5.....1;1- |
6a80 | 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 31 3b 00 02 36 00 23 00 00 00 31 3b 31 2d 31 2d 31 | 2-1;2-1-1;2-1-11;..6.#...1;1-1-1 |
6aa0 | 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 37 00 2a | ;1-1-11;2-1-1;2-1-3;2-1-11;..7.* |
6ac0 | 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 | ...11;1-1-1;1-1-3;1-1-11;2-1-1;2 |
6ae0 | 2d 32 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 38 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d | -2-3;2-1-13;..8.#...3;1-1-3;1-1- |
6b00 | 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 39 00 17 00 00 00 33 3b | 11;2-1-1;2-1-3;2-1-11;..9.....3; |
6b20 | 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 32 00 00 00 33 3b 31 | 1-2-3;2-2-11;2-1-19;..10.2...3;1 |
6b40 | 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b | -1-3;1-1-11;1-1-19;2-1-3;2-1-11; |
6b60 | 32 2d 31 2d 31 33 3b 32 2d 31 2d 33 33 3b 00 02 31 31 00 25 00 00 00 31 39 3b 31 2d 31 2d 33 3b | 2-1-13;2-1-33;..11.%...19;1-1-3; |
6b80 | 31 2d 31 2d 33 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 32 2d 31 39 3b 00 02 31 32 00 | 1-1-33;2-1-3;2-1-11;2-2-19;..12. |
6ba0 | 17 00 00 00 33 33 3b 31 2d 33 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 33 00 12 | ....33;1-3-19;2-1-1;2-1-3;..13.. |
6bc0 | 00 00 00 31 39 3b 31 2d 31 2d 33 33 3b 32 2d 32 2d 31 39 3b 00 02 31 34 00 1e 00 00 00 31 39 3b | ...19;1-1-33;2-2-19;..14.....19; |
6be0 | 31 2d 31 2d 31 3b 31 2d 31 2d 33 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 39 3b 00 02 31 35 00 1e | 1-1-1;1-1-33;2-1-1;2-2-19;..15.. |
6c00 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 33 2d 31 36 3b 32 2d 31 2d 33 33 3b | ...1;1-1-1;1-1-19;2-3-16;2-1-33; |
6c20 | 00 02 31 36 00 17 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 33 2d 31 36 3b 32 2d 31 2d 31 39 3b 00 | ..16.....1;1-1-1;1-3-16;2-1-19;. |
6c40 | 02 31 37 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 36 3b 00 02 | .17.....16;1-1-1;2-1-1;2-2-16;.. |
6c60 | 31 38 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 36 3b 00 02 31 | 18.....16;1-1-1;2-1-1;2-2-16;..1 |
6c80 | 39 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 36 3b 00 02 32 30 | 9.....16;1-1-1;2-1-1;2-2-16;..20 |
6ca0 | 00 2b 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 33 3b 32 2d 31 2d | .+...11;1-1-3;1-1-11;1-1-13;2-1- |
6cc0 | 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 32 31 00 18 00 00 00 31 33 3b 31 2d 31 2d 31 | 1;2-2-3;2-1-19;..21.....13;1-1-1 |
6ce0 | 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 28 00 00 00 4f 43 | 1;2-1-3;2-1-11;....smiles.(...OC |
6d00 | 28 3d 4e 29 43 43 43 43 6e 31 63 63 63 28 3d 4e 43 28 3d 4e 29 4e 43 43 28 46 29 28 46 29 46 29 | (=N)CCCCn1ccc(=NC(=N)NCC(F)(F)F) |
6d20 | 5b 6e 48 5d 31 00 02 69 6e 63 68 69 00 79 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 31 48 31 37 | [nH]1..inchi.y...InChI=1S/C11H17 |
6d40 | 46 33 4e 36 4f 2f 63 31 32 2d 31 31 28 31 33 2c 31 34 29 37 2d 31 37 2d 31 30 28 31 36 29 31 38 | F3N6O/c12-11(13,14)7-17-10(16)18 |
6d60 | 2d 39 2d 34 2d 36 2d 32 30 28 31 39 2d 39 29 35 2d 32 2d 31 2d 33 2d 38 28 31 35 29 32 31 2f 68 | -9-4-6-20(19-9)5-2-1-3-8(15)21/h |
6d80 | 34 2c 36 48 2c 31 2d 33 2c 35 2c 37 48 32 2c 28 48 32 2c 31 35 2c 32 31 29 28 48 33 2c 31 36 2c | 4,6H,1-3,5,7H2,(H2,15,21)(H3,16, |
6da0 | 31 37 2c 31 38 2c 31 39 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 52 ee 5e 46 50 01 00 00 09 63 | 17,18,19)..updated_at.R.^FP....c |
6dc0 | 72 65 61 74 65 64 5f 61 74 00 50 ee 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.P.^FP....default_finge |
6de0 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 6a 02 00 00 07 5f 69 64 00 56 16 1c 65 2b 72 | rprint_size......j...._id.V..e+r |
6e00 | ed 2b 40 00 00 24 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .+@..$.warnings.......fingerprin |
6e20 | 74 73 00 7e 01 00 00 04 4d 50 32 44 00 73 01 00 00 02 30 00 0f 00 00 00 35 3b 31 2d 31 2d 31 3b | ts.~....MP2D.s....0.....5;1-1-1; |
6e40 | 32 2d 31 2d 31 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d | 2-1-1;..1.....1;1-1-1;1-1-5;2-1- |
6e60 | 31 3b 00 02 32 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 | 1;..2.....1;1-2-1;2-1-1;2-1-5;.. |
6e80 | 33 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 34 00 0f 00 00 00 31 3b 31 2d | 3.....1;1-2-1;2-2-1;..4.....1;1- |
6ea0 | 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 35 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b | 2-1;2-2-1;..5.....1;1-2-1;2-2-1; |
6ec0 | 00 02 36 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 37 00 0f 00 00 00 31 3b | ..6.....1;1-2-1;2-2-1;..7.....1; |
6ee0 | 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d | 1-2-1;2-2-1;..8.....1;1-2-1;2-2- |
6f00 | 31 3b 00 02 39 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 | 1;..9.....1;1-2-1;2-1-1;2-1-2;.. |
6f20 | 31 30 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | 10.....1;1-1-1;1-1-2;2-1-1;2-2-3 |
6f40 | 32 3b 00 02 31 31 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d 31 3b | 2;..11.....2;1-1-1;1-2-32;2-1-1; |
6f60 | 00 02 31 32 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 | ..12.....32;1-1-2;2-1-1;2-1-32;. |
6f80 | 02 31 33 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 00 | .13.....32;1-1-2;2-1-1;2-1-32;.. |
6fa0 | 00 02 73 6d 69 6c 65 73 00 12 00 00 00 4e 43 43 43 43 43 43 43 43 43 43 43 28 3d 4f 29 4f 00 02 | ..smiles.....NCCCCCCCCCCC(=O)O.. |
6fc0 | 69 6e 63 68 69 00 4a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 31 48 32 33 4e 4f 32 2f 63 31 32 | inchi.J...InChI=1S/C11H23NO2/c12 |
6fe0 | 2d 31 30 2d 38 2d 36 2d 34 2d 32 2d 31 2d 33 2d 35 2d 37 2d 39 2d 31 31 28 31 33 29 31 34 2f 68 | -10-8-6-4-2-1-3-5-7-9-11(13)14/h |
7000 | 31 2d 31 30 2c 31 32 48 32 2c 28 48 2c 31 33 2c 31 34 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 | 1-10,12H2,(H,13,14)..updated_at. |
7020 | 59 ee 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 57 ee 5e 46 50 01 00 00 10 64 65 66 | Y.^FP....created_at.W.^FP....def |
7040 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 5d 02 00 00 07 | ault_fingerprint_size......].... |
7060 | 5f 69 64 00 56 16 1c 65 2b 72 ed 2b 40 00 00 25 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..e+r.+@..%.warnings....... |
7080 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 78 01 00 00 04 4d 50 32 44 00 6d 01 00 00 02 30 00 0f 00 | fingerprints.x....MP2D.m....0... |
70a0 | 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b | ..1;1-1-1;2-1-1;..1.....1;1-2-1; |
70c0 | 32 2d 31 2d 31 3b 00 02 32 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 00 | 2-1-1;..2.....1;1-2-1;2-2-1;..3. |
70e0 | 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 34 00 0f 00 00 00 31 3b 31 2d 32 2d | ....1;1-2-1;2-2-1;..4.....1;1-2- |
7100 | 31 3b 32 2d 32 2d 31 3b 00 02 35 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 | 1;2-2-1;..5.....1;1-2-1;2-2-1;.. |
7120 | 36 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d | 6.....1;1-2-1;2-2-1;..7.....1;1- |
7140 | 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 38 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b | 2-1;2-2-1;..8.....1;1-2-1;2-1-1; |
7160 | 32 2d 31 2d 31 39 3b 00 02 39 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d | 2-1-19;..9.....1;1-1-1;1-1-19;2- |
7180 | 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 30 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d | 2-1;2-1-6;..10.....19;1-2-1;1-1- |
71a0 | 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 31 31 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 | 6;2-1-1;2-1-9;..11.....6;1-1-9;1 |
71c0 | 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 31 32 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 | -1-19;2-2-1;..12.....9;1-1-6;2-1 |
71e0 | 2d 31 39 3b 00 02 31 33 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d | -19;..13.....1;1-1-19;2-1-1;2-1- |
7200 | 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 12 00 00 00 43 43 43 43 43 43 43 43 43 43 4e 28 4e 3d 4f | 6;....smiles.....CCCCCCCCCCN(N=O |
7220 | 29 43 00 02 69 6e 63 68 69 00 43 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 31 48 32 34 4e 32 4f | )C..inchi.C...InChI=1S/C11H24N2O |
7240 | 2f 63 31 2d 33 2d 34 2d 35 2d 36 2d 37 2d 38 2d 39 2d 31 30 2d 31 31 2d 31 33 28 32 29 31 32 2d | /c1-3-4-5-6-7-8-9-10-11-13(2)12- |
7260 | 31 34 2f 68 33 2d 31 31 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 5f ee 5e | 14/h3-11H2,1-2H3..updated_at._.^ |
7280 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 5d ee 5e 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at.].^FP....defaul |
72a0 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 85 03 00 00 07 5f 69 64 | t_fingerprint_size..........._id |
72c0 | 00 56 16 1c 65 2b 72 ed 2b 40 00 00 26 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..e+r.+@..&.warnings.......fin |
72e0 | 67 65 72 70 72 69 6e 74 73 00 7c 02 00 00 04 4d 50 32 44 00 71 02 00 00 02 30 00 15 00 00 00 39 | gerprints.|....MP2D.q....0.....9 |
7300 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 31 00 21 00 00 00 32 3b 31 2d 31 | ;1-1-2;2-1-2;2-1-6;..1.!...2;1-1 |
7320 | 2d 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 32 00 15 | -2;1-1-6;1-1-9;2-1-2;2-1-3;..2.. |
7340 | 00 00 00 36 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 33 00 21 00 00 00 32 | ...6;1-1-2;2-1-2;2-1-9;..3.!...2 |
7360 | 3b 31 2d 32 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 32 2d 39 3b 00 | ;1-2-2;1-1-3;2-2-3;2-1-6;2-2-9;. |
7380 | 02 34 00 21 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 | .4.!...2;1-1-2;1-1-3;2-1-2;2-2-3 |
73a0 | 3b 32 2d 31 2d 39 3b 00 02 35 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 | ;2-1-9;..5.!...3;1-1-2;1-1-3;1-1 |
73c0 | 2d 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | -9;2-1-2;2-2-3;..6.....3;1-2-3;2 |
73e0 | 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 | -1-2;2-1-3;2-1-9;..7.....3;1-2-3 |
7400 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 38 00 22 00 00 00 33 3b 31 2d | ;2-1-3;2-1-9;2-1-19;..8."...3;1- |
7420 | 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 39 | 1-3;1-1-9;1-1-19;2-2-3;2-2-9;..9 |
7440 | 00 1c 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b | .....9;1-2-3;2-1-2;2-2-3;2-1-19; |
7460 | 00 02 31 30 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 31 2d 33 3b 32 2d | ..10.....19;1-1-3;1-2-9;2-1-3;2- |
7480 | 31 2d 39 3b 00 02 31 31 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d | 1-9;..11.....9;1-1-19;2-1-3;2-1- |
74a0 | 39 3b 00 02 31 32 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b | 9;..12.....9;1-1-19;2-1-3;2-1-9; |
74c0 | 00 02 31 33 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 | ..13.!...3;1-1-2;1-1-3;1-1-9;2-2 |
74e0 | 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 34 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b | -2;2-2-3;..14.....3;1-2-3;2-1-2; |
7500 | 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | 2-1-3;2-1-9;..15.....3;1-2-3;2-1 |
7520 | 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 36 00 15 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b | -3;2-1-9;..16.....3;1-1-3;1-1-9; |
7540 | 32 2d 32 2d 33 3b 00 02 31 37 00 15 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 | 2-2-3;..17.....9;1-2-3;2-1-2;2-2 |
7560 | 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 23 00 00 00 4f 43 28 3d 4e 29 43 28 3d 43 63 31 63 63 | -3;....smiles.#...OC(=N)C(=Cc1cc |
7580 | 63 28 6f 31 29 4e 28 3d 4f 29 3d 4f 29 63 31 63 63 63 6f 31 00 02 69 6e 63 68 69 00 56 00 00 00 | c(o1)N(=O)=O)c1ccco1..inchi.V... |
75a0 | 49 6e 43 68 49 3d 31 53 2f 43 31 31 48 38 4e 32 4f 35 2f 63 31 32 2d 31 31 28 31 34 29 38 28 39 | InChI=1S/C11H8N2O5/c12-11(14)8(9 |
75c0 | 2d 32 2d 31 2d 35 2d 31 37 2d 39 29 36 2d 37 2d 33 2d 34 2d 31 30 28 31 38 2d 37 29 31 33 28 31 | -2-1-5-17-9)6-7-3-4-10(18-7)13(1 |
75e0 | 35 29 31 36 2f 68 31 2d 36 48 2c 28 48 32 2c 31 32 2c 31 34 29 00 09 75 70 64 61 74 65 64 5f 61 | 5)16/h1-6H,(H2,12,14)..updated_a |
7600 | 74 00 66 ee 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 64 ee 5e 46 50 01 00 00 10 64 | t.f.^FP....created_at.d.^FP....d |
7620 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 0a 03 00 | efault_fingerprint_size......... |
7640 | 00 07 5f 69 64 00 56 16 1c 65 2b 72 ed 2b 40 00 00 27 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V..e+r.+@..'.warnings..... |
7660 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 0a 02 00 00 04 4d 50 32 44 00 ff 01 00 00 02 30 00 | ..fingerprints......MP2D......0. |
7680 | 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 38 3b 31 2d 31 2d | ....1;1-1-8;2-1-3;..1.....8;1-1- |
76a0 | 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 1;1-1-3;2-2-3;..2.....3;1-2-3;1- |
76c0 | 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | 1-8;2-1-1;2-2-3;..3.....3;1-2-3; |
76e0 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 2-2-3;2-1-8;..4.....3;1-2-3;2-1- |
7700 | 32 3b 32 2d 32 2d 33 3b 00 02 35 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d | 2;2-2-3;..5.!...3;1-1-2;1-2-3;2- |
7720 | 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | 1-2;2-2-3;2-1-9;..6.....3;1-2-3; |
7740 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-1-2;2-2-3;..7.....3;1-2-3;2-2- |
7760 | 33 3b 32 2d 31 2d 38 3b 00 02 38 00 28 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d | 3;2-1-8;..8.(...2;1-1-2;1-1-3;1- |
7780 | 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 34 3b 00 02 39 00 15 00 00 00 39 | 1-9;2-1-2;2-2-3;2-1-14;..9.....9 |
77a0 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 30 00 22 00 00 00 32 3b 31 2d | ;1-1-2;2-1-2;2-1-3;..10."...2;1- |
77c0 | 32 2d 32 3b 31 2d 31 2d 31 34 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 | 2-2;1-1-14;2-1-2;2-1-3;2-1-9;..1 |
77e0 | 31 00 1d 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 34 3b 32 2d 32 2d 33 | 1.....2;1-2-2;2-1-2;2-1-14;2-2-3 |
7800 | 32 3b 00 02 31 32 00 16 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d 32 3b | 2;..12.....2;1-1-2;1-2-32;2-1-2; |
7820 | 00 02 31 33 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 32 3b 00 | ..13.....32;1-1-2;2-1-2;2-1-32;. |
7840 | 02 31 34 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 32 3b 00 02 | .14.....32;1-1-2;2-1-2;2-1-32;.. |
7860 | 31 35 00 10 00 00 00 31 34 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 | 15.....14;1-1-2;2-2-2;....smiles |
7880 | 00 1f 00 00 00 43 4f 63 31 63 63 63 28 63 63 31 29 43 28 3d 4f 29 43 28 3d 43 43 28 3d 4f 29 4f | .....COc1ccc(cc1)C(=O)C(=CC(=O)O |
78a0 | 29 42 72 00 02 69 6e 63 68 69 00 51 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 31 48 39 42 72 4f | )Br..inchi.Q...InChI=1S/C11H9BrO |
78c0 | 34 2f 63 31 2d 31 36 2d 38 2d 34 2d 32 2d 37 28 33 2d 35 2d 38 29 31 31 28 31 35 29 39 28 31 32 | 4/c1-16-8-4-2-7(3-5-8)11(15)9(12 |
78e0 | 29 36 2d 31 30 28 31 33 29 31 34 2f 68 32 2d 36 48 2c 31 48 33 2c 28 48 2c 31 33 2c 31 34 29 00 | )6-10(13)14/h2-6H,1H3,(H,13,14). |
7900 | 09 75 70 64 61 74 65 64 5f 61 74 00 6d ee 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at.m.^FP....created_at. |
7920 | 6b ee 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | k.^FP....default_fingerprint_siz |
7940 | 65 00 00 00 00 00 00 ca 02 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 28 04 77 61 72 | e..........._id.V..f+r.+@..(.war |
7960 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ce 01 00 00 04 4d 50 | nings.......fingerprints......MP |
7980 | 32 44 00 c3 01 00 00 02 30 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | 2D......0.....19;1-1-3;2-2-3;..1 |
79a0 | 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 | .....3;1-2-3;1-1-19;2-2-3;2-1-15 |
79c0 | 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 | ;..2.....3;1-2-3;2-2-3;2-1-19;.. |
79e0 | 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d | 3.....3;1-2-3;2-3-3;..4.....3;1- |
7a00 | 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b | 3-3;2-4-3;..5.....3;1-2-3;2-3-3; |
7a20 | 32 2d 31 2d 31 35 3b 00 02 36 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d | 2-1-15;..6.....3;1-2-3;1-1-15;2- |
7a40 | 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d | 2-3;2-1-19;..7.....15;1-1-3;2-2- |
7a60 | 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 39 00 0f 00 00 00 | 3;..8.....3;1-3-3;2-4-3;..9..... |
7a80 | 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-2-3;2-3-3;..10.....3;1-2-3;2 |
7aa0 | 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | -2-3;2-1-19;..11.....3;1-2-3;1-1 |
7ac0 | 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 32 00 1d 00 00 00 33 3b 31 2d 32 2d | -19;2-2-3;2-1-15;..12.....3;1-2- |
7ae0 | 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 16 00 00 00 33 | 3;1-1-15;2-2-3;2-1-19;..13.....3 |
7b00 | 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 34 00 10 00 00 00 31 35 3b | ;1-2-3;2-3-3;2-1-15;..14.....15; |
7b20 | 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d | 1-1-3;2-2-3;..15.....19;1-1-3;2- |
7b40 | 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1d 00 00 00 4e 63 31 63 63 63 28 63 63 31 43 6c 29 | 2-3;....smiles.....Nc1ccc(cc1Cl) |
7b60 | 63 31 63 63 63 28 63 28 63 31 29 43 6c 29 4e 00 02 69 6e 63 68 69 00 4f 00 00 00 49 6e 43 68 49 | c1ccc(c(c1)Cl)N..inchi.O...InChI |
7b80 | 3d 31 53 2f 43 31 32 48 31 30 43 6c 32 4e 32 2f 63 31 33 2d 39 2d 35 2d 37 28 31 2d 33 2d 31 31 | =1S/C12H10Cl2N2/c13-9-5-7(1-3-11 |
7ba0 | 28 39 29 31 35 29 38 2d 32 2d 34 2d 31 32 28 31 36 29 31 30 28 31 34 29 36 2d 38 2f 68 31 2d 36 | (9)15)8-2-4-12(16)10(14)6-8/h1-6 |
7bc0 | 48 2c 31 35 2d 31 36 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 74 ee 5e 46 50 01 00 00 09 63 | H,15-16H2..updated_at.t.^FP....c |
7be0 | 72 65 61 74 65 64 5f 61 74 00 72 ee 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.r.^FP....default_finge |
7c00 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 a1 02 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 | rprint_size..........._id.V..f+r |
7c20 | ed 2b 40 00 00 29 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .+@..).warnings.......fingerprin |
7c40 | 74 73 00 af 01 00 00 04 4d 50 32 44 00 a4 01 00 00 02 30 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 | ts......MP2D......0.....19;1-1-3 |
7c60 | 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d | ;2-2-3;..1.....3;1-2-3;1-1-19;2- |
7c80 | 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 | 2-3;..2.....3;1-2-3;2-2-3;2-1-19 |
7ca0 | 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 | ;..3.....3;1-2-3;2-2-3;2-1-8;..4 |
7cc0 | 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 35 00 15 00 00 | .....3;1-2-3;1-1-8;2-3-3;..5.... |
7ce0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 16 00 00 00 33 3b 31 | .3;1-2-3;2-2-3;2-1-8;..6.....3;1 |
7d00 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 0f 00 00 00 38 3b 31 2d 32 2d | -2-3;2-2-3;2-1-19;..7.....8;1-2- |
7d20 | 33 3b 32 2d 34 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d | 3;2-4-3;..8.....3;1-2-3;1-1-8;2- |
7d40 | 33 2d 33 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b | 3-3;..9.....3;1-2-3;2-2-3;2-1-8; |
7d60 | 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 | ..10.....3;1-2-3;2-2-3;2-1-15;.. |
7d80 | 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 31 32 | 11.....3;1-2-3;1-1-15;2-2-3;..12 |
7da0 | 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 33 00 15 | .....3;1-2-3;2-2-3;2-1-15;..13.. |
7dc0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 34 00 10 00 00 00 | ...3;1-2-3;2-2-3;2-1-8;..14..... |
7de0 | 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 4e 63 | 15;1-1-3;2-2-3;....smiles.....Nc |
7e00 | 31 63 63 63 28 63 63 31 29 4f 63 31 63 63 63 28 63 63 31 29 43 6c 00 02 69 6e 63 68 69 00 49 00 | 1ccc(cc1)Oc1ccc(cc1)Cl..inchi.I. |
7e20 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 30 43 6c 4e 4f 2f 63 31 33 2d 39 2d 31 2d 35 2d | ..InChI=1S/C12H10ClNO/c13-9-1-5- |
7e40 | 31 31 28 36 2d 32 2d 39 29 31 35 2d 31 32 2d 37 2d 33 2d 31 30 28 31 34 29 34 2d 38 2d 31 32 2f | 11(6-2-9)15-12-7-3-10(14)4-8-12/ |
7e60 | 68 31 2d 38 48 2c 31 34 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 7b ee 5e 46 50 01 00 00 09 | h1-8H,14H2..updated_at.{.^FP.... |
7e80 | 63 72 65 61 74 65 64 5f 61 74 00 79 ee 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at.y.^FP....default_fing |
7ea0 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 96 02 00 00 07 5f 69 64 00 56 16 1c 66 2b | erprint_size..........._id.V..f+ |
7ec0 | 72 ed 2b 40 00 00 2a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.+@..*.warnings.......fingerpri |
7ee0 | 6e 74 73 00 a8 01 00 00 04 4d 50 32 44 00 9d 01 00 00 02 30 00 0f 00 00 00 39 3b 31 2d 31 2d 36 | nts......MP2D......0.....9;1-1-6 |
7f00 | 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 36 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 | ;2-1-3;..1.....6;1-1-3;1-1-9;2-2 |
7f20 | 2d 33 3b 00 02 32 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 32 2d 33 3b 32 | -3;..2.....3;1-2-3;1-1-6;2-2-3;2 |
7f40 | 2d 31 2d 39 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 | -1-9;..3.....3;1-2-3;2-2-3;2-1-6 |
7f60 | 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 | ;..4.....3;1-2-3;2-2-3;2-1-19;.. |
7f80 | 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 33 2d 33 3b 00 02 36 00 16 | 5.....3;1-2-3;1-1-19;2-3-3;..6.. |
7fa0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 15 00 00 00 | ...3;1-2-3;2-2-3;2-1-19;..7..... |
7fc0 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 38 00 10 00 00 00 31 39 3b 31 | 3;1-2-3;2-2-3;2-1-6;..8.....19;1 |
7fe0 | 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | -2-3;2-4-3;..9.....3;1-2-3;1-1-1 |
8000 | 39 3b 32 2d 33 2d 33 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 9;2-3-3;..10.....3;1-2-3;2-2-3;2 |
8020 | 2d 31 2d 31 39 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | -1-19;..11.....3;1-2-3;2-2-3;..1 |
8040 | 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 | 2.....3;1-2-3;2-2-3;..13.....3;1 |
8060 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -2-3;2-2-3;..14.....3;1-2-3;2-2- |
8080 | 33 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 17 00 00 00 4f 3d 4e 63 31 63 63 63 | 3;2-1-19;....smiles.....O=Nc1ccc |
80a0 | 28 63 63 31 29 4e 63 31 63 63 63 63 63 31 00 02 69 6e 63 68 69 00 47 00 00 00 49 6e 43 68 49 3d | (cc1)Nc1ccccc1..inchi.G...InChI= |
80c0 | 31 53 2f 43 31 32 48 31 30 4e 32 4f 2f 63 31 35 2d 31 34 2d 31 32 2d 38 2d 36 2d 31 31 28 37 2d | 1S/C12H10N2O/c15-14-12-8-6-11(7- |
80e0 | 39 2d 31 32 29 31 33 2d 31 30 2d 34 2d 32 2d 31 2d 33 2d 35 2d 31 30 2f 68 31 2d 39 2c 31 33 48 | 9-12)13-10-4-2-1-3-5-10/h1-9,13H |
8100 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 81 ee 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at...^FP....created_at |
8120 | 00 80 ee 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | ...^FP....default_fingerprint_si |
8140 | 7a 65 00 00 00 00 00 00 24 02 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 2b 04 77 61 | ze......$...._id.V..f+r.+@..+.wa |
8160 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 43 01 00 00 04 4d | rnings.......fingerprints.C....M |
8180 | 50 32 44 00 38 01 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | P2D.8....0.....8;1-1-3;2-2-3;..1 |
81a0 | 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 32 00 15 00 00 | .....3;1-2-3;1-1-8;2-3-3;..2.... |
81c0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 00 0f 00 00 00 33 3b 31 | .3;1-2-3;2-2-3;2-1-8;..3.....3;1 |
81e0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -2-3;2-2-3;..4.....3;1-2-3;2-2-3 |
8200 | 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 36 00 15 00 00 00 33 | ;..5.....3;1-2-3;2-3-3;..6.....3 |
8220 | 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 33 | ;1-3-3;2-4-3;2-1-8;..7.....3;1-3 |
8240 | 2d 33 3b 32 2d 34 2d 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 | -3;2-4-3;..8.....3;1-2-3;2-3-3;. |
8260 | 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 0f 00 00 00 33 3b | .9.....3;1-2-3;2-2-3;..10.....3; |
8280 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 1-2-3;2-2-3;..11.....3;1-2-3;2-2 |
82a0 | 2d 33 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 00 00 02 73 6d | -3;..12.....3;1-2-3;2-3-3;....sm |
82c0 | 69 6c 65 73 00 12 00 00 00 4f 63 31 63 63 63 63 63 31 63 31 63 63 63 63 63 31 00 02 69 6e 63 68 | iles.....Oc1ccccc1c1ccccc1..inch |
82e0 | 69 00 3f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 30 4f 2f 63 31 33 2d 31 32 2d 39 2d | i.?...InChI=1S/C12H10O/c13-12-9- |
8300 | 35 2d 34 2d 38 2d 31 31 28 31 32 29 31 30 2d 36 2d 32 2d 31 2d 33 2d 37 2d 31 30 2f 68 31 2d 39 | 5-4-8-11(12)10-6-2-1-3-7-10/h1-9 |
8320 | 2c 31 33 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 88 ee 5e 46 50 01 00 00 09 63 72 65 61 74 65 | ,13H..updated_at...^FP....create |
8340 | 64 5f 61 74 00 86 ee 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at...^FP....default_fingerprin |
8360 | 74 5f 73 69 7a 65 00 00 00 00 00 00 2e 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 | t_size..........._id.V..f+r.+@.. |
8380 | 2c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 27 02 | ,.warnings.......fingerprints.'. |
83a0 | 00 00 04 4d 50 32 44 00 1c 02 00 00 02 30 00 16 00 00 00 36 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 | ...MP2D......0.....6;1-1-3;2-1-3 |
83c0 | 3b 32 2d 31 2d 31 31 3b 00 02 31 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 31 2d | ;2-1-11;..1.#...3;1-1-3;1-1-6;1- |
83e0 | 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 32 00 23 00 00 00 31 31 3b 31 2d 32 | 1-11;2-2-3;2-1-13;..2.#...11;1-2 |
8400 | 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 33 00 | -3;1-1-13;2-1-1;2-2-3;2-1-6;..3. |
8420 | 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 34 00 23 00 00 00 33 3b 31 2d | ....13;1-1-11;2-2-3;..4.#...3;1- |
8440 | 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 | 1-1;1-1-3;1-1-11;2-3-3;2-1-13;.. |
8460 | 35 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 36 00 1c | 5.....1;1-1-3;2-1-3;2-1-11;..6.. |
8480 | 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 | ...3;1-3-3;2-1-1;2-3-3;2-2-11;.. |
84a0 | 37 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 | 7.....3;1-2-3;1-1-11;2-4-3;2-1-1 |
84c0 | 33 3b 00 02 38 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d | 3;..8.....3;1-2-3;2-1-3;2-1-6;2- |
84e0 | 32 2d 31 31 3b 00 02 39 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 34 | 2-11;..9.....11;1-2-3;1-1-13;2-4 |
8500 | 2d 33 3b 00 02 31 30 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 31 | -3;..10.....13;1-1-11;2-2-3;..11 |
8520 | 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 33 | .....3;1-2-3;1-1-11;2-4-3;2-1-13 |
8540 | 3b 00 02 31 32 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 31 3b 00 | ;..12.....3;1-3-3;2-4-3;2-1-11;. |
8560 | 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 34 00 0f 00 00 00 33 | .13.....3;1-2-3;2-3-3;..14.....3 |
8580 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;1-2-3;2-2-3;..15.....3;1-2-3;2- |
85a0 | 32 2d 33 3b 00 02 31 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | 2-3;..16.....3;1-2-3;2-2-3;2-1-1 |
85c0 | 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 21 00 00 00 4e 3d 63 31 5b 6e 48 5d 63 28 43 29 63 32 63 | 1;....smiles.!...N=c1[nH]c(C)c2c |
85e0 | 28 63 31 29 5b 6e 48 5d 63 31 63 32 63 63 63 63 31 00 02 69 6e 63 68 69 00 56 00 00 00 49 6e 43 | (c1)[nH]c1c2cccc1..inchi.V...InC |
8600 | 68 49 3d 31 53 2f 43 31 32 48 31 31 4e 33 2f 63 31 2d 37 2d 31 32 2d 38 2d 34 2d 32 2d 33 2d 35 | hI=1S/C12H11N3/c1-7-12-8-4-2-3-5 |
8620 | 2d 39 28 38 29 31 35 2d 31 30 28 31 32 29 36 2d 31 31 28 31 33 29 31 34 2d 37 2f 68 32 2d 36 2c | -9(8)15-10(12)6-11(13)14-7/h2-6, |
8640 | 31 35 48 2c 31 48 33 2c 28 48 32 2c 31 33 2c 31 34 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 8f | 15H,1H3,(H2,13,14)..updated_at.. |
8660 | ee 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 8e ee 5e 46 50 01 00 00 10 64 65 66 61 | .^FP....created_at...^FP....defa |
8680 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 24 03 00 00 07 5f | ult_fingerprint_size......$...._ |
86a0 | 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 2d 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..f+r.+@..-.warnings.......f |
86c0 | 69 6e 67 65 72 70 72 69 6e 74 73 00 20 02 00 00 04 4d 50 32 44 00 15 02 00 00 02 30 00 16 00 00 | ingerprints......MP2D......0.... |
86e0 | 00 36 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 00 29 00 00 00 33 3b | .6;1-1-3;2-1-3;2-1-11;..1.)...3; |
8700 | 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 | 1-1-3;1-1-6;1-1-11;2-1-1;2-2-3;2 |
8720 | 2d 31 2d 31 33 3b 00 02 32 00 24 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d | -1-13;..2.$...11;1-2-3;1-1-13;2- |
8740 | 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 31 3b 00 02 33 00 11 00 00 00 31 33 3b 31 2d 31 2d | 2-3;2-1-6;2-1-11;..3.....13;1-1- |
8760 | 31 31 3b 32 2d 32 2d 33 3b 00 02 34 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 32 2d 31 31 3b | 11;2-2-3;..4.....3;1-1-3;1-2-11; |
8780 | 32 2d 34 2d 33 3b 32 2d 32 2d 31 33 3b 00 02 35 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d | 2-4-3;2-2-13;..5.....11;1-2-3;1- |
87a0 | 31 2d 31 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 36 00 11 00 00 00 31 33 3b 31 2d 31 | 1-13;2-3-3;2-1-11;..6.....13;1-1 |
87c0 | 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 37 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 | -11;2-2-3;..7.....3;1-2-3;1-1-11 |
87e0 | 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d | ;2-4-3;2-1-13;..8.....3;1-3-3;2- |
8800 | 34 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 33 2d 33 | 4-3;2-1-11;..9.....3;1-3-3;2-3-3 |
8820 | 3b 32 2d 32 2d 31 31 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 | ;2-2-11;..10.....3;1-2-3;2-1-1;2 |
8840 | 2d 33 2d 33 3b 00 02 31 31 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d | -3-3;..11."...3;1-1-1;1-2-3;2-1- |
8860 | 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 31 3b 00 02 31 32 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b | 3;2-1-6;2-1-11;..12.....1;1-1-3; |
8880 | 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 | 2-2-3;..13.....3;1-2-3;2-3-3;..1 |
88a0 | 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 | 4.....3;1-2-3;2-2-3;..15.....3;1 |
88c0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -2-3;2-2-3;..16.....3;1-2-3;2-2- |
88e0 | 33 3b 32 2d 31 2d 31 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 1f 00 00 00 4e 3d 63 31 5b 6e 48 5d | 3;2-1-11;....smiles.....N=c1[nH] |
8900 | 63 32 5b 6e 48 5d 63 33 63 28 63 32 63 63 31 43 29 63 63 63 63 33 00 02 69 6e 63 68 69 00 55 00 | c2[nH]c3c(c2cc1C)cccc3..inchi.U. |
8920 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 31 4e 33 2f 63 31 2d 37 2d 36 2d 39 2d 38 2d 34 | ..InChI=1S/C12H11N3/c1-7-6-9-8-4 |
8940 | 2d 32 2d 33 2d 35 2d 31 30 28 38 29 31 34 2d 31 32 28 39 29 31 35 2d 31 31 28 37 29 31 33 2f 68 | -2-3-5-10(8)14-12(9)15-11(7)13/h |
8960 | 32 2d 36 48 2c 31 48 33 2c 28 48 33 2c 31 33 2c 31 34 2c 31 35 29 00 09 75 70 64 61 74 65 64 5f | 2-6H,1H3,(H3,13,14,15)..updated_ |
8980 | 61 74 00 97 ee 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 95 ee 5e 46 50 01 00 00 10 | at...^FP....created_at...^FP.... |
89a0 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 a5 02 | default_fingerprint_size........ |
89c0 | 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 2e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V..f+r.+@....warnings.... |
89e0 | 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ad 01 00 00 04 4d 50 32 44 00 a2 01 00 00 02 30 | ...fingerprints......MP2D......0 |
8a00 | 00 0f 00 00 00 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 00 02 31 00 1b 00 00 00 36 3b 31 2d 31 | .....1;1-1-6;2-1-2;..1.....6;1-1 |
8a20 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 00 21 00 00 00 32 3b 31 | -1;1-1-2;2-1-8;2-1-9;..2.!...2;1 |
8a40 | 2d 31 2d 36 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 | -1-6;1-1-8;1-1-9;2-1-1;2-1-3;..3 |
8a60 | 00 21 00 00 00 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 | .!...8;1-1-2;1-1-3;2-2-3;2-1-6;2 |
8a80 | 2d 31 2d 39 3b 00 02 34 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 | -1-9;..4.....3;1-2-3;1-1-8;2-1-2 |
8aa0 | 3b 32 2d 33 2d 33 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | ;2-3-3;..5.....3;1-2-3;2-2-3;2-1 |
8ac0 | 2d 38 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 0f 00 00 | -8;..6.....3;1-2-3;2-2-3;..7.... |
8ae0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 | .3;1-2-3;2-3-3;..8.....3;1-3-3;2 |
8b00 | 2d 34 2d 33 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 38 | -4-3;..9.....3;1-3-3;2-4-3;2-1-8 |
8b20 | 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 31 00 0f 00 00 | ;..10.....3;1-2-3;2-3-3;..11.... |
8b40 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b | .3;1-2-3;2-2-3;..12.....3;1-2-3; |
8b60 | 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 | 2-2-3;..13.....3;1-2-3;2-3-3;..1 |
8b80 | 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d | 4.....9;1-1-2;2-1-6;2-1-8;....sm |
8ba0 | 69 6c 65 73 00 17 00 00 00 43 4e 3d 43 28 4f 63 31 63 63 63 63 32 63 31 63 63 63 63 32 29 4f 00 | iles.....CN=C(Oc1cccc2c1cccc2)O. |
8bc0 | 02 69 6e 63 68 69 00 51 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 31 4e 4f 32 2f 63 31 | .inchi.Q...InChI=1S/C12H11NO2/c1 |
8be0 | 2d 31 33 2d 31 32 28 31 34 29 31 35 2d 31 31 2d 38 2d 34 2d 36 2d 39 2d 35 2d 32 2d 33 2d 37 2d | -13-12(14)15-11-8-4-6-9-5-2-3-7- |
8c00 | 31 30 28 39 29 31 31 2f 68 32 2d 38 48 2c 31 48 33 2c 28 48 2c 31 33 2c 31 34 29 00 09 75 70 64 | 10(9)11/h2-8H,1H3,(H,13,14)..upd |
8c20 | 61 74 65 64 5f 61 74 00 9e ee 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 9c ee 5e 46 | ated_at...^FP....created_at...^F |
8c40 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
8c60 | 00 00 00 7b 02 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 2f 04 77 61 72 6e 69 6e 67 | ...{...._id.V..f+r.+@../.warning |
8c80 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 90 01 00 00 04 4d 50 32 44 00 85 | s.......fingerprints......MP2D.. |
8ca0 | 01 00 00 02 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 0f 00 00 00 | ....0.....3;1-2-3;2-2-3;..1..... |
8cc0 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 3;1-2-3;2-2-3;..2.....3;1-2-3;2- |
8ce0 | 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | 2-3;2-1-19;..3.....3;1-2-3;1-1-1 |
8d00 | 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 9;2-2-3;2-1-19;..4.....3;1-2-3;2 |
8d20 | 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -2-3;2-1-19;..5.....3;1-2-3;2-2- |
8d40 | 33 3b 00 02 36 00 17 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 33 2d 33 3b | 3;..6.....19;1-1-3;1-1-19;2-3-3; |
8d60 | 00 02 37 00 17 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 33 2d 33 3b 00 02 | ..7.....19;1-1-3;1-1-19;2-3-3;.. |
8d80 | 38 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | 8.....3;1-2-3;1-1-19;2-2-3;2-1-1 |
8da0 | 39 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 | 9;..9.....3;1-2-3;2-2-3;2-1-19;. |
8dc0 | 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 | .10.....3;1-2-3;2-2-3;..11.....3 |
8de0 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;1-2-3;2-2-3;..12.....3;1-2-3;2- |
8e00 | 32 2d 33 3b 00 02 31 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | 2-3;..13.....3;1-2-3;2-2-3;2-1-1 |
8e20 | 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 15 00 00 00 63 31 63 63 63 28 63 63 31 29 4e 4e 63 31 63 | 9;....smiles.....c1ccc(cc1)NNc1c |
8e40 | 63 63 63 63 31 00 02 69 6e 63 68 69 00 46 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 32 | cccc1..inchi.F...InChI=1S/C12H12 |
8e60 | 4e 32 2f 63 31 2d 33 2d 37 2d 31 31 28 38 2d 34 2d 31 29 31 33 2d 31 34 2d 31 32 2d 39 2d 35 2d | N2/c1-3-7-11(8-4-1)13-14-12-9-5- |
8e80 | 32 2d 36 2d 31 30 2d 31 32 2f 68 31 2d 31 30 2c 31 33 2d 31 34 48 00 09 75 70 64 61 74 65 64 5f | 2-6-10-12/h1-10,13-14H..updated_ |
8ea0 | 61 74 00 a4 ee 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a3 ee 5e 46 50 01 00 00 10 | at...^FP....created_at...^FP.... |
8ec0 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 63 02 | default_fingerprint_size......c. |
8ee0 | 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 30 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V..f+r.+@..0.warnings.... |
8f00 | 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 74 01 00 00 04 4d 50 32 44 00 69 01 00 00 02 30 | ...fingerprints.t....MP2D.i....0 |
8f20 | 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d | .....19;1-1-3;2-2-3;..1.....3;1- |
8f40 | 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;1-1-19;2-2-3;..2.....3;1-2-3 |
8f60 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-3;2-1-19;..3.....3;1-2-3;2- |
8f80 | 33 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 35 00 0f 00 | 3-3;..4.....3;1-3-3;2-4-3;..5... |
8fa0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | ..3;1-2-3;2-3-3;..6.....3;1-2-3; |
8fc0 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 | 2-2-3;2-1-19;..7.....3;1-3-3;2-4 |
8fe0 | 2d 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 39 00 16 00 00 | -3;..8.....3;1-2-3;2-3-3;..9.... |
9000 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 16 00 00 00 33 | .3;1-2-3;2-2-3;2-1-19;..10.....3 |
9020 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 31 31 00 16 00 00 00 33 3b 31 | ;1-2-3;1-1-19;2-2-3;..11.....3;1 |
9040 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 | -2-3;2-2-3;2-1-19;..12.....3;1-2 |
9060 | 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 33 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | -3;2-3-3;..13.....19;1-1-3;2-2-3 |
9080 | 3b 00 00 00 02 73 6d 69 6c 65 73 00 17 00 00 00 4e 63 31 63 63 63 28 63 63 31 29 63 31 63 63 63 | ;....smiles.....Nc1ccc(cc1)c1ccc |
90a0 | 28 63 63 31 29 4e 00 02 69 6e 63 68 69 00 48 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 | (cc1)N..inchi.H...InChI=1S/C12H1 |
90c0 | 32 4e 32 2f 63 31 33 2d 31 31 2d 35 2d 31 2d 39 28 32 2d 36 2d 31 31 29 31 30 2d 33 2d 37 2d 31 | 2N2/c13-11-5-1-9(2-6-11)10-3-7-1 |
90e0 | 32 28 31 34 29 38 2d 34 2d 31 30 2f 68 31 2d 38 48 2c 31 33 2d 31 34 48 32 00 09 75 70 64 61 74 | 2(14)8-4-10/h1-8H,13-14H2..updat |
9100 | 65 64 5f 61 74 00 ab ee 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a9 ee 5e 46 50 01 | ed_at...^FP....created_at...^FP. |
9120 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
9140 | 00 a2 02 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 31 04 77 61 72 6e 69 6e 67 73 00 | ......_id.V..f+r.+@..1.warnings. |
9160 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 af 01 00 00 04 4d 50 32 44 00 a4 01 00 | ......fingerprints......MP2D.... |
9180 | 00 02 30 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 | ..0.....19;1-1-3;2-2-3;..1.....3 |
91a0 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d | ;1-2-3;1-1-19;2-2-3;..2.....3;1- |
91c0 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-2-3;2-1-19;..3.....3;1-2-3 |
91e0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | ;2-2-3;2-1-8;..4.....3;1-2-3;1-1 |
9200 | 2d 38 3b 32 2d 33 2d 33 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | -8;2-3-3;..5.....3;1-2-3;2-2-3;2 |
9220 | 2d 31 2d 38 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | -1-8;..6.....3;1-2-3;2-2-3;2-1-1 |
9240 | 39 3b 00 02 37 00 0f 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 38 00 15 00 00 00 | 9;..7.....8;1-2-3;2-4-3;..8..... |
9260 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 39 00 15 00 00 00 33 3b 31 2d | 3;1-2-3;1-1-8;2-3-3;..9.....3;1- |
9280 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-2-3;2-1-8;..10.....3;1-2-3 |
92a0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | ;2-2-3;2-1-19;..11.....3;1-2-3;1 |
92c0 | 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 31 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | -1-19;2-2-3;..12.....3;1-2-3;2-2 |
92e0 | 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -3;2-1-19;..13.....3;1-2-3;2-2-3 |
9300 | 3b 32 2d 31 2d 38 3b 00 02 31 34 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | ;2-1-8;..14.....19;1-1-3;2-2-3;. |
9320 | 00 00 02 73 6d 69 6c 65 73 00 18 00 00 00 4e 63 31 63 63 63 28 63 63 31 29 4f 63 31 63 63 63 28 | ...smiles.....Nc1ccc(cc1)Oc1ccc( |
9340 | 63 63 31 29 4e 00 02 69 6e 63 68 69 00 4b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 32 | cc1)N..inchi.K...InChI=1S/C12H12 |
9360 | 4e 32 4f 2f 63 31 33 2d 39 2d 31 2d 35 2d 31 31 28 36 2d 32 2d 39 29 31 35 2d 31 32 2d 37 2d 33 | N2O/c13-9-1-5-11(6-2-9)15-12-7-3 |
9380 | 2d 31 30 28 31 34 29 34 2d 38 2d 31 32 2f 68 31 2d 38 48 2c 31 33 2d 31 34 48 32 00 09 75 70 64 | -10(14)4-8-12/h1-8H,13-14H2..upd |
93a0 | 61 74 65 64 5f 61 74 00 b2 ee 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 b0 ee 5e 46 | ated_at...^FP....created_at...^F |
93c0 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
93e0 | 00 00 00 07 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 32 04 77 61 72 6e 69 6e 67 | ........_id.V..f+r.+@..2.warning |
9400 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 04 02 00 00 04 4d 50 32 44 00 f9 | s.......fingerprints......MP2D.. |
9420 | 01 00 00 02 30 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 | ....0.....19;1-1-3;2-2-3;..1.... |
9440 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b | .3;1-2-3;1-1-19;2-2-3;..2.....3; |
9460 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 32 | 1-2-3;2-2-3;2-1-19;..3.....3;1-2 |
9480 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-2-3;2-1-30;..4.....3;1-2-3; |
94a0 | 31 2d 31 2d 33 30 3b 32 2d 33 2d 33 3b 32 2d 32 2d 39 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 | 1-1-30;2-3-3;2-2-9;..5.....3;1-2 |
94c0 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-2-3;2-1-30;..6.....3;1-2-3; |
94e0 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 16 00 00 00 33 30 3b 31 2d 32 2d 33 3b 31 2d | 2-2-3;2-1-19;..7.....30;1-2-3;1- |
9500 | 32 2d 39 3b 32 2d 34 2d 33 3b 00 02 38 00 16 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 32 2d 33 | 2-9;2-4-3;..8.....9;1-1-30;2-2-3 |
9520 | 3b 32 2d 31 2d 39 3b 00 02 39 00 16 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 32 2d 33 3b 32 2d | ;2-1-9;..9.....9;1-1-30;2-2-3;2- |
9540 | 31 2d 39 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 33 30 3b 32 2d 33 2d | 1-9;..10.....3;1-2-3;1-1-30;2-3- |
9560 | 33 3b 32 2d 32 2d 39 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 3;2-2-9;..11.....3;1-2-3;2-2-3;2 |
9580 | 2d 31 2d 33 30 3b 00 02 31 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | -1-30;..12.....3;1-2-3;2-2-3;2-1 |
95a0 | 2d 31 39 3b 00 02 31 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d | -19;..13.....3;1-2-3;1-1-19;2-2- |
95c0 | 33 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b | 3;..14.....3;1-2-3;2-2-3;2-1-19; |
95e0 | 00 02 31 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 | ..15.....3;1-2-3;2-2-3;2-1-30;.. |
9600 | 31 36 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 | 16.....19;1-1-3;2-2-3;....smiles |
9620 | 00 20 00 00 00 4e 63 31 63 63 63 28 63 63 31 29 53 28 3d 4f 29 28 3d 4f 29 63 31 63 63 63 28 63 | .....Nc1ccc(cc1)S(=O)(=O)c1ccc(c |
9640 | 63 31 29 4e 00 02 69 6e 63 68 69 00 53 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 32 4e | c1)N..inchi.S...InChI=1S/C12H12N |
9660 | 32 4f 32 53 2f 63 31 33 2d 39 2d 31 2d 35 2d 31 31 28 36 2d 32 2d 39 29 31 37 28 31 35 2c 31 36 | 2O2S/c13-9-1-5-11(6-2-9)17(15,16 |
9680 | 29 31 32 2d 37 2d 33 2d 31 30 28 31 34 29 34 2d 38 2d 31 32 2f 68 31 2d 38 48 2c 31 33 2d 31 34 | )12-7-3-10(14)4-8-12/h1-8H,13-14 |
96a0 | 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 b9 ee 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | H2..updated_at...^FP....created_ |
96c0 | 61 74 00 b7 ee 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at...^FP....default_fingerprint_ |
96e0 | 73 69 7a 65 00 00 00 00 00 00 49 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 33 04 | size......I...._id.V..f+r.+@..3. |
9700 | 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 34 02 00 00 | warnings.......fingerprints.4... |
9720 | 04 4d 50 32 44 00 29 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 | .MP2D.)....0.....1;1-1-1;2-1-1;. |
9740 | 02 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 33 3b 00 02 32 00 2e | .1.....1;1-2-1;2-2-2;2-1-3;..2.. |
9760 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 | ...1;1-1-1;1-2-2;1-1-3;2-1-1;2-2 |
9780 | 2d 33 3b 32 2d 32 2d 39 3b 32 2d 32 2d 32 38 3b 00 02 33 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b | -3;2-2-9;2-2-28;..3.!...3;1-1-1; |
97a0 | 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 00 15 00 00 00 | 1-2-3;2-1-1;2-2-2;2-2-3;..4..... |
97c0 | 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d | 3;1-2-3;2-1-1;2-2-3;..5.....3;1- |
97e0 | 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | 2-3;2-2-3;..6.....3;1-2-3;2-2-3; |
9800 | 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 33 3b | ..7.....3;1-2-3;2-2-3;..8.....3; |
9820 | 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 28 00 00 00 32 3b 31 2d 31 2d | 1-2-3;2-1-1;2-2-3;..9.(...2;1-1- |
9840 | 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 33 | 1;1-1-9;1-1-28;2-1-1;2-2-2;2-1-3 |
9860 | 3b 00 02 31 30 00 1d 00 00 00 32 38 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 39 3b 32 | ;..10.....28;1-2-2;2-1-1;2-2-9;2 |
9880 | 2d 31 2d 32 38 3b 00 02 31 31 00 16 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 32 2d 32 38 3b 32 2d | -1-28;..11.....2;1-1-9;1-2-28;2- |
98a0 | 32 2d 32 3b 00 02 31 32 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 31 33 | 2-2;..12.....9;1-1-2;2-2-28;..13 |
98c0 | 00 1d 00 00 00 32 38 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 39 3b 32 2d 31 2d 32 38 | .....28;1-2-2;2-1-1;2-2-9;2-1-28 |
98e0 | 3b 00 02 31 34 00 28 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 | ;..14.(...2;1-1-1;1-1-9;1-1-28;2 |
9900 | 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 35 00 16 00 00 00 39 3b 31 2d 31 2d | -1-1;2-2-2;2-1-3;..15.....9;1-1- |
9920 | 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 36 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b | 2;2-1-1;2-1-28;..16.....9;1-1-2; |
9940 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 1f 00 00 00 43 43 43 31 | 2-1-1;2-1-28;....smiles.....CCC1 |
9960 | 28 63 32 63 63 63 63 63 32 29 43 28 3d 4e 43 28 3d 4f 29 4e 3d 43 31 4f 29 4f 00 02 69 6e 63 68 | (c2ccccc2)C(=NC(=O)N=C1O)O..inch |
9980 | 69 00 66 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 32 4e 32 4f 33 2f 63 31 2d 32 2d 31 | i.f...InChI=1S/C12H12N2O3/c1-2-1 |
99a0 | 32 28 38 2d 36 2d 34 2d 33 2d 35 2d 37 2d 38 29 39 28 31 35 29 31 33 2d 31 31 28 31 37 29 31 34 | 2(8-6-4-3-5-7-8)9(15)13-11(17)14 |
99c0 | 2d 31 30 28 31 32 29 31 36 2f 68 33 2d 37 48 2c 32 48 32 2c 31 48 33 2c 28 48 32 2c 31 33 2c 31 | -10(12)16/h3-7H,2H2,1H3,(H2,13,1 |
99e0 | 34 2c 31 35 2c 31 36 2c 31 37 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 c0 ee 5e 46 50 01 00 00 | 4,15,16,17)..updated_at...^FP... |
9a00 | 09 63 72 65 61 74 65 64 5f 61 74 00 be ee 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at...^FP....default_fin |
9a20 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 50 03 00 00 07 5f 69 64 00 56 16 1c 66 | gerprint_size......P...._id.V..f |
9a40 | 2b 72 ed 2b 40 00 00 34 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.+@..4.warnings.......fingerpr |
9a60 | 69 6e 74 73 00 42 02 00 00 04 4d 50 32 44 00 37 02 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d | ints.B....MP2D.7....0.....1;1-1- |
9a80 | 31 3b 32 2d 31 2d 31 31 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 31 3b | 1;2-1-11;..1.....1;1-1-1;1-1-11; |
9aa0 | 32 2d 32 2d 33 3b 00 02 32 00 23 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 | 2-2-3;..2.#...11;1-1-1;1-2-3;2-1 |
9ac0 | 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 33 00 22 00 00 00 33 3b 31 2d 31 2d 33 3b | -1;2-2-3;2-1-11;..3."...3;1-1-3; |
9ae0 | 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 00 29 00 00 | 1-1-11;2-1-1;2-1-2;2-2-3;..4.).. |
9b00 | 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 | .3;1-1-2;1-2-3;2-1-3;2-1-9;2-1-1 |
9b20 | 31 3b 32 2d 32 2d 33 32 3b 00 02 35 00 16 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 32 2d 33 32 3b | 1;2-2-32;..5.....2;1-1-3;1-2-32; |
9b40 | 32 2d 32 2d 33 3b 00 02 36 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 | 2-2-3;..6.....32;1-1-2;2-1-3;2-1 |
9b60 | 2d 33 32 3b 00 02 37 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 | -32;..7.....32;1-1-2;2-1-3;2-1-3 |
9b80 | 32 3b 00 02 38 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d | 2;..8.....3;1-2-3;1-1-9;2-1-2;2- |
9ba0 | 33 2d 33 3b 00 02 39 00 0f 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 1c | 3-3;..9.....9;1-1-3;2-2-3;..10.. |
9bc0 | 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 31 3b 00 02 | ...3;1-3-3;2-2-3;2-1-9;2-2-11;.. |
9be0 | 31 31 00 1c 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 34 2d | 11.....3;1-1-3;1-2-11;2-1-1;2-4- |
9c00 | 33 3b 00 02 31 32 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | 3;..12.....11;1-2-3;2-1-1;2-2-3; |
9c20 | 32 2d 31 2d 31 31 3b 00 02 31 33 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d | 2-1-11;..13.....3;1-1-1;1-1-3;1- |
9c40 | 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 34 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d | 1-11;2-2-3;..14.....1;1-1-3;2-1- |
9c60 | 33 3b 32 2d 31 2d 31 31 3b 00 02 31 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b | 3;2-1-11;..15.....3;1-2-3;2-1-1; |
9c80 | 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 2-1-3;2-1-11;..16.....3;1-2-3;2- |
9ca0 | 33 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 20 00 00 00 43 43 6e 31 63 63 28 43 28 3d 4f 29 4f | 3-3;....smiles.....CCn1cc(C(=O)O |
9cc0 | 29 63 28 3d 4f 29 63 32 63 31 6e 63 28 43 29 63 63 32 00 02 69 6e 63 68 69 00 5e 00 00 00 49 6e | )c(=O)c2c1nc(C)cc2..inchi.^...In |
9ce0 | 43 68 49 3d 31 53 2f 43 31 32 48 31 32 4e 32 4f 33 2f 63 31 2d 33 2d 31 34 2d 36 2d 39 28 31 32 | ChI=1S/C12H12N2O3/c1-3-14-6-9(12 |
9d00 | 28 31 36 29 31 37 29 31 30 28 31 35 29 38 2d 35 2d 34 2d 37 28 32 29 31 33 2d 31 31 28 38 29 31 | (16)17)10(15)8-5-4-7(2)13-11(8)1 |
9d20 | 34 2f 68 34 2d 36 48 2c 33 48 32 2c 31 2d 32 48 33 2c 28 48 2c 31 36 2c 31 37 29 00 09 75 70 64 | 4/h4-6H,3H2,1-2H3,(H,16,17)..upd |
9d40 | 61 74 65 64 5f 61 74 00 c7 ee 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c6 ee 5e 46 | ated_at...^FP....created_at...^F |
9d60 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
9d80 | 00 00 00 a9 02 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 35 04 77 61 72 6e 69 6e 67 | ........_id.V..f+r.+@..5.warning |
9da0 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b6 01 00 00 04 4d 50 32 44 00 ab | s.......fingerprints......MP2D.. |
9dc0 | 01 00 00 02 30 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 | ....0.....19;1-1-3;2-2-3;..1.... |
9de0 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b | .3;1-2-3;1-1-19;2-2-3;..2.....3; |
9e00 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 32 | 1-2-3;2-2-3;2-1-19;..3.....3;1-2 |
9e20 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-2-3;2-1-10;..4.....3;1-2-3; |
9e40 | 31 2d 31 2d 31 30 3b 32 2d 33 2d 33 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 1-1-10;2-3-3;..5.....3;1-2-3;2-2 |
9e60 | 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | -3;2-1-10;..6.....3;1-2-3;2-2-3; |
9e80 | 32 2d 31 2d 31 39 3b 00 02 37 00 10 00 00 00 31 30 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 | 2-1-19;..7.....10;1-2-3;2-4-3;.. |
9ea0 | 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 33 2d 33 3b 00 02 39 00 16 | 8.....3;1-2-3;1-1-10;2-3-3;..9.. |
9ec0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 30 00 16 00 00 | ...3;1-2-3;2-2-3;2-1-10;..10.... |
9ee0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 16 00 00 00 33 | .3;1-2-3;2-2-3;2-1-19;..11.....3 |
9f00 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 31 32 00 16 00 00 00 33 3b 31 | ;1-2-3;1-1-19;2-2-3;..12.....3;1 |
9f20 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 16 00 00 00 33 3b 31 2d 32 | -2-3;2-2-3;2-1-19;..13.....3;1-2 |
9f40 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 34 00 10 00 00 00 31 39 3b 31 2d 31 2d | -3;2-2-3;2-1-10;..14.....19;1-1- |
9f60 | 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 18 00 00 00 4e 63 31 63 63 63 28 63 63 | 3;2-2-3;....smiles.....Nc1ccc(cc |
9f80 | 31 29 53 63 31 63 63 63 28 63 63 31 29 4e 00 02 69 6e 63 68 69 00 4b 00 00 00 49 6e 43 68 49 3d | 1)Sc1ccc(cc1)N..inchi.K...InChI= |
9fa0 | 31 53 2f 43 31 32 48 31 32 4e 32 53 2f 63 31 33 2d 39 2d 31 2d 35 2d 31 31 28 36 2d 32 2d 39 29 | 1S/C12H12N2S/c13-9-1-5-11(6-2-9) |
9fc0 | 31 35 2d 31 32 2d 37 2d 33 2d 31 30 28 31 34 29 34 2d 38 2d 31 32 2f 68 31 2d 38 48 2c 31 33 2d | 15-12-7-3-10(14)4-8-12/h1-8H,13- |
9fe0 | 31 34 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 ce ee 5e 46 50 01 00 00 09 63 72 65 61 74 65 | 14H2..updated_at...^FP....create |
a000 | 64 5f 61 74 00 cd ee 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at...^FP....default_fingerprin |
a020 | 74 5f 73 69 7a 65 00 00 00 00 00 00 a2 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 | t_size..........._id.V..f+r.+@.. |
a040 | 36 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 9a 02 | 6.warnings.......fingerprints... |
a060 | 00 00 04 4d 50 32 44 00 8f 02 00 00 02 30 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 | ...MP2D......0.....9;1-1-2;2-2-2 |
a080 | 3b 00 02 31 00 1c 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 39 3b 32 2d 32 2d 32 3b 32 2d 32 | ;..1.....2;1-2-2;1-1-9;2-2-2;2-2 |
a0a0 | 2d 31 39 3b 00 02 32 00 29 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 | -19;..2.)...2;1-2-2;1-1-19;2-2-1 |
a0c0 | 3b 32 2d 32 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 33 00 29 00 00 00 32 3b 31 2d | ;2-2-2;2-1-9;2-1-19;..3.)...2;1- |
a0e0 | 32 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 | 2-2;1-1-19;2-2-1;2-2-2;2-1-9;2-1 |
a100 | 2d 31 39 3b 00 02 34 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 | -19;..4.....19;1-2-1;1-1-2;2-2-1 |
a120 | 3b 32 2d 32 2d 32 3b 00 02 35 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d | ;2-2-2;..5.#...1;1-1-1;1-1-19;2- |
a140 | 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 36 00 23 00 00 00 31 3b 31 2d 31 2d 31 | 1-1;2-1-2;2-1-19;..6.#...1;1-1-1 |
a160 | 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 37 00 1c | ;1-1-19;2-1-1;2-1-2;2-1-19;..7.. |
a180 | 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 39 3b 32 2d 32 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 | ...2;1-2-2;1-1-9;2-2-2;2-1-19;.. |
a1a0 | 38 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 02 39 00 1c 00 00 00 32 3b 31 2d | 8.....9;1-1-2;2-2-2;..9.....2;1- |
a1c0 | 32 2d 32 3b 32 2d 32 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 22 00 00 00 | 2-2;2-2-2;2-1-9;2-1-19;..10."... |
a1e0 | 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 39 | 2;1-2-2;1-1-19;2-2-1;2-2-2;2-1-9 |
a200 | 3b 00 02 31 31 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 | ;..11.....19;1-2-1;1-1-2;2-2-1;2 |
a220 | 2d 32 2d 32 3b 00 02 31 32 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 | -2-2;..12.#...1;1-1-1;1-1-19;2-1 |
a240 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 23 00 00 00 31 3b 31 2d 31 2d 31 | -1;2-1-2;2-1-19;..13.#...1;1-1-1 |
a260 | 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 31 34 00 | ;1-1-19;2-1-1;2-1-2;2-1-19;..14. |
a280 | 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 | ....19;1-2-1;1-1-2;2-2-1;2-2-2;. |
a2a0 | 02 31 35 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 | .15.#...1;1-1-1;1-1-19;2-1-1;2-1 |
a2c0 | 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 31 36 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 | -2;2-1-19;..16.#...1;1-1-1;1-1-1 |
a2e0 | 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 | 9;2-1-1;2-1-2;2-1-19;....smiles. |
a300 | 24 00 00 00 4f 3d 43 31 43 28 3d 43 28 4e 32 43 43 32 29 43 28 3d 4f 29 43 3d 43 31 4e 31 43 43 | $...O=C1C(=C(N2CC2)C(=O)C=C1N1CC |
a320 | 31 29 4e 31 43 43 31 00 02 69 6e 63 68 69 00 54 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 | 1)N1CC1..inchi.T...InChI=1S/C12H |
a340 | 31 33 4e 33 4f 32 2f 63 31 36 2d 39 2d 37 2d 38 28 31 33 2d 31 2d 32 2d 31 33 29 31 32 28 31 37 | 13N3O2/c16-9-7-8(13-1-2-13)12(17 |
a360 | 29 31 31 28 31 35 2d 35 2d 36 2d 31 35 29 31 30 28 39 29 31 34 2d 33 2d 34 2d 31 34 2f 68 37 48 | )11(15-5-6-15)10(9)14-3-4-14/h7H |
a380 | 2c 31 2d 36 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 d5 ee 5e 46 50 01 00 00 09 63 72 65 61 | ,1-6H2..updated_at...^FP....crea |
a3a0 | 74 65 64 5f 61 74 00 d4 ee 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at...^FP....default_fingerpr |
a3c0 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 1c 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 | int_size..........._id.V..f+r.+@ |
a3e0 | 00 00 37 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 | ..7.warnings.......fingerprints. |
a400 | 29 02 00 00 04 4d 50 32 44 00 1e 02 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 | )....MP2D......0.....9;1-1-6;2-1 |
a420 | 2d 31 39 3b 00 02 31 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 | -19;..1.....6;1-1-9;1-1-19;2-1-1 |
a440 | 3b 32 2d 31 2d 33 3b 00 02 32 00 2e 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d | ;2-1-3;..2.....19;1-1-1;1-1-3;1- |
a460 | 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 | 1-6;2-2-1;2-1-2;2-2-3;2-1-9;..3. |
a480 | 28 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 | (...3;1-2-3;1-1-19;2-1-1;2-1-2;2 |
a4a0 | 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -2-3;2-1-6;..4.....3;1-2-3;2-2-3 |
a4c0 | 3b 32 2d 31 2d 31 39 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 | ;2-1-19;..5.....3;1-2-3;2-2-3;.. |
a4e0 | 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d | 6.....3;1-2-3;2-2-3;..7.....3;1- |
a500 | 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 38 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b | 2-3;2-1-2;2-2-3;..8.(...3;1-1-2; |
a520 | 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 | 1-2-3;2-1-1;2-1-2;2-2-3;2-1-19;. |
a540 | 02 39 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 | .9.!...2;1-1-1;1-1-2;1-1-3;2-1-1 |
a560 | 3b 32 2d 32 2d 33 3b 00 02 31 30 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d | ;2-2-3;..10."...2;1-1-1;1-1-2;2- |
a580 | 33 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 28 00 00 00 31 3b 31 2d 32 2d | 3-1;2-1-3;2-1-19;..11.(...1;1-2- |
a5a0 | 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 | 1;1-1-2;1-1-19;2-1-2;2-1-3;2-1-6 |
a5c0 | 3b 00 02 31 32 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d | ;..12.....1;1-1-1;2-1-1;2-1-2;2- |
a5e0 | 31 2d 31 39 3b 00 02 31 33 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d | 1-19;..13.....1;1-1-1;2-1-1;2-1- |
a600 | 32 3b 32 2d 31 2d 31 39 3b 00 02 31 34 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b | 2;2-1-19;..14.....1;1-1-2;2-1-2; |
a620 | 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1a 00 00 00 4f 3d 4e 4e 31 63 32 63 63 63 63 | 2-1-3;....smiles.....O=NN1c2cccc |
a640 | 63 32 43 28 3d 43 43 31 28 43 29 43 29 43 00 02 69 6e 63 68 69 00 49 00 00 00 49 6e 43 68 49 3d | c2C(=CC1(C)C)C..inchi.I...InChI= |
a660 | 31 53 2f 43 31 32 48 31 34 4e 32 4f 2f 63 31 2d 39 2d 38 2d 31 32 28 32 2c 33 29 31 34 28 31 33 | 1S/C12H14N2O/c1-9-8-12(2,3)14(13 |
a680 | 2d 31 35 29 31 31 2d 37 2d 35 2d 34 2d 36 2d 31 30 28 39 29 31 31 2f 68 34 2d 38 48 2c 31 2d 33 | -15)11-7-5-4-6-10(9)11/h4-8H,1-3 |
a6a0 | 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 dc ee 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | H3..updated_at...^FP....created_ |
a6c0 | 61 74 00 da ee 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at...^FP....default_fingerprint_ |
a6e0 | 73 69 7a 65 00 00 00 00 00 00 c5 02 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 38 04 | size..........._id.V..f+r.+@..8. |
a700 | 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ce 01 00 00 | warnings.......fingerprints..... |
a720 | 04 4d 50 32 44 00 c3 01 00 00 02 30 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b | .MP2D......0.....19;1-1-3;2-2-3; |
a740 | 00 02 31 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 | ..1.....3;1-2-3;1-1-19;2-2-3;2-1 |
a760 | 2d 31 39 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 | -19;..2.....3;1-2-3;2-2-3;2-1-19 |
a780 | 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 34 00 0f 00 00 00 33 | ;..3.....3;1-2-3;2-3-3;..4.....3 |
a7a0 | 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 | ;1-3-3;2-4-3;..5.....3;1-2-3;2-3 |
a7c0 | 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 36 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 | -3;2-1-19;..6.....3;1-2-3;1-1-19 |
a7e0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 | ;2-2-3;2-1-19;..7.....19;1-1-3;2 |
a800 | 2d 32 2d 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 39 00 0f | -2-3;..8.....3;1-3-3;2-4-3;..9.. |
a820 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d | ...3;1-2-3;2-3-3;..10.....3;1-2- |
a840 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b | 3;2-2-3;2-1-19;..11.....3;1-2-3; |
a860 | 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 32 00 1d 00 00 00 33 3b 31 | 1-1-19;2-2-3;2-1-19;..12.....3;1 |
a880 | 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 16 00 | -2-3;1-1-19;2-2-3;2-1-19;..13... |
a8a0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 34 00 10 00 00 00 | ..3;1-2-3;2-3-3;2-1-19;..14..... |
a8c0 | 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 | 19;1-1-3;2-2-3;..15.....19;1-1-3 |
a8e0 | 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1b 00 00 00 4e 63 31 63 63 63 28 63 63 31 | ;2-2-3;....smiles.....Nc1ccc(cc1 |
a900 | 4e 29 63 31 63 63 63 28 63 28 63 31 29 4e 29 4e 00 02 69 6e 63 68 69 00 4c 00 00 00 49 6e 43 68 | N)c1ccc(c(c1)N)N..inchi.L...InCh |
a920 | 49 3d 31 53 2f 43 31 32 48 31 34 4e 34 2f 63 31 33 2d 39 2d 33 2d 31 2d 37 28 35 2d 31 31 28 39 | I=1S/C12H14N4/c13-9-3-1-7(5-11(9 |
a940 | 29 31 35 29 38 2d 32 2d 34 2d 31 30 28 31 34 29 31 32 28 31 36 29 36 2d 38 2f 68 31 2d 36 48 2c | )15)8-2-4-10(14)12(16)6-8/h1-6H, |
a960 | 31 33 2d 31 36 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 e3 ee 5e 46 50 01 00 00 09 63 72 65 | 13-16H2..updated_at...^FP....cre |
a980 | 61 74 65 64 5f 61 74 00 e1 ee 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at...^FP....default_fingerp |
a9a0 | 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 09 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b | rint_size..........._id.V..f+r.+ |
a9c0 | 40 00 00 39 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 | @..9.warnings.......fingerprints |
a9e0 | 00 0c 02 00 00 04 4d 50 32 44 00 01 02 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d | ......MP2D......0.....8;1-2-1;2- |
aa00 | 33 2d 31 3b 00 02 31 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b | 3-1;..1.....1;1-1-1;1-1-8;2-2-1; |
aa20 | 32 2d 31 2d 38 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d | 2-1-8;..2.....1;1-2-1;1-1-8;2-1- |
aa40 | 31 3b 32 2d 32 2d 38 3b 00 02 33 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d | 1;2-2-8;..3.!...1;1-1-1;1-1-8;2- |
aa60 | 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b | 1-1;2-1-3;2-1-8;..4.....8;1-1-1; |
aa80 | 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 1b 00 00 00 33 3b 31 2d 32 2d | 1-1-3;2-1-1;2-2-3;..5.....3;1-2- |
aaa0 | 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d | 3;1-1-8;2-1-1;2-2-3;..6.....3;1- |
aac0 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b | 2-3;2-2-3;2-1-8;..7.....3;1-2-3; |
aae0 | 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 2-2-3;..8.....3;1-2-3;2-2-3;2-1- |
ab00 | 38 3b 00 02 39 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d | 8;..9.....3;1-2-3;1-1-8;2-1-1;2- |
ab20 | 32 2d 33 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 | 2-3;..10.....3;1-2-3;2-2-3;2-2-8 |
ab40 | 3b 00 02 31 31 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d | ;..11.....8;1-1-1;1-1-3;2-1-1;2- |
ab60 | 32 2d 33 3b 00 02 31 32 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 | 2-3;..12.!...1;1-1-1;1-1-8;2-1-1 |
ab80 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 33 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d | ;2-1-3;2-1-8;..13.....1;1-2-1;1- |
aba0 | 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 00 02 31 34 00 0f 00 00 00 38 3b 31 2d 32 2d 31 | 1-8;2-1-1;2-2-8;..14.....8;1-2-1 |
abc0 | 3b 32 2d 33 2d 31 3b 00 02 31 35 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d | ;2-3-1;..15.....1;1-1-1;1-1-8;2- |
abe0 | 32 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 4f 31 43 43 31 43 4f | 2-1;2-1-8;....smiles.....O1CC1CO |
ac00 | 63 31 63 63 63 63 28 63 31 29 4f 43 43 31 4f 43 31 00 02 69 6e 63 68 69 00 54 00 00 00 49 6e 43 | c1cccc(c1)OCC1OC1..inchi.T...InC |
ac20 | 68 49 3d 31 53 2f 43 31 32 48 31 34 4f 34 2f 63 31 2d 32 2d 39 28 31 33 2d 35 2d 31 31 2d 37 2d | hI=1S/C12H14O4/c1-2-9(13-5-11-7- |
ac40 | 31 35 2d 31 31 29 34 2d 31 30 28 33 2d 31 29 31 34 2d 36 2d 31 32 2d 38 2d 31 36 2d 31 32 2f 68 | 15-11)4-10(3-1)14-6-12-8-16-12/h |
ac60 | 31 2d 34 2c 31 31 2d 31 32 48 2c 35 2d 38 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 ea ee 5e | 1-4,11-12H,5-8H2..updated_at...^ |
ac80 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e8 ee 5e 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at...^FP....defaul |
aca0 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 0c 03 00 00 07 5f 69 64 | t_fingerprint_size..........._id |
acc0 | 00 56 16 1c 66 2b 72 ed 2b 40 00 00 3a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..f+r.+@..:.warnings.......fin |
ace0 | 67 65 72 70 72 69 6e 74 73 00 10 02 00 00 04 4d 50 32 44 00 05 02 00 00 02 30 00 0f 00 00 00 31 | gerprints......MP2D......0.....1 |
ad00 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | ;1-1-1;2-1-8;..1.....1;1-1-1;1-1 |
ad20 | 2d 38 3b 32 2d 31 2d 32 3b 00 02 32 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 | -8;2-1-2;..2.....8;1-1-1;1-1-2;2 |
ad40 | 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 | -2-1;2-1-9;..3.!...2;1-1-1;1-1-8 |
ad60 | 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 00 15 00 00 00 39 3b 31 2d 31 | ;1-1-9;2-3-1;2-1-8;..4.....9;1-1 |
ad80 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 27 00 00 00 31 3b 31 2d 32 2d 31 3b 31 | -2;2-1-1;2-1-8;..5.'...1;1-2-1;1 |
ada0 | 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 36 | -1-2;1-1-8;2-1-3;2-1-8;2-1-9;..6 |
adc0 | 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 | .!...8;1-1-1;1-1-3;2-2-1;2-1-2;2 |
ade0 | 2d 32 2d 33 3b 00 02 37 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 | -2-3;..7.....3;1-2-3;1-1-8;2-1-1 |
ae00 | 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | ;2-2-3;..8.....3;1-2-3;2-2-3;2-1 |
ae20 | 2d 38 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b | -8;..9.....3;1-2-3;2-2-3;2-1-15; |
ae40 | 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 | ..10.....3;1-2-3;1-1-15;2-2-3;.. |
ae60 | 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 32 | 11.....3;1-2-3;2-2-3;2-1-15;..12 |
ae80 | 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 33 00 10 00 | .....3;1-2-3;2-2-3;2-1-8;..13... |
aea0 | 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 1b 00 00 00 31 3b 31 2d 31 2d | ..15;1-1-3;2-2-3;..14.....1;1-1- |
aec0 | 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 35 00 1b 00 00 00 31 3b 31 | 1;2-1-1;2-1-2;2-1-8;..15.....1;1 |
aee0 | 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 | -1-1;2-1-1;2-1-2;2-1-8;....smile |
af00 | 73 00 1d 00 00 00 43 43 4f 43 28 3d 4f 29 43 28 4f 63 31 63 63 63 28 63 63 31 29 43 6c 29 28 43 | s.....CCOC(=O)C(Oc1ccc(cc1)Cl)(C |
af20 | 29 43 00 02 69 6e 63 68 69 00 4f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 35 43 6c 4f | )C..inchi.O...InChI=1S/C12H15ClO |
af40 | 33 2f 63 31 2d 34 2d 31 35 2d 31 31 28 31 34 29 31 32 28 32 2c 33 29 31 36 2d 31 30 2d 37 2d 35 | 3/c1-4-15-11(14)12(2,3)16-10-7-5 |
af60 | 2d 39 28 31 33 29 36 2d 38 2d 31 30 2f 68 35 2d 38 48 2c 34 48 32 2c 31 2d 33 48 33 00 09 75 70 | -9(13)6-8-10/h5-8H,4H2,1-3H3..up |
af80 | 64 61 74 65 64 5f 61 74 00 f0 ee 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ef ee 5e | dated_at...^FP....created_at...^ |
afa0 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
afc0 | 00 00 00 00 17 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 3b 04 77 61 72 6e 69 6e | ........._id.V..f+r.+@..;.warnin |
afe0 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 0d 02 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
b000 | 02 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 35 3b 00 02 31 00 15 00 00 | .....0.....1;1-1-5;2-1-5;..1.... |
b020 | 00 35 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 00 02 32 00 1b 00 00 00 35 3b 31 | .5;1-1-1;1-1-5;2-1-1;..2.....5;1 |
b040 | 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 00 1b 00 00 00 31 | -1-1;1-1-5;2-1-1;2-1-3;..3.....1 |
b060 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 00 02 34 00 1b 00 00 | ;1-1-3;1-1-5;2-2-3;2-1-5;..4.... |
b080 | 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 00 02 35 00 15 | .3;1-1-1;1-2-3;2-2-3;2-1-5;..5.. |
b0a0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 33 | ...3;1-2-3;2-1-1;2-2-3;..6.....3 |
b0c0 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 22 00 00 00 33 3b 31 2d 31 | ;1-2-3;2-1-2;2-2-3;..7."...3;1-1 |
b0e0 | 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 38 00 | -2;1-2-3;2-2-3;2-1-9;2-1-28;..8. |
b100 | 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 39 00 15 00 00 00 | ....3;1-2-3;2-1-2;2-2-3;..9..... |
b120 | 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 22 00 00 00 32 3b 31 | 3;1-2-3;2-1-1;2-2-3;..10."...2;1 |
b140 | 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 | -1-3;1-1-9;1-1-28;2-1-1;2-2-3;.. |
b160 | 31 31 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 32 | 11.....9;1-1-2;2-1-3;2-1-28;..12 |
b180 | 00 22 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b | ."...28;1-1-1;1-1-2;2-2-1;2-1-3; |
b1a0 | 32 2d 31 2d 39 3b 00 02 31 33 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d | 2-1-9;..13.....1;1-2-1;1-1-28;2- |
b1c0 | 31 2d 32 3b 00 02 31 34 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 | 1-2;..14.....1;1-1-1;2-1-1;2-1-2 |
b1e0 | 38 3b 00 02 31 35 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b | 8;..15.....1;1-1-1;2-1-1;2-1-28; |
b200 | 00 00 00 02 73 6d 69 6c 65 73 00 1a 00 00 00 43 4e 4e 43 63 31 63 63 63 28 63 63 31 29 43 28 3d | ....smiles.....CNNCc1ccc(cc1)C(= |
b220 | 4f 29 4e 43 28 43 29 43 00 02 69 6e 63 68 69 00 60 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 | O)NC(C)C..inchi.`...InChI=1S/C12 |
b240 | 48 31 39 4e 33 4f 2f 63 31 2d 39 28 32 29 31 35 2d 31 32 28 31 36 29 31 31 2d 36 2d 34 2d 31 30 | H19N3O/c1-9(2)15-12(16)11-6-4-10 |
b260 | 28 35 2d 37 2d 31 31 29 38 2d 31 34 2d 31 33 2d 33 2f 68 34 2d 37 2c 39 2c 31 33 2d 31 34 48 2c | (5-7-11)8-14-13-3/h4-7,9,13-14H, |
b280 | 38 48 32 2c 31 2d 33 48 33 2c 28 48 2c 31 35 2c 31 36 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 | 8H2,1-3H3,(H,15,16)..updated_at. |
b2a0 | f6 ee 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f5 ee 5e 46 50 01 00 00 10 64 65 66 | ..^FP....created_at...^FP....def |
b2c0 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 f7 02 00 00 07 | ault_fingerprint_size........... |
b2e0 | 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 3c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..f+r.+@..<.warnings....... |
b300 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 f4 01 00 00 04 4d 50 32 44 00 e9 01 00 00 02 30 00 15 00 | fingerprints......MP2D......0... |
b320 | 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 00 21 00 00 00 31 3b | ..8;1-1-1;2-1-1;2-1-3;..1.!...1; |
b340 | 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 00 02 | 1-1-1;1-1-3;1-1-8;2-2-3;2-1-5;.. |
b360 | 32 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | 2.!...3;1-1-1;1-2-3;2-1-1;2-2-3; |
b380 | 32 2d 31 2d 38 3b 00 02 33 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | 2-1-8;..3.....3;1-2-3;2-1-1;2-2- |
b3a0 | 33 3b 32 2d 31 2d 38 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d | 3;2-1-8;..4.....3;1-2-3;1-1-8;2- |
b3c0 | 32 2d 33 3b 00 02 35 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 | 2-3;..5.....8;1-1-3;2-2-3;..6... |
b3e0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b 00 02 37 00 15 00 00 00 33 3b | ..3;1-2-3;2-2-3;2-2-8;..7.....3; |
b400 | 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 00 02 38 00 1b 00 00 00 33 3b 31 2d 32 2d | 1-2-3;1-1-8;2-2-3;..8.....3;1-2- |
b420 | 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 0f 00 00 00 38 3b 31 2d | 3;2-1-1;2-2-3;2-1-8;..9.....8;1- |
b440 | 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 | 1-3;2-2-3;..10.!...1;1-1-1;1-1-5 |
b460 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 31 00 0f 00 00 00 35 3b 31 2d | ;2-1-1;2-1-3;2-1-8;..11.....5;1- |
b480 | 32 2d 31 3b 32 2d 34 2d 31 3b 00 02 31 32 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 35 | 2-1;2-4-1;..12.....1;1-3-1;1-1-5 |
b4a0 | 3b 32 2d 31 2d 31 3b 00 02 31 33 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d | ;2-1-1;..13.....1;1-1-1;2-2-1;2- |
b4c0 | 31 2d 35 3b 00 02 31 34 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 | 1-5;..14.....1;1-1-1;2-2-1;2-1-5 |
b4e0 | 3b 00 02 31 35 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 00 | ;..15.....1;1-1-1;2-2-1;2-1-5;.. |
b500 | 00 02 73 6d 69 6c 65 73 00 1d 00 00 00 4f 43 28 63 31 63 63 28 4f 29 63 63 28 63 31 29 4f 29 43 | ..smiles.....OC(c1cc(O)cc(c1)O)C |
b520 | 4e 43 28 43 29 28 43 29 43 00 02 69 6e 63 68 69 00 56 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 | NC(C)(C)C..inchi.V...InChI=1S/C1 |
b540 | 32 48 31 39 4e 4f 33 2f 63 31 2d 31 32 28 32 2c 33 29 31 33 2d 37 2d 31 31 28 31 36 29 38 2d 34 | 2H19NO3/c1-12(2,3)13-7-11(16)8-4 |
b560 | 2d 39 28 31 34 29 36 2d 31 30 28 31 35 29 35 2d 38 2f 68 34 2d 36 2c 31 31 2c 31 33 2d 31 36 48 | -9(14)6-10(15)5-8/h4-6,11,13-16H |
b580 | 2c 37 48 32 2c 31 2d 33 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 fc ee 5e 46 50 01 00 00 09 | ,7H2,1-3H3..updated_at...^FP.... |
b5a0 | 63 72 65 61 74 65 64 5f 61 74 00 fb ee 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at...^FP....default_fing |
b5c0 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 78 02 00 00 07 5f 69 64 00 56 16 1c 66 2b | erprint_size......x...._id.V..f+ |
b5e0 | 72 ed 2b 40 00 00 3d 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.+@..=.warnings.......fingerpri |
b600 | 6e 74 73 00 8f 01 00 00 04 4d 50 32 44 00 84 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 | nts......MP2D......0.....1;1-1-1 |
b620 | 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 | ;2-1-1;..1.....1;1-2-1;2-1-1;..2 |
b640 | 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 00 0f 00 00 00 31 3b 31 2d 32 | .....1;1-2-1;2-2-1;..3.....1;1-2 |
b660 | 2d 31 3b 32 2d 32 2d 31 3b 00 02 34 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 | -1;2-2-1;..4.....1;1-2-1;2-2-1;. |
b680 | 02 35 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 36 00 0f 00 00 00 31 3b 31 | .5.....1;1-2-1;2-2-1;..6.....1;1 |
b6a0 | 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 | -2-1;2-2-1;..7.....1;1-2-1;2-2-1 |
b6c0 | 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 39 00 16 00 00 00 31 | ;..8.....1;1-2-1;2-2-1;..9.....1 |
b6e0 | 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 1c 00 00 00 31 3b 31 | ;1-2-1;2-1-1;2-1-19;..10.....1;1 |
b700 | 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 31 00 1c 00 00 | -1-1;1-1-19;2-2-1;2-1-6;..11.... |
b720 | 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 31 32 | .19;1-2-1;1-1-6;2-1-1;2-1-9;..12 |
b740 | 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 31 33 00 10 | .....6;1-1-9;1-1-19;2-2-1;..13.. |
b760 | 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 34 00 16 00 00 00 31 3b 31 2d 31 | ...9;1-1-6;2-1-19;..14.....1;1-1 |
b780 | 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 13 00 00 00 43 | -19;2-1-1;2-1-6;....smiles.....C |
b7a0 | 43 43 43 43 43 43 43 43 43 43 4e 28 4e 3d 4f 29 43 00 02 69 6e 63 68 69 00 46 00 00 00 49 6e 43 | CCCCCCCCCCN(N=O)C..inchi.F...InC |
b7c0 | 68 49 3d 31 53 2f 43 31 32 48 32 36 4e 32 4f 2f 63 31 2d 33 2d 34 2d 35 2d 36 2d 37 2d 38 2d 39 | hI=1S/C12H26N2O/c1-3-4-5-6-7-8-9 |
b7e0 | 2d 31 30 2d 31 31 2d 31 32 2d 31 34 28 32 29 31 33 2d 31 35 2f 68 33 2d 31 32 48 32 2c 31 2d 32 | -10-11-12-14(2)13-15/h3-12H2,1-2 |
b800 | 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 02 ef 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | H3..updated_at...^FP....created_ |
b820 | 61 74 00 01 ef 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at...^FP....default_fingerprint_ |
b840 | 73 69 7a 65 00 00 00 00 00 00 fa 02 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 3e 04 | size..........._id.V..f+r.+@..>. |
b860 | 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 07 02 00 00 | warnings.......fingerprints..... |
b880 | 04 4d 50 32 44 00 fc 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 | .MP2D......0.....1;1-1-1;2-1-1;. |
b8a0 | 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 00 15 00 00 00 31 3b 31 | .1.....1;1-2-1;2-1-1;..2.....1;1 |
b8c0 | 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 00 1c 00 00 00 31 3b 31 2d 31 2d 31 | -2-1;2-1-1;2-1-8;..3.....1;1-1-1 |
b8e0 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 32 3b 00 02 34 00 22 00 00 00 38 3b 31 2d | ;1-1-8;2-1-1;2-1-12;..4."...8;1- |
b900 | 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 | 1-1;1-1-12;2-1-1;2-2-8;2-1-9;..5 |
b920 | 00 16 00 00 00 31 32 3b 31 2d 33 2d 38 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b 00 02 36 00 10 00 | .....12;1-3-8;1-1-9;2-3-1;..6... |
b940 | 00 00 39 3b 31 2d 31 2d 31 32 3b 32 2d 33 2d 38 3b 00 02 37 00 22 00 00 00 38 3b 31 2d 31 2d 31 | ..9;1-1-12;2-3-8;..7."...8;1-1-1 |
b960 | 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 38 00 1c 00 | ;1-1-12;2-1-1;2-2-8;2-1-9;..8... |
b980 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 32 3b 00 02 39 | ..1;1-1-1;1-1-8;2-1-1;2-1-12;..9 |
b9a0 | 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 30 00 0f 00 | .....1;1-2-1;2-1-1;2-1-8;..10... |
b9c0 | 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 31 00 0f 00 00 00 31 3b 31 2d 31 2d 31 | ..1;1-2-1;2-1-1;..11.....1;1-1-1 |
b9e0 | 3b 32 2d 31 2d 31 3b 00 02 31 32 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 | ;2-1-1;..12."...8;1-1-1;1-1-12;2 |
ba00 | 2d 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 33 00 1c 00 00 00 31 3b 31 2d 31 2d | -1-1;2-2-8;2-1-9;..13.....1;1-1- |
ba20 | 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 32 3b 00 02 31 34 00 15 00 00 00 31 3b | 1;1-1-8;2-1-1;2-1-12;..14.....1; |
ba40 | 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 35 00 0f 00 00 00 31 3b 31 2d 32 | 1-2-1;2-1-1;2-1-8;..15.....1;1-2 |
ba60 | 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 36 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b | -1;2-1-1;..16.....1;1-1-1;2-1-1; |
ba80 | 00 00 00 02 73 6d 69 6c 65 73 00 17 00 00 00 43 43 43 43 4f 50 28 3d 4f 29 28 4f 43 43 43 43 29 | ....smiles.....CCCCOP(=O)(OCCCC) |
baa0 | 4f 43 43 43 43 00 02 69 6e 63 68 69 00 4c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 32 37 | OCCCC..inchi.L...InChI=1S/C12H27 |
bac0 | 4f 34 50 2f 63 31 2d 34 2d 37 2d 31 30 2d 31 34 2d 31 37 28 31 33 2c 31 35 2d 31 31 2d 38 2d 35 | O4P/c1-4-7-10-14-17(13,15-11-8-5 |
bae0 | 2d 32 29 31 36 2d 31 32 2d 39 2d 36 2d 33 2f 68 34 2d 31 32 48 32 2c 31 2d 33 48 33 00 09 75 70 | -2)16-12-9-6-3/h4-12H2,1-3H3..up |
bb00 | 64 61 74 65 64 5f 61 74 00 08 ef 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 06 ef 5e | dated_at...^FP....created_at...^ |
bb20 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
bb40 | 00 00 00 00 cb 02 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 3f 04 77 61 72 6e 69 6e | ........._id.V..f+r.+@..?.warnin |
bb60 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 d6 01 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
bb80 | cb 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 | .....0.....1;1-1-8;2-1-3;..1.... |
bba0 | 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 21 00 00 00 33 3b 31 | .8;1-1-1;1-1-3;2-2-3;..2.!...3;1 |
bbc0 | 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 33 | -2-3;1-1-8;2-1-1;2-2-3;2-2-9;..3 |
bbe0 | 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 34 2d 33 3b 32 2d 31 2d 38 3b 00 | .....3;1-2-3;1-1-9;2-4-3;2-1-8;. |
bc00 | 02 34 00 15 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 35 00 15 | .4.....9;1-2-3;2-3-3;2-1-9;..5.. |
bc20 | 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 39 | ...3;1-1-3;1-2-9;2-2-3;..6.....9 |
bc40 | 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 | ;1-1-3;2-1-3;2-1-9;..7.....3;1-2 |
bc60 | 2d 33 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | -3;2-1-3;2-2-9;..8.....3;1-2-3;2 |
bc80 | 2d 33 2d 33 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 | -3-3;..9.....3;1-3-3;2-3-3;2-1-9 |
bca0 | 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 31 00 15 00 00 | ;..10.....3;1-2-3;2-4-3;..11.... |
bcc0 | 00 33 3b 31 2d 33 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 32 00 1b 00 00 00 33 3b | .3;1-3-3;2-3-3;2-1-9;..12.....3; |
bce0 | 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 34 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 33 00 0f 00 00 | 1-2-3;1-1-9;2-4-3;2-1-8;..13.... |
bd00 | 00 39 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 34 00 15 00 00 00 33 3b 31 2d 31 2d 33 3b | .9;1-2-3;2-3-3;..14.....3;1-1-3; |
bd20 | 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 1-1-9;2-2-3;..15.....3;1-2-3;2-2 |
bd40 | 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 1a 00 00 00 43 4f 63 31 63 32 6f 63 | -3;2-1-9;....smiles.....COc1c2oc |
bd60 | 28 3d 4f 29 63 63 63 32 63 63 32 63 31 6f 63 63 32 00 02 69 6e 63 68 69 00 4b 00 00 00 49 6e 43 | (=O)ccc2cc2c1occ2..inchi.K...InC |
bd80 | 68 49 3d 31 53 2f 43 31 32 48 38 4f 34 2f 63 31 2d 31 34 2d 31 32 2d 31 30 2d 38 28 34 2d 35 2d | hI=1S/C12H8O4/c1-14-12-10-8(4-5- |
bda0 | 31 35 2d 31 30 29 36 2d 37 2d 32 2d 33 2d 39 28 31 33 29 31 36 2d 31 31 28 37 29 31 32 2f 68 32 | 15-10)6-7-2-3-9(13)16-11(7)12/h2 |
bdc0 | 2d 36 48 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 0e ef 5e 46 50 01 00 00 09 63 72 65 | -6H,1H3..updated_at...^FP....cre |
bde0 | 61 74 65 64 5f 61 74 00 0d ef 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at...^FP....default_fingerp |
be00 | 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 ce 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b | rint_size..........._id.V..f+r.+ |
be20 | 40 00 00 40 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 | @..@.warnings.......fingerprints |
be40 | 00 b9 02 00 00 04 4d 50 32 44 00 ae 02 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 | ......MP2D......0.....9;1-1-19;2 |
be60 | 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 00 1d 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d | -1-3;2-1-9;..1.....19;1-1-3;1-2- |
be80 | 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 32 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b | 9;2-1-3;2-1-18;..2.....9;1-1-19; |
bea0 | 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d | 2-1-3;2-1-9;..3.#...3;1-1-3;1-1- |
bec0 | 31 38 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 34 00 1d 00 00 00 33 3b | 18;1-1-19;2-2-3;2-2-9;..4.....3; |
bee0 | 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 31 39 3b 00 02 35 00 1c 00 | 1-2-3;2-1-3;2-1-18;2-1-19;..5... |
bf00 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 36 | ..3;1-2-3;2-1-1;2-1-3;2-1-18;..6 |
bf20 | 00 29 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 33 3b | .)...3;1-1-1;1-1-3;1-1-18;2-2-3; |
bf40 | 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 37 00 1d 00 00 00 31 38 3b 31 2d 32 2d 33 3b 32 2d | 2-1-6;2-1-19;..7.....18;1-2-3;2- |
bf60 | 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 38 00 29 00 00 00 31 3b 31 2d 31 2d 33 | 1-1;2-2-3;2-1-19;..8.)...1;1-1-3 |
bf80 | 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 38 | ;1-1-6;1-1-19;2-1-2;2-2-3;2-1-18 |
bfa0 | 3b 00 02 39 00 1c 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 33 2d 33 3b 32 2d | ;..9.....19;1-1-1;1-1-3;2-3-3;2- |
bfc0 | 31 2d 36 3b 00 02 31 30 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d | 1-6;..10."...3;1-2-3;1-1-19;2-1- |
bfe0 | 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 1;2-1-2;2-2-3;..11.....3;1-2-3;2 |
c000 | 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | -2-3;2-1-19;..12.....3;1-2-3;2-2 |
c020 | 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 15 | -3;..13.....3;1-2-3;2-2-3;..14.. |
c040 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 35 00 28 00 00 00 | ...3;1-2-3;2-1-2;2-2-3;..15.(... |
c060 | 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b | 3;1-1-2;1-2-3;2-2-3;2-1-6;2-1-9; |
c080 | 32 2d 31 2d 31 39 3b 00 02 31 36 00 21 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 31 2d | 2-1-19;..16.!...2;1-1-3;1-1-6;1- |
c0a0 | 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 37 00 22 00 00 00 36 3b 31 2d 31 2d 31 | 1-9;2-1-1;2-2-3;..17."...6;1-1-1 |
c0c0 | 3b 31 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 38 00 15 | ;1-1-2;2-2-3;2-1-9;2-1-19;..18.. |
c0e0 | 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 | ...9;1-1-2;2-1-3;2-1-6;....smile |
c100 | 73 00 23 00 00 00 4f 3d 4e 28 3d 4f 29 63 31 63 63 63 28 73 31 29 43 31 4e 63 32 63 63 63 63 63 | s.#...O=N(=O)c1ccc(s1)C1Nc2ccccc |
c120 | 32 43 28 3d 4e 31 29 4f 00 02 69 6e 63 68 69 00 62 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 | 2C(=N1)O..inchi.b...InChI=1S/C12 |
c140 | 48 39 4e 33 4f 33 53 2f 63 31 36 2d 31 32 2d 37 2d 33 2d 31 2d 32 2d 34 2d 38 28 37 29 31 33 2d | H9N3O3S/c16-12-7-3-1-2-4-8(7)13- |
c160 | 31 31 28 31 34 2d 31 32 29 39 2d 35 2d 36 2d 31 30 28 31 39 2d 39 29 31 35 28 31 37 29 31 38 2f | 11(14-12)9-5-6-10(19-9)15(17)18/ |
c180 | 68 31 2d 36 2c 31 31 2c 31 33 48 2c 28 48 2c 31 34 2c 31 36 29 00 09 75 70 64 61 74 65 64 5f 61 | h1-6,11,13H,(H,14,16)..updated_a |
c1a0 | 74 00 15 ef 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 13 ef 5e 46 50 01 00 00 10 64 | t...^FP....created_at...^FP....d |
c1c0 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 6e 02 00 | efault_fingerprint_size......n.. |
c1e0 | 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 41 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V..f+r.+@..A.warnings..... |
c200 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 82 01 00 00 04 4d 50 32 44 00 77 01 00 00 02 30 00 | ..fingerprints......MP2D.w....0. |
c220 | 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 | ....19;1-1-3;2-2-3;..1.....3;1-2 |
c240 | 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;1-1-19;2-2-3;..2.....3;1-2-3; |
c260 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 | 2-2-3;2-1-19;..3.....3;1-2-3;2-3 |
c280 | 2d 33 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 39 3b 00 | -3;..4.....3;1-3-3;2-4-3;2-1-9;. |
c2a0 | 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 34 2d 33 3b 00 02 36 00 1c | .5.....3;1-2-3;1-1-9;2-4-3;..6.. |
c2c0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 | ...3;1-2-3;2-2-3;2-1-9;2-1-19;.. |
c2e0 | 37 00 0f 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 2d | 7.....9;1-2-3;2-4-3;..8.....3;1- |
c300 | 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 34 2d 33 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b | 2-3;1-1-9;2-4-3;..9.....3;1-3-3; |
c320 | 32 2d 34 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 | 2-4-3;2-1-9;..10.....3;1-2-3;2-3 |
c340 | 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 0f | -3;..11.....3;1-2-3;2-2-3;..12.. |
c360 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d | ...3;1-2-3;2-2-3;..13.....3;1-2- |
c380 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 17 00 00 00 4e 63 31 | 3;2-2-3;2-1-9;....smiles.....Nc1 |
c3a0 | 63 63 63 32 63 28 63 31 29 6f 63 31 63 32 63 63 63 63 31 00 02 69 6e 63 68 69 00 45 00 00 00 49 | ccc2c(c1)oc1c2cccc1..inchi.E...I |
c3c0 | 6e 43 68 49 3d 31 53 2f 43 31 32 48 39 4e 4f 2f 63 31 33 2d 38 2d 35 2d 36 2d 31 30 2d 39 2d 33 | nChI=1S/C12H9NO/c13-8-5-6-10-9-3 |
c3e0 | 2d 31 2d 32 2d 34 2d 31 31 28 39 29 31 34 2d 31 32 28 31 30 29 37 2d 38 2f 68 31 2d 37 48 2c 31 | -1-2-4-11(9)14-12(10)7-8/h1-7H,1 |
c400 | 33 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 1b ef 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 | 3H2..updated_at...^FP....created |
c420 | 5f 61 74 00 1a ef 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...^FP....default_fingerprint |
c440 | 5f 73 69 7a 65 00 00 00 00 00 00 bd 02 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 42 | _size..........._id.V..f+r.+@..B |
c460 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c5 01 00 | .warnings.......fingerprints.... |
c480 | 00 04 4d 50 32 44 00 ba 01 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 | ..MP2D......0.....9;1-1-19;2-1-3 |
c4a0 | 3b 32 2d 31 2d 39 3b 00 02 31 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d | ;2-1-9;..1.....19;1-1-3;1-2-9;2- |
c4c0 | 32 2d 33 3b 00 02 32 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 | 2-3;..2.....9;1-1-19;2-1-3;2-1-9 |
c4e0 | 3b 00 02 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 33 2d 33 3b 32 2d | ;..3.....3;1-2-3;1-1-19;2-3-3;2- |
c500 | 32 2d 39 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 | 2-9;..4.....3;1-2-3;2-2-3;2-1-19 |
c520 | 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 | ;..5.....3;1-2-3;2-1-1;2-2-3;..6 |
c540 | 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 | .....3;1-1-1;1-2-3;2-1-1;2-3-3;. |
c560 | 02 37 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 32 2d 31 3b 32 2d 34 2d 33 3b 00 02 38 00 16 | .7.....3;1-3-3;2-2-1;2-4-3;..8.. |
c580 | 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 39 00 0f 00 00 00 | ...3;1-3-3;2-4-3;2-1-19;..9..... |
c5a0 | 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-2-3;2-3-3;..10.....3;1-2-3;2 |
c5c0 | 2d 32 2d 33 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | -2-3;..11.....3;1-2-3;2-1-1;2-2- |
c5e0 | 33 3b 00 02 31 32 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 | 3;..12.....3;1-1-1;1-2-3;2-1-1;2 |
c600 | 2d 33 2d 33 3b 00 02 31 33 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 33 2d | -3-3;..13.....1;1-1-1;1-1-3;2-3- |
c620 | 33 3b 00 02 31 34 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 33 2d 33 3b 00 | 3;..14.....1;1-1-1;1-1-3;2-3-3;. |
c640 | 00 00 02 73 6d 69 6c 65 73 00 1a 00 00 00 4f 3d 4e 28 3d 4f 29 63 31 63 63 63 32 63 33 63 31 63 | ...smiles.....O=N(=O)c1ccc2c3c1c |
c660 | 63 63 63 33 43 43 32 00 02 69 6e 63 68 69 00 4e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 | ccc3CC2..inchi.N...InChI=1S/C12H |
c680 | 39 4e 4f 32 2f 63 31 34 2d 31 33 28 31 35 29 31 31 2d 37 2d 36 2d 39 2d 35 2d 34 2d 38 2d 32 2d | 9NO2/c14-13(15)11-7-6-9-5-4-8-2- |
c6a0 | 31 2d 33 2d 31 30 28 31 31 29 31 32 28 38 29 39 2f 68 31 2d 33 2c 36 2d 37 48 2c 34 2d 35 48 32 | 1-3-10(11)12(8)9/h1-3,6-7H,4-5H2 |
c6c0 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 21 ef 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.!.^FP....created_at |
c6e0 | 00 20 ef 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | ...^FP....default_fingerprint_si |
c700 | 7a 65 00 00 00 00 00 00 c8 02 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 43 04 77 61 | ze..........._id.V..f+r.+@..C.wa |
c720 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ce 01 00 00 04 4d | rnings.......fingerprints......M |
c740 | 50 32 44 00 c3 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 | P2D......0.....1;1-1-8;2-1-3;..1 |
c760 | 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 22 00 00 | .....8;1-1-1;1-1-3;2-2-3;..2.".. |
c780 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | .3;1-2-3;1-1-8;2-1-1;2-2-3;2-1-1 |
c7a0 | 39 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 00 02 | 9;..3.....3;1-2-3;2-3-3;2-1-8;.. |
c7c0 | 34 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 39 3b 00 02 35 00 15 00 | 4.....3;1-3-3;2-4-3;2-1-9;..5... |
c7e0 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 34 2d 33 3b 00 02 36 00 1c 00 00 00 33 3b | ..3;1-2-3;1-1-9;2-4-3;..6.....3; |
c800 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 37 00 1c 00 00 | 1-2-3;2-2-3;2-1-9;2-1-19;..7.... |
c820 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 | .3;1-2-3;1-1-19;2-2-3;2-1-8;..8. |
c840 | 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 39 3b 31 2d 32 | ....19;1-1-3;2-2-3;..9.....9;1-2 |
c860 | 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b | -3;2-4-3;..10.....3;1-2-3;1-1-9; |
c880 | 32 2d 34 2d 33 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 | 2-4-3;..11.....3;1-3-3;2-4-3;2-1 |
c8a0 | 2d 39 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 33 00 0f | -9;..12.....3;1-2-3;2-3-3;..13.. |
c8c0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d | ...3;1-2-3;2-2-3;..14.....3;1-2- |
c8e0 | 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 3;2-2-3;..15.....3;1-2-3;2-2-3;2 |
c900 | 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 43 4f 63 31 63 63 32 63 28 63 63 31 | -1-9;....smiles.....COc1cc2c(cc1 |
c920 | 4e 29 6f 63 31 63 32 63 63 63 63 31 00 02 69 6e 63 68 69 00 51 00 00 00 49 6e 43 68 49 3d 31 53 | N)oc1c2cccc1..inchi.Q...InChI=1S |
c940 | 2f 43 31 33 48 31 31 4e 4f 32 2f 63 31 2d 31 35 2d 31 33 2d 36 2d 39 2d 38 2d 34 2d 32 2d 33 2d | /C13H11NO2/c1-15-13-6-9-8-4-2-3- |
c960 | 35 2d 31 31 28 38 29 31 36 2d 31 32 28 39 29 37 2d 31 30 28 31 33 29 31 34 2f 68 32 2d 37 48 2c | 5-11(8)16-12(9)7-10(13)14/h2-7H, |
c980 | 31 34 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 28 ef 5e 46 50 01 00 00 09 63 72 | 14H2,1H3..updated_at.(.^FP....cr |
c9a0 | 65 61 74 65 64 5f 61 74 00 26 ef 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at.&.^FP....default_finger |
c9c0 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 a1 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed | print_size..........._id.V..f+r. |
c9e0 | 2b 40 00 00 44 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | +@..D.warnings.......fingerprint |
ca00 | 73 00 89 02 00 00 04 4d 50 32 44 00 7e 02 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 | s......MP2D.~....0.....1;1-1-1;2 |
ca20 | 2d 31 2d 31 31 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 31 3b 32 2d 32 | -1-11;..1.....1;1-1-1;1-1-11;2-2 |
ca40 | 2d 33 3b 00 02 32 00 1c 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b | -3;..2.....11;1-1-1;1-2-3;2-1-1; |
ca60 | 32 2d 33 2d 33 3b 00 02 33 00 22 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 | 2-3-3;..3."...3;1-1-3;1-1-11;2-1 |
ca80 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 00 29 00 00 00 33 3b 31 2d 31 2d 32 3b 31 | -1;2-1-2;2-2-3;..4.)...3;1-1-2;1 |
caa0 | 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 32 2d 32 2d 33 32 3b 00 | -2-3;2-1-3;2-1-9;2-1-11;2-2-32;. |
cac0 | 02 35 00 16 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 32 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 36 00 | .5.....2;1-1-3;1-2-32;2-2-3;..6. |
cae0 | 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 37 00 17 00 | ....32;1-1-2;2-1-3;2-1-32;..7... |
cb00 | 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 38 00 1b 00 00 00 | ..32;1-1-2;2-1-3;2-1-32;..8..... |
cb20 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 02 39 00 0f 00 | 3;1-2-3;1-1-9;2-1-2;2-3-3;..9... |
cb40 | 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 2d 33 2d 33 | ..9;1-1-3;2-2-3;..10.....3;1-3-3 |
cb60 | 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 1c 00 00 00 33 3b 31 | ;2-3-3;2-1-9;2-1-11;..11.....3;1 |
cb80 | 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 34 2d 33 3b 00 02 31 32 00 1c 00 00 | -2-3;1-1-11;2-1-1;2-4-3;..12.... |
cba0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 31 33 | .3;1-2-3;2-2-3;2-1-8;2-1-11;..13 |
cbc0 | 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 | .!...3;1-2-3;1-1-8;2-1-1;2-2-3;2 |
cbe0 | 2d 31 2d 38 3b 00 02 31 34 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d | -1-8;..14.....8;1-1-1;1-1-3;2-2- |
cc00 | 33 3b 32 2d 31 2d 38 3b 00 02 31 35 00 0f 00 00 00 31 3b 31 2d 32 2d 38 3b 32 2d 32 2d 33 3b 00 | 3;2-1-8;..15.....1;1-2-8;2-2-3;. |
cc20 | 02 31 36 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | .16.....8;1-1-1;1-1-3;2-2-3;2-1- |
cc40 | 38 3b 00 02 31 37 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 | 8;..17.!...3;1-2-3;1-1-8;2-1-1;2 |
cc60 | 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d | -2-3;2-1-8;..18.....3;1-2-3;2-3- |
cc80 | 33 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 22 00 00 00 43 43 6e 31 63 63 28 43 28 | 3;2-1-8;....smiles."...CCn1cc(C( |
cca0 | 3d 4f 29 4f 29 63 28 3d 4f 29 63 32 63 31 63 63 31 4f 43 4f 63 31 63 32 00 02 69 6e 63 68 69 00 | =O)O)c(=O)c2c1cc1OCOc1c2..inchi. |
ccc0 | 66 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 33 48 31 31 4e 4f 35 2f 63 31 2d 32 2d 31 34 2d 35 | f...InChI=1S/C13H11NO5/c1-2-14-5 |
cce0 | 2d 38 28 31 33 28 31 36 29 31 37 29 31 32 28 31 35 29 37 2d 33 2d 31 30 2d 31 31 28 34 2d 39 28 | -8(13(16)17)12(15)7-3-10-11(4-9( |
cd00 | 37 29 31 34 29 31 39 2d 36 2d 31 38 2d 31 30 2f 68 33 2d 35 48 2c 32 2c 36 48 32 2c 31 48 33 2c | 7)14)19-6-18-10/h3-5H,2,6H2,1H3, |
cd20 | 28 48 2c 31 36 2c 31 37 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 2f ef 5e 46 50 01 00 00 09 63 | (H,16,17)..updated_at./.^FP....c |
cd40 | 72 65 61 74 65 64 5f 61 74 00 2d ef 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.-.^FP....default_finge |
cd60 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 10 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 | rprint_size..........._id.V..f+r |
cd80 | ed 2b 40 00 00 45 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .+@..E.warnings.......fingerprin |
cda0 | 74 73 00 09 02 00 00 04 4d 50 32 44 00 fe 01 00 00 02 30 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 | ts......MP2D......0.....19;1-1-3 |
cdc0 | 3b 32 2d 32 2d 33 3b 00 02 31 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d | ;2-2-3;..1.....3;1-2-3;1-1-19;2- |
cde0 | 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 2-3;2-1-15;..2.....3;1-2-3;2-2-3 |
ce00 | 3b 32 2d 31 2d 31 39 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | ;2-1-19;..3.....3;1-2-3;2-1-1;2- |
ce20 | 32 2d 33 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b | 2-3;..4.....3;1-1-1;1-2-3;2-3-3; |
ce40 | 00 02 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d | ..5.....3;1-2-3;2-1-1;2-2-3;2-1- |
ce60 | 31 35 3b 00 02 36 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b | 15;..6.....3;1-2-3;1-1-15;2-2-3; |
ce80 | 32 2d 31 2d 31 39 3b 00 02 37 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 | 2-1-19;..7.....15;1-1-3;2-2-3;.. |
cea0 | 38 00 0f 00 00 00 31 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 39 00 15 00 00 00 33 3b 31 2d | 8.....1;1-2-3;2-4-3;..9.....3;1- |
cec0 | 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 | 1-1;1-2-3;2-3-3;..10.....3;1-2-3 |
cee0 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-1-1;2-2-3;..11.....3;1-2-3;2- |
cf00 | 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 32 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 2-3;2-1-19;..12.....3;1-2-3;1-1- |
cf20 | 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 33 00 1d 00 00 00 33 3b 31 2d 32 2d 33 | 19;2-2-3;2-1-15;..13.....3;1-2-3 |
cf40 | 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 34 00 1c 00 00 00 33 3b | ;1-1-15;2-2-3;2-1-19;..14.....3; |
cf60 | 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 35 00 10 00 | 1-2-3;2-1-1;2-2-3;2-1-15;..15... |
cf80 | 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 10 00 00 00 31 39 3b 31 2d 31 | ..15;1-1-3;2-2-3;..16.....19;1-1 |
cfa0 | 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1e 00 00 00 4e 63 31 63 63 63 28 63 | -3;2-2-3;....smiles.....Nc1ccc(c |
cfc0 | 63 31 43 6c 29 43 63 31 63 63 63 28 63 28 63 31 29 43 6c 29 4e 00 02 69 6e 63 68 69 00 59 00 00 | c1Cl)Cc1ccc(c(c1)Cl)N..inchi.Y.. |
cfe0 | 00 49 6e 43 68 49 3d 31 53 2f 43 31 33 48 31 32 43 6c 32 4e 32 2f 63 31 34 2d 31 30 2d 36 2d 38 | .InChI=1S/C13H12Cl2N2/c14-10-6-8 |
d000 | 28 31 2d 33 2d 31 32 28 31 30 29 31 36 29 35 2d 39 2d 32 2d 34 2d 31 33 28 31 37 29 31 31 28 31 | (1-3-12(10)16)5-9-2-4-13(17)11(1 |
d020 | 35 29 37 2d 39 2f 68 31 2d 34 2c 36 2d 37 48 2c 35 2c 31 36 2d 31 37 48 32 00 09 75 70 64 61 74 | 5)7-9/h1-4,6-7H,5,16-17H2..updat |
d040 | 65 64 5f 61 74 00 35 ef 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 33 ef 5e 46 50 01 | ed_at.5.^FP....created_at.3.^FP. |
d060 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
d080 | 00 40 04 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 46 04 77 61 72 6e 69 6e 67 73 00 | .@...._id.V..f+r.+@..F.warnings. |
d0a0 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 20 03 00 00 04 4d 50 32 44 00 15 03 00 | ......fingerprints......MP2D.... |
d0c0 | 00 02 30 00 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 | ..0.....16;1-1-3;2-2-3;..1.....3 |
d0e0 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d | ;1-2-3;1-1-16;2-2-3;..2.....3;1- |
d100 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-2-3;2-1-16;..3.....3;1-2-3 |
d120 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 28 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 | ;2-1-1;2-2-3;..4.(...3;1-1-1;1-2 |
d140 | 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 36 3b 00 02 35 00 | -3;2-2-1;2-2-3;2-1-8;2-1-16;..5. |
d160 | 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 36 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | ....3;1-2-3;1-1-16;2-1-1;2-2-3;. |
d180 | 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 37 00 | .6.....3;1-2-3;2-2-3;2-2-16;..7. |
d1a0 | 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 22 00 00 00 31 3b 31 2d 32 | ....16;1-1-3;2-2-3;..8."...1;1-2 |
d1c0 | 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 39 00 | -1;1-1-3;1-1-8;2-2-3;2-2-11;..9. |
d1e0 | 29 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 | )...1;1-1-1;1-1-11;2-1-1;2-2-3;2 |
d200 | 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 2a 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d | -1-8;2-1-11;..10.*...11;1-1-1;1- |
d220 | 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 | 1-3;1-1-11;2-1-1;2-1-3;2-1-11;.. |
d240 | 31 31 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d | 11.....3;1-2-11;2-1-1;2-1-3;2-1- |
d260 | 31 31 3b 00 02 31 32 00 11 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 33 | 11;..12.....11;1-2-3;2-2-11;..13 |
d280 | 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 34 00 | .....3;1-2-11;2-1-3;2-1-11;..14. |
d2a0 | 24 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b | $...11;1-1-3;1-1-11;2-1-1;2-1-3; |
d2c0 | 32 2d 31 2d 31 31 3b 00 02 31 35 00 29 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 31 3b 32 | 2-1-11;..15.)...1;1-1-1;1-1-11;2 |
d2e0 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 31 36 00 2a 00 00 | -1-1;2-2-3;2-1-8;2-1-11;..16.*.. |
d300 | 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 | .11;1-1-1;1-1-3;1-1-11;2-1-1;2-1 |
d320 | 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 37 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d | -3;2-1-11;..17.....3;1-2-11;2-1- |
d340 | 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 38 00 11 00 00 00 31 31 3b 31 2d 32 2d 33 | 1;2-1-3;2-1-11;..18.....11;1-2-3 |
d360 | 3b 32 2d 32 2d 31 31 3b 00 02 31 39 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 33 3b | ;2-2-11;..19.....3;1-2-11;2-1-3; |
d380 | 32 2d 31 2d 31 31 3b 00 02 32 30 00 24 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b | 2-1-11;..20.$...11;1-1-3;1-1-11; |
d3a0 | 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 31 00 15 00 00 00 38 3b 31 2d | 2-1-1;2-1-3;2-1-11;..21.....8;1- |
d3c0 | 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 25 00 00 00 46 | 1-1;2-2-1;2-1-3;....smiles.%...F |
d3e0 | 63 31 63 63 63 28 63 28 63 31 29 46 29 43 28 43 6e 31 63 6e 63 6e 31 29 28 43 6e 31 63 6e 63 6e | c1ccc(c(c1)F)C(Cn1cncn1)(Cn1cncn |
d400 | 31 29 4f 00 02 69 6e 63 68 69 00 6b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 33 48 31 32 46 32 | 1)O..inchi.k...InChI=1S/C13H12F2 |
d420 | 4e 36 4f 2f 63 31 34 2d 31 30 2d 31 2d 32 2d 31 31 28 31 32 28 31 35 29 33 2d 31 30 29 31 33 28 | N6O/c14-10-1-2-11(12(15)3-10)13( |
d440 | 32 32 2c 34 2d 32 30 2d 38 2d 31 36 2d 36 2d 31 38 2d 32 30 29 35 2d 32 31 2d 39 2d 31 37 2d 37 | 22,4-20-8-16-6-18-20)5-21-9-17-7 |
d460 | 2d 31 39 2d 32 31 2f 68 31 2d 33 2c 36 2d 39 2c 32 32 48 2c 34 2d 35 48 32 00 09 75 70 64 61 74 | -19-21/h1-3,6-9,22H,4-5H2..updat |
d480 | 65 64 5f 61 74 00 3b ef 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 3a ef 5e 46 50 01 | ed_at.;.^FP....created_at.:.^FP. |
d4a0 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
d4c0 | 00 38 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 47 04 77 61 72 6e 69 6e 67 73 00 | .8...._id.V..f+r.+@..G.warnings. |
d4e0 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 2b 02 00 00 04 4d 50 32 44 00 20 02 00 | ......fingerprints.+....MP2D.... |
d500 | 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 00 23 00 00 00 31 | ..0.....1;1-1-11;2-2-3;..1.#...1 |
d520 | 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 31 | 1;1-1-1;1-2-3;2-2-3;2-1-6;2-1-11 |
d540 | 3b 00 02 32 00 23 00 00 00 33 3b 31 2d 31 2d 36 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d | ;..2.#...3;1-1-6;1-2-11;2-1-1;2- |
d560 | 32 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 33 00 10 00 00 00 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 | 2-3;2-1-13;..3.....6;1-1-3;2-2-1 |
d580 | 31 3b 00 02 34 00 24 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 31 2d 33 3b | 1;..4.$...11;1-2-3;1-1-13;2-1-3; |
d5a0 | 32 2d 31 2d 36 3b 32 2d 32 2d 31 31 3b 00 02 35 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 | 2-1-6;2-2-11;..5.....13;1-1-11;2 |
d5c0 | 2d 32 2d 33 3b 00 02 36 00 24 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 32 2d 31 31 3b 32 2d 33 2d | -2-3;..6.$...3;1-1-3;1-2-11;2-3- |
d5e0 | 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 02 37 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b | 3;2-1-11;2-1-13;..7.#...3;1-2-3; |
d600 | 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 38 00 16 00 | 1-1-11;2-1-1;2-2-3;2-2-11;..8... |
d620 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 39 00 16 00 00 00 33 | ..3;1-2-3;2-3-3;2-1-11;..9.....3 |
d640 | 3b 31 2d 33 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 16 00 00 00 33 3b 31 | ;1-3-3;2-3-3;2-1-11;..10.....3;1 |
d660 | 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 00 02 31 31 00 17 00 00 00 31 31 3b 31 2d | -1-3;1-1-11;2-3-3;..11.....11;1- |
d680 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 33 2d | 2-3;2-2-3;2-1-11;..12.....3;1-3- |
d6a0 | 33 3b 32 2d 34 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 | 3;2-4-3;..13.....3;1-2-3;2-3-3;. |
d6c0 | 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 0f 00 00 00 33 | .14.....3;1-2-3;2-2-3;..15.....3 |
d6e0 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;1-2-3;2-2-3;..16.....3;1-2-3;2- |
d700 | 32 2d 33 3b 00 02 31 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 00 00 02 73 | 2-3;..17.....3;1-2-3;2-3-3;....s |
d720 | 6d 69 6c 65 73 00 20 00 00 00 43 6e 31 63 28 3d 4e 29 5b 6e 48 5d 63 32 63 31 63 63 28 63 6e 32 | miles.....Cn1c(=N)[nH]c2c1cc(cn2 |
d740 | 29 63 31 63 63 63 63 63 31 00 02 69 6e 63 68 69 00 5d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 | )c1ccccc1..inchi.]...InChI=1S/C1 |
d760 | 33 48 31 32 4e 34 2f 63 31 2d 31 37 2d 31 31 2d 37 2d 31 30 28 39 2d 35 2d 33 2d 32 2d 34 2d 36 | 3H12N4/c1-17-11-7-10(9-5-3-2-4-6 |
d780 | 2d 39 29 38 2d 31 35 2d 31 32 28 31 31 29 31 36 2d 31 33 28 31 37 29 31 34 2f 68 32 2d 38 48 2c | -9)8-15-12(11)16-13(17)14/h2-8H, |
d7a0 | 31 48 33 2c 28 48 32 2c 31 34 2c 31 35 2c 31 36 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 41 ef | 1H3,(H2,14,15,16)..updated_at.A. |
d7c0 | 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 40 ef 5e 46 50 01 00 00 10 64 65 66 61 75 | ^FP....created_at.@.^FP....defau |
d7e0 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 5d 03 00 00 07 5f 69 | lt_fingerprint_size......]...._i |
d800 | 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 48 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..f+r.+@..H.warnings.......fi |
d820 | 6e 67 65 72 70 72 69 6e 74 73 00 50 02 00 00 04 4d 50 32 44 00 45 02 00 00 02 30 00 16 00 00 00 | ngerprints.P....MP2D.E....0..... |
d840 | 36 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 00 29 00 00 00 33 3b 31 | 6;1-1-3;2-1-3;2-1-11;..1.)...3;1 |
d860 | 2d 31 2d 33 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d | -1-3;1-1-6;1-1-11;2-1-1;2-2-3;2- |
d880 | 31 2d 31 33 3b 00 02 32 00 23 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 31 | 1-13;..2.#...11;1-2-3;1-1-13;2-1 |
d8a0 | 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 33 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 | -1;2-2-3;2-1-6;..3.....13;1-1-11 |
d8c0 | 3b 32 2d 32 2d 33 3b 00 02 34 00 23 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 | ;2-2-3;..4.#...3;1-1-1;1-1-3;1-1 |
d8e0 | 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 35 00 16 00 00 00 31 3b 31 2d 31 2d 33 | -11;2-3-3;2-1-13;..5.....1;1-1-3 |
d900 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d | ;2-1-3;2-1-11;..6.....3;1-3-3;2- |
d920 | 31 2d 31 3b 32 2d 33 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 37 00 23 00 00 00 33 3b 31 2d 32 2d 33 | 1-1;2-3-3;2-2-11;..7.#...3;1-2-3 |
d940 | 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 38 00 22 | ;1-1-11;2-1-1;2-4-3;2-1-13;..8." |
d960 | 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 32 | ...3;1-1-1;1-2-3;2-1-3;2-1-6;2-2 |
d980 | 2d 31 31 3b 00 02 39 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 17 | -11;..9.....1;1-1-3;2-2-3;..10.. |
d9a0 | 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 34 2d 33 3b 00 02 31 31 00 11 00 | ...11;1-2-3;1-1-13;2-4-3;..11... |
d9c0 | 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 32 00 1d 00 00 00 33 3b 31 2d 32 | ..13;1-1-11;2-2-3;..12.....3;1-2 |
d9e0 | 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 31 33 00 16 00 00 00 | -3;1-1-11;2-4-3;2-1-13;..13..... |
da00 | 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 34 00 0f 00 00 00 33 3b | 3;1-3-3;2-4-3;2-1-11;..14.....3; |
da20 | 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 1-2-3;2-3-3;..15.....3;1-2-3;2-2 |
da40 | 2d 33 3b 00 02 31 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 37 00 16 | -3;..16.....3;1-2-3;2-2-3;..17.. |
da60 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 00 00 02 73 6d 69 6c | ...3;1-2-3;2-2-3;2-1-11;....smil |
da80 | 65 73 00 22 00 00 00 4e 3d 63 31 5b 6e 48 5d 63 28 43 29 63 32 63 28 63 31 43 29 5b 6e 48 5d 63 | es."...N=c1[nH]c(C)c2c(c1C)[nH]c |
daa0 | 31 63 32 63 63 63 63 31 00 02 69 6e 63 68 69 00 5b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 33 | 1c2cccc1..inchi.[...InChI=1S/C13 |
dac0 | 48 31 33 4e 33 2f 63 31 2d 37 2d 31 32 2d 31 31 28 38 28 32 29 31 35 2d 31 33 28 37 29 31 34 29 | H13N3/c1-7-12-11(8(2)15-13(7)14) |
dae0 | 39 2d 35 2d 33 2d 34 2d 36 2d 31 30 28 39 29 31 36 2d 31 32 2f 68 33 2d 36 2c 31 36 48 2c 31 2d | 9-5-3-4-6-10(9)16-12/h3-6,16H,1- |
db00 | 32 48 33 2c 28 48 32 2c 31 34 2c 31 35 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 47 ef 5e 46 50 | 2H3,(H2,14,15)..updated_at.G.^FP |
db20 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 46 ef 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.F.^FP....default_ |
db40 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 84 03 00 00 07 5f 69 64 00 56 | fingerprint_size..........._id.V |
db60 | 16 1c 66 2b 72 ed 2b 40 00 00 49 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..f+r.+@..I.warnings.......finge |
db80 | 72 70 72 69 6e 74 73 00 6b 02 00 00 04 4d 50 32 44 00 60 02 00 00 02 30 00 17 00 00 00 33 32 3b | rprints.k....MP2D.`....0.....32; |
dba0 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 31 00 1c 00 00 00 32 3b 31 2d 31 | 1-1-2;2-1-1;2-1-32;..1.....2;1-1 |
dbc0 | 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 00 17 00 00 00 33 32 | -1;1-2-32;2-2-1;2-1-8;..2.....32 |
dbe0 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 33 00 22 00 00 00 31 3b 31 2d | ;1-1-2;2-1-1;2-1-32;..3."...1;1- |
dc00 | 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 32 2d 32 2d 33 32 3b 00 02 34 | 2-1;1-1-2;1-1-8;2-1-3;2-2-32;..4 |
dc20 | 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 | .!...8;1-1-1;1-1-3;2-2-1;2-1-2;2 |
dc40 | 2d 32 2d 33 3b 00 02 35 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 | -2-3;..5.....3;1-2-3;1-1-8;2-1-1 |
dc60 | 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | ;2-2-3;..6.....3;1-2-3;2-2-3;2-1 |
dc80 | 2d 38 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | -8;..7.....3;1-2-3;2-1-1;2-2-3;. |
dca0 | 02 38 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 | .8.....3;1-1-1;1-2-3;2-2-1;2-2-3 |
dcc0 | 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 | ;..9.....3;1-2-3;2-1-1;2-2-3;..1 |
dce0 | 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 31 00 22 | 0.....3;1-2-3;2-2-3;2-1-8;..11." |
dd00 | 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 | ...1;1-2-1;1-1-3;2-2-1;2-2-3;2-2 |
dd20 | 2d 31 35 3b 00 02 31 32 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 | -15;..12.....1;1-2-1;2-2-1;2-1-3 |
dd40 | 3b 32 2d 32 2d 31 35 3b 00 02 31 33 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 32 2d 31 35 3b | ;2-2-15;..13.....1;1-2-1;1-2-15; |
dd60 | 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 34 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d | 2-2-1;2-1-3;..14.....15;1-1-1;2- |
dd80 | 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 31 35 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 | 2-1;2-1-15;..15.....15;1-1-1;2-2 |
dda0 | 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 31 36 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 | -1;2-1-15;..16.....1;1-1-1;2-1-1 |
ddc0 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 37 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d | ;2-1-2;2-1-8;..17.....1;1-1-1;2- |
dde0 | 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 24 00 00 00 4f | 1-1;2-1-2;2-1-8;....smiles.$...O |
de00 | 43 28 3d 4f 29 43 28 4f 63 31 63 63 63 28 63 63 31 29 43 31 43 43 31 28 43 6c 29 43 6c 29 28 43 | C(=O)C(Oc1ccc(cc1)C1CC1(Cl)Cl)(C |
de20 | 29 43 00 02 69 6e 63 68 69 00 65 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 33 48 31 34 43 6c 32 | )C..inchi.e...InChI=1S/C13H14Cl2 |
de40 | 4f 33 2f 63 31 2d 31 32 28 32 2c 31 31 28 31 36 29 31 37 29 31 38 2d 39 2d 35 2d 33 2d 38 28 34 | O3/c1-12(2,11(16)17)18-9-5-3-8(4 |
de60 | 2d 36 2d 39 29 31 30 2d 37 2d 31 33 28 31 30 2c 31 34 29 31 35 2f 68 33 2d 36 2c 31 30 48 2c 37 | -6-9)10-7-13(10,14)15/h3-6,10H,7 |
de80 | 48 32 2c 31 2d 32 48 33 2c 28 48 2c 31 36 2c 31 37 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 56 | H2,1-2H3,(H,16,17)..updated_at.V |
dea0 | ef 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 54 ef 5e 46 50 01 00 00 10 64 65 66 61 | .^FP....created_at.T.^FP....defa |
dec0 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 a4 02 00 00 07 5f | ult_fingerprint_size..........._ |
dee0 | 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 4a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..f+r.+@..J.warnings.......f |
df00 | 69 6e 67 65 72 70 72 69 6e 74 73 00 af 01 00 00 04 4d 50 32 44 00 a4 01 00 00 02 30 00 10 00 00 | ingerprints......MP2D......0.... |
df20 | 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | .19;1-1-3;2-2-3;..1.....3;1-2-3; |
df40 | 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 1-1-19;2-2-3;..2.....3;1-2-3;2-2 |
df60 | 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b | -3;2-1-19;..3.....3;1-2-3;2-1-1; |
df80 | 32 2d 32 2d 33 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d | 2-2-3;..4.....3;1-1-1;1-2-3;2-3- |
dfa0 | 33 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 | 3;..5.....3;1-2-3;2-1-1;2-2-3;.. |
dfc0 | 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 0f | 6.....3;1-2-3;2-2-3;2-1-19;..7.. |
dfe0 | 00 00 00 31 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 31 2d 31 | ...1;1-2-3;2-4-3;..8.....3;1-1-1 |
e000 | 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | ;1-2-3;2-3-3;..9.....3;1-2-3;2-1 |
e020 | 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | -1;2-2-3;..10.....3;1-2-3;2-2-3; |
e040 | 32 2d 31 2d 31 39 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 | 2-1-19;..11.....3;1-2-3;1-1-19;2 |
e060 | 2d 32 2d 33 3b 00 02 31 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | -2-3;..12.....3;1-2-3;2-2-3;2-1- |
e080 | 31 39 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | 19;..13.....3;1-2-3;2-1-1;2-2-3; |
e0a0 | 00 02 31 34 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c | ..14.....19;1-1-3;2-2-3;....smil |
e0c0 | 65 73 00 18 00 00 00 4e 63 31 63 63 63 28 63 63 31 29 43 63 31 63 63 63 28 63 63 31 29 4e 00 02 | es.....Nc1ccc(cc1)Cc1ccc(cc1)N.. |
e0e0 | 69 6e 63 68 69 00 4d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 33 48 31 34 4e 32 2f 63 31 34 2d | inchi.M...InChI=1S/C13H14N2/c14- |
e100 | 31 32 2d 35 2d 31 2d 31 30 28 32 2d 36 2d 31 32 29 39 2d 31 31 2d 33 2d 37 2d 31 33 28 31 35 29 | 12-5-1-10(2-6-12)9-11-3-7-13(15) |
e120 | 38 2d 34 2d 31 31 2f 68 31 2d 38 48 2c 39 2c 31 34 2d 31 35 48 32 00 09 75 70 64 61 74 65 64 5f | 8-4-11/h1-8H,9,14-15H2..updated_ |
e140 | 61 74 00 5c ef 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 5b ef 5e 46 50 01 00 00 10 | at.\.^FP....created_at.[.^FP.... |
e160 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 54 03 | default_fingerprint_size......T. |
e180 | 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 4b 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V..f+r.+@..K.warnings.... |
e1a0 | 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 46 02 00 00 04 4d 50 32 44 00 3b 02 00 00 02 30 | ...fingerprints.F....MP2D.;....0 |
e1c0 | 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 31 00 1b 00 00 | .....1;1-1-1;2-1-1;2-1-9;..1.... |
e1e0 | 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 32 00 1b | .1;1-2-1;1-1-9;2-1-1;2-2-2;..2.. |
e200 | 00 00 00 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 | ...9;1-1-1;1-1-2;2-2-1;2-1-2;..3 |
e220 | 00 1b 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 | .....2;1-1-2;1-1-9;2-1-1;2-2-2;. |
e240 | 02 34 00 1b 00 00 00 32 3b 31 2d 33 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 32 2d 39 | .4.....2;1-3-2;2-1-1;2-2-2;2-2-9 |
e260 | 3b 00 02 35 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 33 2d 31 3b 32 2d 33 | ;..5.....2;1-1-1;1-2-2;2-3-1;2-3 |
e280 | 2d 32 3b 00 02 36 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 | -2;..6.!...2;1-1-1;1-2-2;2-1-1;2 |
e2a0 | 2d 32 2d 32 3b 32 2d 31 2d 39 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 | -2-2;2-1-9;..7.....1;1-1-2;2-2-2 |
e2c0 | 3b 00 02 38 00 1b 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 33 | ;..8.....2;1-2-2;1-1-9;2-1-1;2-3 |
e2e0 | 2d 32 3b 00 02 39 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 02 31 30 00 1c 00 | -2;..9.....9;1-1-2;2-2-2;..10... |
e300 | 00 00 32 3b 31 2d 33 2d 32 3b 32 2d 32 2d 32 3b 32 2d 32 2d 39 3b 32 2d 32 2d 33 32 3b 00 02 31 | ..2;1-3-2;2-2-2;2-2-9;2-2-32;..1 |
e320 | 31 00 16 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 32 3b 32 2d 32 2d 32 3b 00 02 31 32 00 | 1.....2;1-1-2;1-2-32;2-2-2;..12. |
e340 | 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 32 3b 00 02 31 33 00 17 | ....32;1-1-2;2-1-2;2-1-32;..13.. |
e360 | 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 32 3b 00 02 31 34 00 15 00 | ...32;1-1-2;2-1-2;2-1-32;..14... |
e380 | 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 39 3b 32 2d 34 2d 32 3b 00 02 31 35 00 0f 00 00 00 39 | ..2;1-2-2;1-1-9;2-4-2;..15.....9 |
e3a0 | 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 02 31 36 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d | ;1-1-2;2-2-2;..16.!...1;1-2-1;1- |
e3c0 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 37 00 15 00 00 00 31 | 1-2;2-1-1;2-2-2;2-1-9;..17.....1 |
e3e0 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 26 00 | ;1-1-1;2-1-1;2-1-2;....smiles.&. |
e400 | 00 00 43 43 31 4f 43 3d 43 32 43 28 3d 43 28 43 29 43 28 3d 4f 29 43 28 3d 43 28 4f 29 4f 29 43 | ..CC1OC=C2C(=C(C)C(=O)C(=C(O)O)C |
e420 | 32 3d 4f 29 43 31 43 00 02 69 6e 63 68 69 00 58 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 33 48 | 2=O)C1C..inchi.X...InChI=1S/C13H |
e440 | 31 34 4f 35 2f 63 31 2d 35 2d 37 28 33 29 31 38 2d 34 2d 38 2d 39 28 35 29 36 28 32 29 31 31 28 | 14O5/c1-5-7(3)18-4-8-9(5)6(2)11( |
e460 | 31 34 29 31 30 28 31 32 28 38 29 31 35 29 31 33 28 31 36 29 31 37 2f 68 34 2d 35 2c 37 2c 31 36 | 14)10(12(8)15)13(16)17/h4-5,7,16 |
e480 | 2d 31 37 48 2c 31 2d 33 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 63 ef 5e 46 50 01 00 00 09 | -17H,1-3H3..updated_at.c.^FP.... |
e4a0 | 63 72 65 61 74 65 64 5f 61 74 00 61 ef 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at.a.^FP....default_fing |
e4c0 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 7e 04 00 00 07 5f 69 64 00 56 16 1c 66 2b | erprint_size......~...._id.V..f+ |
e4e0 | 72 ed 2b 40 00 00 4c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.+@..L.warnings.......fingerpri |
e500 | 6e 74 73 00 57 03 00 00 04 4d 50 32 44 00 4c 03 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 32 | nts.W....MP2D.L....0.....9;1-1-2 |
e520 | 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 31 00 22 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d | ;2-1-8;2-1-28;..1."...2;1-1-8;1- |
e540 | 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 32 00 22 00 00 00 38 | 1-9;1-1-28;2-2-1;2-1-6;..2."...8 |
e560 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b | ;1-1-1;1-1-2;2-2-1;2-1-9;2-1-28; |
e580 | 00 02 33 00 22 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d | ..3."...1;1-2-1;1-1-8;2-1-2;2-1- |
e5a0 | 35 3b 32 2d 31 2d 32 38 3b 00 02 34 00 28 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b | 5;2-1-28;..4.(...1;1-1-1;1-1-28; |
e5c0 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 35 00 2e 00 00 00 | 2-1-1;2-1-2;2-1-6;2-1-8;..5..... |
e5e0 | 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 | 28;1-1-1;1-1-2;1-1-6;2-1-1;2-1-2 |
e600 | 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 36 00 22 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 | ;2-1-8;2-1-9;..6."...6;1-1-2;1-1 |
e620 | 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 37 00 22 00 00 00 32 3b | -28;2-1-1;2-1-2;2-1-3;..7."...2; |
e640 | 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 | 1-1-3;1-1-6;2-1-3;2-1-9;2-1-28;. |
e660 | 02 38 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 | .8.!...3;1-1-2;1-1-3;1-1-9;2-2-3 |
e680 | 3b 32 2d 31 2d 36 3b 00 02 39 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 31 | ;2-1-6;..9.....3;1-2-3;2-1-2;2-1 |
e6a0 | 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b | -3;2-1-9;..10.....3;1-2-3;2-1-3; |
e6c0 | 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 22 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d | 2-1-9;2-1-19;..11."...3;1-1-3;1- |
e6e0 | 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 32 00 1c 00 00 00 | 1-9;1-1-19;2-2-3;2-2-9;..12..... |
e700 | 39 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 | 9;1-2-3;2-1-2;2-2-3;2-1-19;..13. |
e720 | 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 | ....19;1-1-3;1-2-9;2-1-3;2-1-9;. |
e740 | 02 31 34 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 | .14.....9;1-1-19;2-1-3;2-1-9;..1 |
e760 | 35 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 36 00 | 5.....9;1-1-19;2-1-3;2-1-9;..16. |
e780 | 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 | ....1;1-1-1;1-1-5;2-3-1;2-1-8;.. |
e7a0 | 31 37 00 0f 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 38 00 1b 00 00 00 31 3b | 17.....5;1-3-1;2-3-1;..18.....1; |
e7c0 | 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 39 00 1b 00 00 | 1-1-1;1-1-5;2-2-1;2-1-8;..19.... |
e7e0 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 32 30 00 | .1;1-1-1;1-1-8;2-1-1;2-1-5;..20. |
e800 | 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 31 00 1b 00 00 00 31 3b 31 2d 31 | ....8;1-2-1;2-2-1;..21.....1;1-1 |
e820 | 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 32 32 00 1b 00 00 00 31 3b | -1;1-1-8;2-1-1;2-1-5;..22.....1; |
e840 | 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c | 1-1-1;1-1-5;2-2-1;2-1-8;....smil |
e860 | 65 73 00 28 00 00 00 4f 3d 43 31 4f 43 28 43 4e 31 4e 3d 43 63 31 63 63 63 28 6f 31 29 4e 28 3d | es.(...O=C1OC(CN1N=Cc1ccc(o1)N(= |
e880 | 4f 29 3d 4f 29 43 4e 31 43 43 4f 43 43 31 00 02 69 6e 63 68 69 00 6f 00 00 00 49 6e 43 68 49 3d | O)=O)CN1CCOCC1..inchi.o...InChI= |
e8a0 | 31 53 2f 43 31 33 48 31 36 4e 34 4f 36 2f 63 31 38 2d 31 33 2d 31 36 28 31 34 2d 37 2d 31 30 2d | 1S/C13H16N4O6/c18-13-16(14-7-10- |
e8c0 | 31 2d 32 2d 31 32 28 32 32 2d 31 30 29 31 37 28 31 39 29 32 30 29 39 2d 31 31 28 32 33 2d 31 33 | 1-2-12(22-10)17(19)20)9-11(23-13 |
e8e0 | 29 38 2d 31 35 2d 33 2d 35 2d 32 31 2d 36 2d 34 2d 31 35 2f 68 31 2d 32 2c 37 2c 31 31 48 2c 33 | )8-15-3-5-21-6-4-15/h1-2,7,11H,3 |
e900 | 2d 36 2c 38 2d 39 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 69 ef 5e 46 50 01 00 00 09 63 72 | -6,8-9H2..updated_at.i.^FP....cr |
e920 | 65 61 74 65 64 5f 61 74 00 68 ef 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at.h.^FP....default_finger |
e940 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 72 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed | print_size......r...._id.V..f+r. |
e960 | 2b 40 00 00 4d 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | +@..M.warnings.......fingerprint |
e980 | 73 00 63 02 00 00 04 4d 50 32 44 00 58 02 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 | s.c....MP2D.X....0.....1;1-1-1;2 |
e9a0 | 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 00 23 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d | -1-1;2-1-28;..1.#...1;1-2-1;1-1- |
e9c0 | 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 32 00 23 00 00 00 31 3b | 28;2-1-1;2-1-2;2-1-19;..2.#...1; |
e9e0 | 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 32 38 3b | 1-1-1;1-1-19;2-2-1;2-1-6;2-1-28; |
ea00 | 00 02 33 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d 31 | ..3.....19;1-2-1;1-1-6;2-2-1;2-1 |
ea20 | 2d 39 3b 00 02 34 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b | -9;..4.....6;1-1-9;1-1-19;2-2-1; |
ea40 | 00 02 35 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 36 00 23 00 00 00 31 | ..5.....9;1-1-6;2-1-19;..6.#...1 |
ea60 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 32 38 | ;1-1-1;1-1-19;2-2-1;2-1-6;2-1-28 |
ea80 | 3b 00 02 37 00 23 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d | ;..7.#...1;1-2-1;1-1-28;2-1-1;2- |
eaa0 | 31 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 38 00 22 00 00 00 32 38 3b 31 2d 32 2d 31 3b 31 2d 31 2d | 1-2;2-1-19;..8."...28;1-2-1;1-1- |
eac0 | 32 3b 32 2d 34 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 39 00 22 00 00 00 32 3b 31 2d | 2;2-4-1;2-1-3;2-1-9;..9."...2;1- |
eae0 | 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 | 1-3;1-1-9;1-1-28;2-2-1;2-2-3;..1 |
eb00 | 30 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 31 00 | 0.....9;1-1-2;2-1-3;2-1-28;..11. |
eb20 | 22 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d | "...3;1-1-2;1-2-3;2-2-3;2-1-9;2- |
eb40 | 31 2d 32 38 3b 00 02 31 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d | 1-28;..12.....3;1-2-3;2-1-2;2-2- |
eb60 | 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f 00 | 3;..13.....3;1-2-3;2-2-3;..14... |
eb80 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | ..3;1-2-3;2-2-3;..15.....3;1-2-3 |
eba0 | 3b 32 2d 32 2d 33 3b 00 02 31 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d | ;2-2-3;..16.....3;1-2-3;2-1-2;2- |
ebc0 | 32 2d 33 3b 00 02 31 37 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 | 2-3;..17.....1;1-1-1;2-1-1;2-1-2 |
ebe0 | 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 1f 00 00 00 43 43 31 43 4e 28 4e 3d 4f 29 43 43 28 4e 31 | 8;....smiles.....CC1CN(N=O)CC(N1 |
ec00 | 43 28 3d 4f 29 63 31 63 63 63 63 63 31 29 43 00 02 69 6e 63 68 69 00 60 00 00 00 49 6e 43 68 49 | C(=O)c1ccccc1)C..inchi.`...InChI |
ec20 | 3d 31 53 2f 43 31 33 48 31 37 4e 33 4f 32 2f 63 31 2d 31 30 2d 38 2d 31 35 28 31 34 2d 31 38 29 | =1S/C13H17N3O2/c1-10-8-15(14-18) |
ec40 | 39 2d 31 31 28 32 29 31 36 28 31 30 29 31 33 28 31 37 29 31 32 2d 36 2d 34 2d 33 2d 35 2d 37 2d | 9-11(2)16(10)13(17)12-6-4-3-5-7- |
ec60 | 31 32 2f 68 33 2d 37 2c 31 30 2d 31 31 48 2c 38 2d 39 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 | 12/h3-7,10-11H,8-9H2,1-2H3..upda |
ec80 | 74 65 64 5f 61 74 00 6f ef 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 6e ef 5e 46 50 | ted_at.o.^FP....created_at.n.^FP |
eca0 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
ecc0 | 00 00 95 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 4e 04 77 61 72 6e 69 6e 67 73 | ......._id.V..f+r.+@..N.warnings |
ece0 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 7d 02 00 00 04 4d 50 32 44 00 72 02 | .......fingerprints.}....MP2D.r. |
ed00 | 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 17 00 00 00 | ...0.....15;1-1-1;2-1-1;..1..... |
ed20 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 39 3b 00 02 32 00 23 00 00 00 31 3b | 1;1-1-1;1-1-15;2-1-19;..2.#...1; |
ed40 | 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 35 3b | 1-1-1;1-1-19;2-1-1;2-1-3;2-1-15; |
ed60 | 00 02 33 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 | ..3.....19;1-2-1;1-1-3;2-2-1;2-2 |
ed80 | 2d 33 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b | -3;..4.....3;1-2-3;1-1-19;2-2-1; |
eda0 | 32 2d 32 2d 33 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 2-2-3;..5.....3;1-2-3;2-2-3;2-1- |
edc0 | 31 39 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | 19;..6.....3;1-2-3;2-1-1;2-2-3;. |
ede0 | 02 37 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | .7.....3;1-1-1;1-2-3;2-1-1;2-2-3 |
ee00 | 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 | ;..8.....3;1-2-3;2-1-1;2-2-3;..9 |
ee20 | 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 21 | .....3;1-2-3;2-2-3;2-1-19;..10.! |
ee40 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 | ...1;1-1-1;1-1-3;2-1-2;2-2-3;2-1 |
ee60 | 2d 35 3b 00 02 31 31 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 35 3b | -5;..11."...1;1-1-1;1-1-2;1-1-5; |
ee80 | 32 2d 31 2d 33 3b 32 2d 32 2d 33 32 3b 00 02 31 32 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d | 2-1-3;2-2-32;..12.....2;1-1-1;1- |
eea0 | 32 2d 33 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 33 00 17 00 00 00 33 32 3b 31 2d 31 | 2-32;2-1-1;2-1-5;..13.....32;1-1 |
eec0 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 31 34 00 17 00 00 00 33 32 3b 31 2d 31 2d | -2;2-1-1;2-1-32;..14.....32;1-1- |
eee0 | 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 31 35 00 15 00 00 00 35 3b 31 2d 31 2d 31 3b | 2;2-1-1;2-1-32;..15.....5;1-1-1; |
ef00 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 36 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-1-1;2-1-2;..16.#...1;1-1-1;1-1 |
ef20 | 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 37 00 17 00 00 00 | -19;2-1-1;2-1-3;2-1-15;..17..... |
ef40 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 39 3b 00 02 31 38 00 10 00 00 00 31 | 1;1-1-1;1-1-15;2-1-19;..18.....1 |
ef60 | 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 21 00 00 00 43 6c 43 | 5;1-1-1;2-1-1;....smiles.!...ClC |
ef80 | 43 4e 28 63 31 63 63 63 28 63 63 31 29 43 43 28 43 28 3d 4f 29 4f 29 4e 29 43 43 43 6c 00 02 69 | CN(c1ccc(cc1)CC(C(=O)O)N)CCCl..i |
efa0 | 6e 63 68 69 00 67 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 33 48 31 38 43 6c 32 4e 32 4f 32 2f | nchi.g...InChI=1S/C13H18Cl2N2O2/ |
efc0 | 63 31 34 2d 35 2d 37 2d 31 37 28 38 2d 36 2d 31 35 29 31 31 2d 33 2d 31 2d 31 30 28 32 2d 34 2d | c14-5-7-17(8-6-15)11-3-1-10(2-4- |
efe0 | 31 31 29 39 2d 31 32 28 31 36 29 31 33 28 31 38 29 31 39 2f 68 31 2d 34 2c 31 32 48 2c 35 2d 39 | 11)9-12(16)13(18)19/h1-4,12H,5-9 |
f000 | 2c 31 36 48 32 2c 28 48 2c 31 38 2c 31 39 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 75 ef 5e 46 | ,16H2,(H,18,19)..updated_at.u.^F |
f020 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 74 ef 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at.t.^FP....default |
f040 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 18 03 00 00 07 5f 69 64 00 | _fingerprint_size..........._id. |
f060 | 56 16 1c 66 2b 72 ed 2b 40 00 00 4f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..f+r.+@..O.warnings.......fing |
f080 | 65 72 70 72 69 6e 74 73 00 11 02 00 00 04 4d 50 32 44 00 06 02 00 00 02 30 00 0f 00 00 00 38 3b | erprints......MP2D......0.....8; |
f0a0 | 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d | 1-1-1;2-1-3;..1.....1;1-1-3;1-1- |
f0c0 | 38 3b 32 2d 32 2d 33 3b 00 02 32 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d | 8;2-2-3;..2.....3;1-1-1;1-2-3;2- |
f0e0 | 32 2d 33 3b 32 2d 32 2d 38 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b | 2-3;2-2-8;..3.....3;1-2-3;2-2-1; |
f100 | 32 2d 32 2d 33 3b 00 02 34 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 2-2-3;..4.!...3;1-1-1;1-2-3;2-1- |
f120 | 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 1;2-2-3;2-1-8;..5.....3;1-2-3;2- |
f140 | 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | 1-1;2-2-3;..6.....3;1-2-3;2-2-3; |
f160 | 32 2d 31 2d 38 3b 00 02 37 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d | 2-1-8;..7.....3;1-2-3;1-1-8;2-1- |
f180 | 31 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 | 1;2-2-3;..8.....8;1-1-3;2-2-3;.. |
f1a0 | 39 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b | 9.!...1;1-1-1;1-1-3;1-1-8;2-2-3; |
f1c0 | 32 2d 31 2d 35 3b 00 02 31 30 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 | 2-1-5;..10.!...1;1-1-1;1-1-5;2-1 |
f1e0 | 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 31 00 0f 00 00 00 35 3b 31 2d 32 2d 31 3b | -1;2-1-3;2-1-8;..11.....5;1-2-1; |
f200 | 32 2d 34 2d 31 3b 00 02 31 32 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 | 2-4-1;..12.....1;1-3-1;1-1-5;2-1 |
f220 | 2d 31 3b 00 02 31 33 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b | -1;..13.....1;1-1-1;2-2-1;2-1-5; |
f240 | 00 02 31 34 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 | ..14.....1;1-1-1;2-2-1;2-1-5;..1 |
f260 | 35 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 36 00 15 | 5.....1;1-1-1;2-2-1;2-1-5;..16.. |
f280 | 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 6c 65 | ...8;1-1-1;2-1-1;2-1-3;....smile |
f2a0 | 73 00 1c 00 00 00 4f 43 63 31 63 63 28 63 63 63 31 4f 29 43 28 43 4e 43 28 43 29 28 43 29 43 29 | s.....OCc1cc(ccc1O)C(CNC(C)(C)C) |
f2c0 | 4f 00 02 69 6e 63 68 69 00 5b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 33 48 32 31 4e 4f 33 2f | O..inchi.[...InChI=1S/C13H21NO3/ |
f2e0 | 63 31 2d 31 33 28 32 2c 33 29 31 34 2d 37 2d 31 32 28 31 37 29 39 2d 34 2d 35 2d 31 31 28 31 36 | c1-13(2,3)14-7-12(17)9-4-5-11(16 |
f300 | 29 31 30 28 36 2d 39 29 38 2d 31 35 2f 68 34 2d 36 2c 31 32 2c 31 34 2d 31 37 48 2c 37 2d 38 48 | )10(6-9)8-15/h4-6,12,14-17H,7-8H |
f320 | 32 2c 31 2d 33 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 7b ef 5e 46 50 01 00 00 09 63 72 65 | 2,1-3H3..updated_at.{.^FP....cre |
f340 | 61 74 65 64 5f 61 74 00 79 ef 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at.y.^FP....default_fingerp |
f360 | 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 93 02 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b | rint_size..........._id.V..f+r.+ |
f380 | 40 00 00 50 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 | @..P.warnings.......fingerprints |
f3a0 | 00 a6 01 00 00 04 4d 50 32 44 00 9b 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d | ......MP2D......0.....1;1-1-1;2- |
f3c0 | 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 00 0f 00 | 1-1;..1.....1;1-2-1;2-1-1;..2... |
f3e0 | 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b | ..1;1-2-1;2-2-1;..3.....1;1-2-1; |
f400 | 32 2d 32 2d 31 3b 00 02 34 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 35 00 | 2-2-1;..4.....1;1-2-1;2-2-1;..5. |
f420 | 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 36 00 0f 00 00 00 31 3b 31 2d 32 2d | ....1;1-2-1;2-2-1;..6.....1;1-2- |
f440 | 31 3b 32 2d 32 2d 31 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 | 1;2-2-1;..7.....1;1-2-1;2-2-1;.. |
f460 | 38 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 39 00 0f 00 00 00 31 3b 31 2d | 8.....1;1-2-1;2-2-1;..9.....1;1- |
f480 | 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 30 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 | 2-1;2-2-1;..10.....1;1-2-1;2-1-1 |
f4a0 | 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b | ;2-1-19;..11.....1;1-1-1;1-1-19; |
f4c0 | 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 32 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d | 2-2-1;2-1-6;..12.....19;1-2-1;1- |
f4e0 | 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 31 33 00 16 00 00 00 36 3b 31 2d 31 2d 39 | 1-6;2-1-1;2-1-9;..13.....6;1-1-9 |
f500 | 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 31 34 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 | ;1-1-19;2-2-1;..14.....9;1-1-6;2 |
f520 | 2d 31 2d 31 39 3b 00 02 31 35 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d | -1-19;..15.....1;1-1-19;2-1-1;2- |
f540 | 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 14 00 00 00 43 43 43 43 43 43 43 43 43 43 43 43 4e | 1-6;....smiles.....CCCCCCCCCCCCN |
f560 | 28 4e 3d 4f 29 43 00 02 69 6e 63 68 69 00 49 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 33 48 32 | (N=O)C..inchi.I...InChI=1S/C13H2 |
f580 | 38 4e 32 4f 2f 63 31 2d 33 2d 34 2d 35 2d 36 2d 37 2d 38 2d 39 2d 31 30 2d 31 31 2d 31 32 2d 31 | 8N2O/c1-3-4-5-6-7-8-9-10-11-12-1 |
f5a0 | 33 2d 31 35 28 32 29 31 34 2d 31 36 2f 68 33 2d 31 33 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 | 3-15(2)14-16/h3-13H2,1-2H3..upda |
f5c0 | 74 65 64 5f 61 74 00 80 ef 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 7f ef 5e 46 50 | ted_at...^FP....created_at...^FP |
f5e0 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
f600 | 00 00 c5 02 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 51 04 77 61 72 6e 69 6e 67 73 | ......._id.V..f+r.+@..Q.warnings |
f620 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ca 01 00 00 04 4d 50 32 44 00 bf 01 | .......fingerprints......MP2D... |
f640 | 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 | ...0.....9;1-1-19;2-1-3;2-1-9;.. |
f660 | 31 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 32 00 16 | 1.....19;1-1-3;1-2-9;2-2-3;..2.. |
f680 | 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 1c 00 00 00 | ...9;1-1-19;2-1-3;2-1-9;..3..... |
f6a0 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 34 00 16 | 3;1-2-3;1-1-19;2-2-3;2-2-9;..4.. |
f6c0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 35 00 0f 00 00 00 | ...3;1-2-3;2-2-3;2-1-19;..5..... |
f6e0 | 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d | 3;1-2-3;2-3-3;..6.....3;1-3-3;2- |
f700 | 31 2d 31 3b 32 2d 34 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b | 1-1;2-4-3;..7.....3;1-1-1;1-2-3; |
f720 | 32 2d 34 2d 33 3b 00 02 38 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | 2-4-3;..8.....3;1-2-3;2-1-1;2-2- |
f740 | 33 3b 32 2d 31 2d 31 39 3b 00 02 39 00 0f 00 00 00 31 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 | 3;2-1-19;..9.....1;1-2-3;2-4-3;. |
f760 | 02 31 30 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 31 | .10.....3;1-1-1;1-2-3;2-4-3;..11 |
f780 | 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 31 2d 31 3b 32 2d 34 2d 33 3b 00 02 31 32 00 0f 00 | .....3;1-3-3;2-1-1;2-4-3;..12... |
f7a0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | ..3;1-2-3;2-3-3;..13.....3;1-2-3 |
f7c0 | 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 | ;2-2-3;..14.....3;1-2-3;2-2-3;.. |
f7e0 | 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 00 00 02 73 | 15.....3;1-2-3;2-1-1;2-2-3;....s |
f800 | 6d 69 6c 65 73 00 1d 00 00 00 4f 3d 4e 28 3d 4f 29 63 31 63 63 63 32 63 28 63 31 29 43 63 31 63 | miles.....O=N(=O)c1ccc2c(c1)Cc1c |
f820 | 32 63 63 63 63 31 00 02 69 6e 63 68 69 00 4e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 33 48 39 | 2cccc1..inchi.N...InChI=1S/C13H9 |
f840 | 4e 4f 32 2f 63 31 35 2d 31 34 28 31 36 29 31 31 2d 35 2d 36 2d 31 33 2d 31 30 28 38 2d 31 31 29 | NO2/c15-14(16)11-5-6-13-10(8-11) |
f860 | 37 2d 39 2d 33 2d 31 2d 32 2d 34 2d 31 32 28 39 29 31 33 2f 68 31 2d 36 2c 38 48 2c 37 48 32 00 | 7-9-3-1-2-4-12(9)13/h1-6,8H,7H2. |
f880 | 09 75 70 64 61 74 65 64 5f 61 74 00 86 ef 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at...^FP....created_at. |
f8a0 | 85 ef 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | ..^FP....default_fingerprint_siz |
f8c0 | 65 00 00 00 00 00 00 ea 02 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 52 04 77 61 72 | e..........._id.V..f+r.+@..R.war |
f8e0 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 e5 01 00 00 04 4d 50 | nings.......fingerprints......MP |
f900 | 32 44 00 da 01 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d | 2D......0.....1;1-1-2;2-1-6;2-1- |
f920 | 39 3b 00 02 31 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d | 9;..1.....2;1-1-1;1-1-6;1-1-9;2- |
f940 | 31 2d 33 3b 00 02 32 00 21 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b | 1-3;..2.!...6;1-1-2;1-1-3;2-1-1; |
f960 | 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 2-2-3;2-1-9;..3.....3;1-2-3;1-1- |
f980 | 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 6;2-1-2;2-2-3;..4.....3;1-2-3;2- |
f9a0 | 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b | 2-3;2-1-6;..5.....3;1-2-3;2-3-3; |
f9c0 | 00 02 36 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 37 00 0f 00 00 00 33 3b | ..6.....3;1-3-3;2-4-3;..7.....3; |
f9e0 | 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 1-2-3;2-3-3;..8.....3;1-2-3;2-2- |
fa00 | 33 3b 32 2d 31 2d 36 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 | 3;2-1-6;..9.....3;1-3-3;2-4-3;.. |
fa20 | 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 31 00 16 00 00 00 33 3b | 10.....3;1-2-3;2-3-3;..11.....3; |
fa40 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 31 32 00 16 00 00 00 33 3b 31 2d | 1-2-3;2-2-3;2-1-16;..12.....3;1- |
fa60 | 32 2d 33 3b 31 2d 31 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 31 33 00 16 00 00 00 33 3b 31 2d 32 2d | 2-3;1-1-16;2-2-3;..13.....3;1-2- |
fa80 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b | 3;2-2-3;2-1-16;..14.....3;1-2-3; |
faa0 | 32 2d 33 2d 33 3b 00 02 31 35 00 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 | 2-3-3;..15.....16;1-1-3;2-2-3;.. |
fac0 | 31 36 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 00 00 02 73 | 16.....9;1-1-2;2-1-1;2-1-6;....s |
fae0 | 6d 69 6c 65 73 00 1d 00 00 00 43 43 28 3d 4e 63 31 63 63 63 28 63 63 31 29 63 31 63 63 63 28 63 | miles.....CC(=Nc1ccc(cc1)c1ccc(c |
fb00 | 63 31 29 46 29 4f 00 02 69 6e 63 68 69 00 58 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 | c1)F)O..inchi.X...InChI=1S/C14H1 |
fb20 | 32 46 4e 4f 2f 63 31 2d 31 30 28 31 37 29 31 36 2d 31 34 2d 38 2d 34 2d 31 32 28 35 2d 39 2d 31 | 2FNO/c1-10(17)16-14-8-4-12(5-9-1 |
fb40 | 34 29 31 31 2d 32 2d 36 2d 31 33 28 31 35 29 37 2d 33 2d 31 31 2f 68 32 2d 39 48 2c 31 48 33 2c | 4)11-2-6-13(15)7-3-11/h2-9H,1H3, |
fb60 | 28 48 2c 31 36 2c 31 37 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 8c ef 5e 46 50 01 00 00 09 63 | (H,16,17)..updated_at...^FP....c |
fb80 | 72 65 61 74 65 64 5f 61 74 00 8a ef 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at...^FP....default_finge |
fba0 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 a9 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 | rprint_size..........._id.V..f+r |
fbc0 | ed 2b 40 00 00 53 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .+@..S.warnings.......fingerprin |
fbe0 | 74 73 00 96 02 00 00 04 4d 50 32 44 00 8b 02 00 00 02 30 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b | ts......MP2D......0.....9;1-1-2; |
fc00 | 32 2d 32 2d 33 3b 00 02 31 00 15 00 00 00 32 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 34 2d | 2-2-3;..1.....2;1-2-3;1-1-9;2-4- |
fc20 | 33 3b 00 02 32 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d | 3;..2.(...3;1-1-2;1-2-3;2-1-2;2- |
fc40 | 33 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 | 3-3;2-1-9;2-1-19;..3.....3;1-2-3 |
fc60 | 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 00 10 00 00 00 31 39 3b 31 | ;1-1-19;2-1-2;2-2-3;..4.....19;1 |
fc80 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -1-3;2-2-3;..5.....3;1-2-3;2-2-3 |
fca0 | 3b 32 2d 31 2d 31 39 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | ;2-1-19;..6.....3;1-2-3;2-2-3;2- |
fcc0 | 31 2d 31 39 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d | 1-19;..7.....3;1-2-3;1-1-19;2-1- |
fce0 | 32 3b 32 2d 32 2d 33 3b 00 02 38 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d | 2;2-2-3;..8.(...3;1-1-2;1-2-3;2- |
fd00 | 31 2d 32 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 39 00 15 00 00 00 32 | 1-2;2-3-3;2-1-9;2-1-19;..9.....2 |
fd20 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 34 2d 33 3b 00 02 31 30 00 0f 00 00 00 39 3b 31 2d | ;1-2-3;1-1-9;2-4-3;..10.....9;1- |
fd40 | 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 31 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 | 1-2;2-2-3;..11.(...3;1-1-2;1-2-3 |
fd60 | 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 32 00 28 | ;2-1-2;2-3-3;2-1-9;2-1-19;..12.( |
fd80 | 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 32 2d 31 | ...3;1-1-2;1-2-3;2-1-2;2-3-3;2-1 |
fda0 | 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | -9;2-1-19;..13.....3;1-2-3;1-1-1 |
fdc0 | 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 34 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b | 9;2-1-2;2-2-3;..14.....19;1-1-3; |
fde0 | 32 2d 32 2d 33 3b 00 02 31 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | 2-2-3;..15.....3;1-2-3;2-2-3;2-1 |
fe00 | 2d 31 39 3b 00 02 31 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | -19;..16.....3;1-2-3;2-2-3;2-1-1 |
fe20 | 39 3b 00 02 31 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b | 9;..17.....3;1-2-3;1-1-19;2-1-2; |
fe40 | 32 2d 32 2d 33 3b 00 02 31 38 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 | 2-2-3;..18.....19;1-1-3;2-2-3;.. |
fe60 | 31 39 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 | 19.....19;1-1-3;2-2-3;....smiles |
fe80 | 00 25 00 00 00 4f 3d 43 31 63 32 63 28 4e 29 63 63 63 28 63 32 43 28 3d 4f 29 63 32 63 31 63 28 | .%...O=C1c2c(N)ccc(c2C(=O)c2c1c( |
fea0 | 4e 29 63 63 63 32 4e 29 4e 00 02 69 6e 63 68 69 00 5e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 | N)ccc2N)N..inchi.^...InChI=1S/C1 |
fec0 | 34 48 31 32 4e 34 4f 32 2f 63 31 35 2d 35 2d 31 2d 32 2d 36 28 31 36 29 31 30 2d 39 28 35 29 31 | 4H12N4O2/c15-5-1-2-6(16)10-9(5)1 |
fee0 | 33 28 31 39 29 31 31 2d 37 28 31 37 29 33 2d 34 2d 38 28 31 38 29 31 32 28 31 31 29 31 34 28 31 | 3(19)11-7(17)3-4-8(18)12(11)14(1 |
ff00 | 30 29 32 30 2f 68 31 2d 34 48 2c 31 35 2d 31 38 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 92 | 0)20/h1-4H,15-18H2..updated_at.. |
ff20 | ef 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 91 ef 5e 46 50 01 00 00 10 64 65 66 61 | .^FP....created_at...^FP....defa |
ff40 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 2c 04 00 00 07 5f | ult_fingerprint_size......,...._ |
ff60 | 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 54 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..f+r.+@..T.warnings.......f |
ff80 | 69 6e 67 65 72 70 72 69 6e 74 73 00 00 03 00 00 04 4d 50 32 44 00 f5 02 00 00 02 30 00 0f 00 00 | ingerprints......MP2D......0.... |
ffa0 | 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | .8;1-1-1;2-1-1;..1.....1;1-1-1;1 |
ffc0 | 2d 31 2d 38 3b 32 2d 31 2d 36 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 | -1-8;2-1-6;..2.....1;1-1-1;1-1-6 |
ffe0 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 00 22 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 | ;2-1-3;2-1-8;..3."...6;1-1-1;1-1 |
10000 | 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 34 00 22 00 00 00 33 3b | -3;2-1-1;2-1-3;2-1-11;..4."...3; |
10020 | 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 | 1-1-3;1-1-6;1-1-11;2-1-1;2-3-3;. |
10040 | 02 35 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d | .5.....11;1-2-3;2-2-3;2-1-6;2-1- |
10060 | 31 31 3b 00 02 36 00 24 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 32 2d 31 31 3b 32 2d 33 2d 33 3b | 11;..6.$...3;1-1-3;1-2-11;2-3-3; |
10080 | 32 2d 31 2d 31 33 3b 32 2d 31 2d 31 38 3b 00 02 37 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 | 2-1-13;2-1-18;..7.....11;1-2-3;1 |
100a0 | 2d 31 2d 31 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 11 00 00 00 31 33 3b 31 2d | -1-13;2-3-3;2-1-11;..8.....13;1- |
100c0 | 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 39 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | 1-11;2-2-3;..9.....3;1-2-3;1-1-1 |
100e0 | 31 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 2d 33 2d 33 3b | 1;2-4-3;2-1-13;..10.....3;1-3-3; |
10100 | 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 32 2d 31 31 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d | 2-2-3;2-1-6;2-2-11;..11.....3;1- |
10120 | 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 2-3;2-3-3;..12.....3;1-2-3;2-2-3 |
10140 | 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 16 00 00 | ;..13.....3;1-2-3;2-2-3;..14.... |
10160 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 35 00 1d 00 00 00 33 | .3;1-2-3;2-2-3;2-1-11;..15.....3 |
10180 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 36 00 | ;1-2-3;1-1-18;2-2-3;2-2-11;..16. |
101a0 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 31 37 00 1d 00 | ....3;1-2-3;2-2-3;2-1-18;..17... |
101c0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 31 39 3b 00 02 | ..3;1-2-3;2-1-3;2-1-18;2-1-19;.. |
101e0 | 31 38 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 38 3b 31 2d 31 2d 31 39 3b 32 2d 32 | 18.#...3;1-1-3;1-1-18;1-1-19;2-2 |
10200 | 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 39 00 17 00 00 00 31 38 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 | -3;2-2-9;..19.....18;1-2-3;2-3-3 |
10220 | 3b 32 2d 31 2d 31 39 3b 00 02 32 30 00 1d 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b | ;2-1-19;..20.....19;1-1-3;1-2-9; |
10240 | 32 2d 31 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 32 31 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 | 2-1-3;2-1-18;..21.....9;1-1-19;2 |
10260 | 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 32 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 | -1-3;2-1-9;..22.....9;1-1-19;2-1 |
10280 | 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 29 00 00 00 4f 43 43 4e 3d 63 31 6e | -3;2-1-9;....smiles.)...OCCN=c1n |
102a0 | 63 28 5b 6e 48 5d 63 32 63 31 63 63 63 63 32 29 63 31 63 63 63 28 73 31 29 4e 28 3d 4f 29 3d 4f | c([nH]c2c1cccc2)c1ccc(s1)N(=O)=O |
102c0 | 00 02 69 6e 63 68 69 00 73 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 32 4e 34 4f 33 53 | ..inchi.s...InChI=1S/C14H12N4O3S |
102e0 | 2f 63 31 39 2d 38 2d 37 2d 31 35 2d 31 33 2d 39 2d 33 2d 31 2d 32 2d 34 2d 31 30 28 39 29 31 36 | /c19-8-7-15-13-9-3-1-2-4-10(9)16 |
10300 | 2d 31 34 28 31 37 2d 31 33 29 31 31 2d 35 2d 36 2d 31 32 28 32 32 2d 31 31 29 31 38 28 32 30 29 | -14(17-13)11-5-6-12(22-11)18(20) |
10320 | 32 31 2f 68 31 2d 36 2c 31 39 48 2c 37 2d 38 48 32 2c 28 48 2c 31 35 2c 31 36 2c 31 37 29 00 09 | 21/h1-6,19H,7-8H2,(H,15,16,17).. |
10340 | 75 70 64 61 74 65 64 5f 61 74 00 9a ef 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 98 | updated_at...^FP....created_at.. |
10360 | ef 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | .^FP....default_fingerprint_size |
10380 | 00 00 00 00 00 00 ce 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 55 04 77 61 72 6e | ..........._id.V..f+r.+@..U.warn |
103a0 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b1 02 00 00 04 4d 50 32 | ings.......fingerprints......MP2 |
103c0 | 44 00 a6 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 15 | D......0.....1;1-1-8;2-1-3;..1.. |
103e0 | 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 1b 00 00 00 33 | ...8;1-1-1;1-1-3;2-2-3;..2.....3 |
10400 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 33 00 1c 00 00 | ;1-2-3;1-1-8;2-1-1;2-3-3;..3.... |
10420 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 39 3b 00 02 34 00 | .3;1-2-3;2-2-3;2-1-8;2-1-29;..4. |
10440 | 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 | "...3;1-2-3;1-1-29;2-1-1;2-2-3;2 |
10460 | 2d 31 2d 39 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 | -1-9;..5.....3;1-2-3;2-2-3;2-1-2 |
10480 | 39 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 37 00 1c 00 00 00 | 9;..6.....3;1-2-3;2-3-3;..7..... |
104a0 | 33 3b 31 2d 33 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 31 3b 00 02 38 00 1d | 3;1-3-3;2-2-3;2-1-8;2-2-11;..8.. |
104c0 | 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 32 2d 31 31 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 33 3b 00 | ...3;1-1-3;1-2-11;2-4-3;2-1-13;. |
104e0 | 02 39 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 | .9.....11;1-2-3;2-3-3;2-1-11;..1 |
10500 | 30 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 | 0.....3;1-2-3;1-1-11;2-2-3;2-2-1 |
10520 | 31 3b 00 02 31 31 00 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b | 1;..11.$...3;1-2-3;1-1-11;2-3-3; |
10540 | 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 02 31 32 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b | 2-1-11;2-1-13;..12.....11;1-2-3; |
10560 | 31 2d 31 2d 31 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 33 00 11 00 00 00 31 33 3b | 1-1-13;2-3-3;2-1-11;..13.....13; |
10580 | 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 1-1-11;2-2-3;..14.....3;1-2-3;2- |
105a0 | 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 35 00 16 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d | 1-3;2-2-11;..15.....3;1-1-3;1-1- |
105c0 | 31 31 3b 32 2d 32 2d 33 3b 00 02 31 36 00 10 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 11;2-2-3;..16.....11;1-2-3;2-2-3 |
105e0 | 3b 00 02 31 37 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 | ;..17.....3;1-1-3;1-1-11;2-2-3;2 |
10600 | 2d 31 2d 31 31 3b 00 02 31 38 00 1c 00 00 00 32 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d | -1-11;..18.....29;1-1-1;1-1-3;1- |
10620 | 31 2d 39 3b 32 2d 32 2d 33 3b 00 02 31 39 00 16 00 00 00 39 3b 31 2d 31 2d 32 39 3b 32 2d 31 2d | 1-9;2-2-3;..19.....9;1-1-29;2-1- |
10640 | 31 3b 32 2d 31 2d 33 3b 00 02 32 30 00 16 00 00 00 31 3b 31 2d 31 2d 32 39 3b 32 2d 31 2d 33 3b | 1;2-1-3;..20.....1;1-1-29;2-1-3; |
10660 | 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 25 00 00 00 43 4f 63 31 63 63 28 63 63 63 31 | 2-1-9;....smiles.%...COc1cc(ccc1 |
10680 | 63 31 6e 63 32 63 28 5b 6e 48 5d 31 29 63 63 6e 63 32 29 53 28 3d 4f 29 43 00 02 69 6e 63 68 69 | c1nc2c([nH]1)ccnc2)S(=O)C..inchi |
106a0 | 00 68 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 33 4e 33 4f 32 53 2f 63 31 2d 31 39 2d | .h...InChI=1S/C14H13N3O2S/c1-19- |
106c0 | 31 33 2d 37 2d 39 28 32 30 28 32 29 31 38 29 33 2d 34 2d 31 30 28 31 33 29 31 34 2d 31 36 2d 31 | 13-7-9(20(2)18)3-4-10(13)14-16-1 |
106e0 | 31 2d 35 2d 36 2d 31 35 2d 38 2d 31 32 28 31 31 29 31 37 2d 31 34 2f 68 33 2d 38 48 2c 31 2d 32 | 1-5-6-15-8-12(11)17-14/h3-8H,1-2 |
10700 | 48 33 2c 28 48 2c 31 36 2c 31 37 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 a1 ef 5e 46 50 01 00 | H3,(H,16,17)..updated_at...^FP.. |
10720 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 9f ef 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at...^FP....default_fi |
10740 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 b7 02 00 00 07 5f 69 64 00 56 16 1c | ngerprint_size..........._id.V.. |
10760 | 66 2b 72 ed 2b 40 00 00 56 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | f+r.+@..V.warnings.......fingerp |
10780 | 72 69 6e 74 73 00 b8 01 00 00 04 4d 50 32 44 00 ad 01 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 | rints......MP2D......0.....1;1-1 |
107a0 | 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 31 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 | -2;2-1-6;2-1-9;..1.....2;1-1-1;1 |
107c0 | 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 33 3b 00 02 32 00 21 00 00 00 36 3b 31 2d 31 2d 32 | -1-6;1-1-9;2-1-3;..2.!...6;1-1-2 |
107e0 | 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 1b 00 00 | ;1-1-3;2-1-1;2-2-3;2-1-9;..3.... |
10800 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 00 15 | .3;1-2-3;1-1-6;2-1-2;2-2-3;..4.. |
10820 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 35 00 0f 00 00 00 33 | ...3;1-2-3;2-2-3;2-1-6;..5.....3 |
10840 | 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 | ;1-2-3;2-3-3;..6.....3;1-3-3;2-4 |
10860 | 2d 33 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 38 00 15 00 00 | -3;..7.....3;1-2-3;2-3-3;..8.... |
10880 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 39 00 0f 00 00 00 33 3b 31 | .3;1-2-3;2-2-3;2-1-6;..9.....3;1 |
108a0 | 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d | -3-3;2-4-3;..10.....3;1-2-3;2-3- |
108c0 | 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 0f 00 | 3;..11.....3;1-2-3;2-2-3;..12... |
108e0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | ..3;1-2-3;2-2-3;..13.....3;1-2-3 |
10900 | 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 | ;2-2-3;..14.....3;1-2-3;2-3-3;.. |
10920 | 31 35 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 00 00 02 73 | 15.....9;1-1-2;2-1-1;2-1-6;....s |
10940 | 6d 69 6c 65 73 00 1a 00 00 00 43 43 28 3d 4e 63 31 63 63 63 28 63 63 31 29 63 31 63 63 63 63 63 | miles.....CC(=Nc1ccc(cc1)c1ccccc |
10960 | 31 29 4f 00 02 69 6e 63 68 69 00 55 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 33 4e 4f | 1)O..inchi.U...InChI=1S/C14H13NO |
10980 | 2f 63 31 2d 31 31 28 31 36 29 31 35 2d 31 34 2d 39 2d 37 2d 31 33 28 38 2d 31 30 2d 31 34 29 31 | /c1-11(16)15-14-9-7-13(8-10-14)1 |
109a0 | 32 2d 35 2d 33 2d 32 2d 34 2d 36 2d 31 32 2f 68 32 2d 31 30 48 2c 31 48 33 2c 28 48 2c 31 35 2c | 2-5-3-2-4-6-12/h2-10H,1H3,(H,15, |
109c0 | 31 36 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 a7 ef 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 | 16)..updated_at...^FP....created |
109e0 | 5f 61 74 00 a6 ef 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...^FP....default_fingerprint |
10a00 | 5f 73 69 7a 65 00 00 00 00 00 00 23 04 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 57 | _size......#...._id.V..f+r.+@..W |
10a20 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 f2 02 00 | .warnings.......fingerprints.... |
10a40 | 00 04 4d 50 32 44 00 e7 02 00 00 02 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 | ..MP2D......0.....32;1-1-2;2-1-1 |
10a60 | 3b 32 2d 31 2d 33 32 3b 00 02 31 00 17 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 | ;2-1-32;..1.....2;1-1-1;1-2-32;2 |
10a80 | 2d 31 2d 31 30 3b 00 02 32 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 | -1-10;..2.....32;1-1-2;2-1-1;2-1 |
10aa0 | 2d 33 32 3b 00 02 33 00 1d 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 | -32;..3.....1;1-1-2;1-1-10;2-1-3 |
10ac0 | 3b 32 2d 32 2d 33 32 3b 00 02 34 00 1d 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 | ;2-2-32;..4.....10;1-1-1;1-1-3;2 |
10ae0 | 2d 31 2d 32 3b 32 2d 32 2d 31 31 3b 00 02 35 00 24 00 00 00 33 3b 31 2d 31 2d 31 30 3b 31 2d 32 | -1-2;2-2-11;..5.$...3;1-1-10;1-2 |
10b00 | 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 36 00 25 00 00 00 31 | -11;2-1-1;2-2-3;2-1-13;..6.%...1 |
10b20 | 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d | 1;1-2-3;2-1-3;2-1-10;2-1-11;2-1- |
10b40 | 31 35 3b 00 02 37 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 35 | 15;..7.....3;1-1-3;1-1-11;1-1-15 |
10b60 | 3b 32 2d 32 2d 33 3b 00 02 38 00 17 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d | ;2-2-3;..8.....15;1-1-3;2-1-3;2- |
10b80 | 31 2d 31 31 3b 00 02 39 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 32 2d 31 | 1-11;..9.....3;1-2-3;2-1-6;2-2-1 |
10ba0 | 31 3b 32 2d 31 2d 31 35 3b 00 02 31 30 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b | 1;2-1-15;..10.#...3;1-1-3;1-1-6; |
10bc0 | 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 31 31 00 16 00 00 00 36 3b 31 | 1-1-11;2-3-3;2-1-13;..11.....6;1 |
10be0 | 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 32 00 1b 00 00 00 33 3b 31 2d 32 | -2-3;2-3-3;2-1-11;..12.....3;1-2 |
10c00 | 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 31 33 00 15 00 00 00 33 3b | -3;1-1-6;2-1-1;2-3-3;..13.....3; |
10c20 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 | 1-2-3;2-2-3;2-1-6;..14.....3;1-2 |
10c40 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b | -3;2-2-3;..15.....3;1-2-3;2-1-1; |
10c60 | 32 2d 32 2d 33 3b 00 02 31 36 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 | 2-2-3;..16.....3;1-1-1;1-2-3;2-1 |
10c80 | 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 37 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b | -1;2-2-3;..17.!...3;1-1-1;1-2-3; |
10ca0 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 38 00 0f 00 00 00 31 3b 31 2d 31 | 2-1-1;2-2-3;2-1-6;..18.....1;1-1 |
10cc0 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 39 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b | -3;2-2-3;..19.....1;1-1-3;2-2-3; |
10ce0 | 00 02 32 30 00 2b 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 31 2d 33 3b 32 | ..20.+...11;1-2-3;1-1-13;2-1-3;2 |
10d00 | 2d 31 2d 36 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 31 3b 00 02 32 31 00 11 00 00 00 31 33 3b 31 | -1-6;2-1-10;2-1-11;..21.....13;1 |
10d20 | 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 28 00 00 00 4f 43 28 3d 4f | -1-11;2-2-3;....smiles.(...OC(=O |
10d40 | 29 43 53 63 31 6e 63 28 43 6c 29 63 63 28 3d 4e 63 32 63 63 63 63 28 63 32 43 29 43 29 5b 6e 48 | )CSc1nc(Cl)cc(=Nc2cccc(c2C)C)[nH |
10d60 | 5d 31 00 02 69 6e 63 68 69 00 79 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 34 43 6c 4e | ]1..inchi.y...InChI=1S/C14H14ClN |
10d80 | 33 4f 32 53 2f 63 31 2d 38 2d 34 2d 33 2d 35 2d 31 30 28 39 28 38 29 32 29 31 36 2d 31 32 2d 36 | 3O2S/c1-8-4-3-5-10(9(8)2)16-12-6 |
10da0 | 2d 31 31 28 31 35 29 31 37 2d 31 34 28 31 38 2d 31 32 29 32 31 2d 37 2d 31 33 28 31 39 29 32 30 | -11(15)17-14(18-12)21-7-13(19)20 |
10dc0 | 2f 68 33 2d 36 48 2c 37 48 32 2c 31 2d 32 48 33 2c 28 48 2c 31 39 2c 32 30 29 28 48 2c 31 36 2c | /h3-6H,7H2,1-2H3,(H,19,20)(H,16, |
10de0 | 31 37 2c 31 38 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 ae ef 5e 46 50 01 00 00 09 63 72 65 61 | 17,18)..updated_at...^FP....crea |
10e00 | 74 65 64 5f 61 74 00 ad ef 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at...^FP....default_fingerpr |
10e20 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 d4 02 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 | int_size..........._id.V..f+r.+@ |
10e40 | 00 00 58 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 | ..X.warnings.......fingerprints. |
10e60 | d7 01 00 00 04 4d 50 32 44 00 cc 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 | .....MP2D......0.....1;1-1-1;2-1 |
10e80 | 2d 31 31 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 | -11;..1.....1;1-1-1;1-1-11;2-2-3 |
10ea0 | 3b 00 02 32 00 1c 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | ;..2.....11;1-1-1;1-2-3;2-1-1;2- |
10ec0 | 34 2d 33 3b 00 02 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 | 4-3;..3.....3;1-2-3;1-1-11;2-1-1 |
10ee0 | 3b 32 2d 34 2d 33 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | ;2-4-3;..4.....3;1-2-3;2-2-3;2-1 |
10f00 | 2d 31 31 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 | -11;..5.....3;1-2-3;2-2-3;2-1-19 |
10f20 | 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 | ;..6.....3;1-2-3;1-1-19;2-2-3;.. |
10f40 | 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 38 00 16 | 7.....3;1-2-3;2-3-3;2-1-19;..8.. |
10f60 | 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 39 00 16 00 00 00 | ...3;1-3-3;2-4-3;2-1-11;..9..... |
10f80 | 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 1c 00 00 00 33 3b | 3;1-3-3;2-4-3;2-1-11;..10.....3; |
10fa0 | 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 34 2d 33 3b 00 02 31 31 00 16 00 | 1-2-3;1-1-11;2-1-1;2-4-3;..11... |
10fc0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 32 00 0f 00 00 00 | ..3;1-2-3;2-2-3;2-1-11;..12..... |
10fe0 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-2-3;2-2-3;..13.....3;1-2-3;2 |
11000 | 2d 32 2d 33 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 35 | -2-3;..14.....3;1-2-3;2-3-3;..15 |
11020 | 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 19 | .....19;1-1-3;2-2-3;....smiles.. |
11040 | 00 00 00 43 43 6e 31 63 32 63 63 63 28 63 63 32 63 32 63 31 63 63 63 63 32 29 4e 00 02 69 6e 63 | ...CCn1c2ccc(cc2c2c1cccc2)N..inc |
11060 | 68 69 00 54 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 34 4e 32 2f 63 31 2d 32 2d 31 36 | hi.T...InChI=1S/C14H14N2/c1-2-16 |
11080 | 2d 31 33 2d 36 2d 34 2d 33 2d 35 2d 31 31 28 31 33 29 31 32 2d 39 2d 31 30 28 31 35 29 37 2d 38 | -13-6-4-3-5-11(13)12-9-10(15)7-8 |
110a0 | 2d 31 34 28 31 32 29 31 36 2f 68 33 2d 39 48 2c 32 2c 31 35 48 32 2c 31 48 33 00 09 75 70 64 61 | -14(12)16/h3-9H,2,15H2,1H3..upda |
110c0 | 74 65 64 5f 61 74 00 b5 ef 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 b3 ef 5e 46 50 | ted_at...^FP....created_at...^FP |
110e0 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
11100 | 00 00 00 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 59 04 77 61 72 6e 69 6e 67 73 | ......._id.V..f+r.+@..Y.warnings |
11120 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 03 02 00 00 04 4d 50 32 44 00 f8 01 | .......fingerprints......MP2D... |
11140 | 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 1c 00 00 00 33 | ...0.....1;1-1-3;2-2-3;..1.....3 |
11160 | 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 32 00 1b 00 | ;1-1-1;1-2-3;2-2-3;2-1-19;..2... |
11180 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 33 00 | ..3;1-2-3;2-1-1;2-2-3;2-1-6;..3. |
111a0 | 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 | ....3;1-2-3;1-1-6;2-2-3;2-1-6;.. |
111c0 | 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 35 00 16 00 | 4.....3;1-2-3;2-2-3;2-1-6;..5... |
111e0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 36 00 1c 00 00 00 33 | ..3;1-2-3;2-2-3;2-1-19;..6.....3 |
11200 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 10 00 | ;1-2-3;1-1-19;2-1-1;2-2-3;..7... |
11220 | 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 36 3b 31 2d 31 2d 33 | ..19;1-1-3;2-2-3;..8.....6;1-1-3 |
11240 | 3b 31 2d 31 2d 36 3b 32 2d 33 2d 33 3b 00 02 39 00 15 00 00 00 36 3b 31 2d 31 2d 33 3b 31 2d 31 | ;1-1-6;2-3-3;..9.....6;1-1-3;1-1 |
11260 | 2d 36 3b 32 2d 33 2d 33 3b 00 02 31 30 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b | -6;2-3-3;..10.!...3;1-2-3;1-1-6; |
11280 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 | 2-1-1;2-2-3;2-1-6;..11.....3;1-2 |
112a0 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-2-3;2-1-6;..12.....3;1-2-3; |
112c0 | 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | 2-2-3;..13.....3;1-2-3;2-2-3;..1 |
112e0 | 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 35 00 1b | 4.....3;1-2-3;2-1-1;2-2-3;..15.. |
11300 | 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 | ...3;1-1-1;1-2-3;2-2-3;2-1-6;..1 |
11320 | 36 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 19 | 6.....1;1-1-3;2-2-3;....smiles.. |
11340 | 00 00 00 43 63 31 63 63 28 63 63 63 31 4e 29 4e 3d 4e 63 31 63 63 63 63 63 31 43 00 02 69 6e 63 | ...Cc1cc(ccc1N)N=Nc1ccccc1C..inc |
11360 | 68 69 00 54 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 35 4e 33 2f 63 31 2d 31 30 2d 35 | hi.T...InChI=1S/C14H15N3/c1-10-5 |
11380 | 2d 33 2d 34 2d 36 2d 31 34 28 31 30 29 31 37 2d 31 36 2d 31 32 2d 37 2d 38 2d 31 33 28 31 35 29 | -3-4-6-14(10)17-16-12-7-8-13(15) |
113a0 | 31 31 28 32 29 39 2d 31 32 2f 68 33 2d 39 48 2c 31 35 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 | 11(2)9-12/h3-9H,15H2,1-2H3..upda |
113c0 | 74 65 64 5f 61 74 00 bb ef 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 b9 ef 5e 46 50 | ted_at...^FP....created_at...^FP |
113e0 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
11400 | 00 00 f4 02 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 5a 04 77 61 72 6e 69 6e 67 73 | ......._id.V..f+r.+@..Z.warnings |
11420 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 f9 01 00 00 04 4d 50 32 44 00 ee 01 | .......fingerprints......MP2D... |
11440 | 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 | ...0.....1;1-1-19;2-1-1;2-1-3;.. |
11460 | 31 00 16 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 1c | 1.....19;1-2-1;1-1-3;2-2-3;..2.. |
11480 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 | ...3;1-2-3;1-1-19;2-2-1;2-2-3;.. |
114a0 | 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 34 00 15 | 3.....3;1-2-3;2-2-3;2-1-19;..4.. |
114c0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 35 00 1b 00 00 00 33 | ...3;1-2-3;2-2-3;2-1-6;..5.....3 |
114e0 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 36 00 15 00 00 | ;1-2-3;1-1-6;2-2-3;2-1-6;..6.... |
11500 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 37 00 16 00 00 00 33 3b 31 | .3;1-2-3;2-2-3;2-1-6;..7.....3;1 |
11520 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 38 00 15 00 00 00 36 3b 31 2d 31 2d | -2-3;2-2-3;2-1-19;..8.....6;1-1- |
11540 | 33 3b 31 2d 31 2d 36 3b 32 2d 33 2d 33 3b 00 02 39 00 15 00 00 00 36 3b 31 2d 31 2d 33 3b 31 2d | 3;1-1-6;2-3-3;..9.....6;1-1-3;1- |
11560 | 31 2d 36 3b 32 2d 33 2d 33 3b 00 02 31 30 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 | 1-6;2-3-3;..10.....3;1-2-3;1-1-6 |
11580 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-3;2-1-6;..11.....3;1-2-3;2- |
115a0 | 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 2-3;2-1-6;..12.....3;1-2-3;2-2-3 |
115c0 | 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f 00 00 | ;..13.....3;1-2-3;2-2-3;..14.... |
115e0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | .3;1-2-3;2-2-3;..15.....3;1-2-3; |
11600 | 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 36 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d | 2-2-3;2-1-6;..16.....1;1-1-19;2- |
11620 | 31 2d 31 3b 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1b 00 00 00 43 4e 28 63 31 63 63 | 1-1;2-1-3;....smiles.....CN(c1cc |
11640 | 63 28 63 63 31 29 4e 3d 4e 63 31 63 63 63 63 63 31 29 43 00 02 69 6e 63 68 69 00 50 00 00 00 49 | c(cc1)N=Nc1ccccc1)C..inchi.P...I |
11660 | 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 35 4e 33 2f 63 31 2d 31 37 28 32 29 31 34 2d 31 30 2d 38 | nChI=1S/C14H15N3/c1-17(2)14-10-8 |
11680 | 2d 31 33 28 39 2d 31 31 2d 31 34 29 31 36 2d 31 35 2d 31 32 2d 36 2d 34 2d 33 2d 35 2d 37 2d 31 | -13(9-11-14)16-15-12-6-4-3-5-7-1 |
116a0 | 32 2f 68 33 2d 31 31 48 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 c2 ef 5e 46 50 | 2/h3-11H,1-2H3..updated_at...^FP |
116c0 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c0 ef 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at...^FP....default_ |
116e0 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 0c 04 00 00 07 5f 69 64 00 56 | fingerprint_size..........._id.V |
11700 | 16 1c 66 2b 72 ed 2b 40 00 00 5b 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..f+r.+@..[.warnings.......finge |
11720 | 72 70 72 69 6e 74 73 00 e1 02 00 00 04 4d 50 32 44 00 d6 02 00 00 02 30 00 15 00 00 00 39 3b 31 | rprints......MP2D......0.....9;1 |
11740 | 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 00 21 00 00 00 32 3b 31 2d 31 2d 31 | -1-2;2-1-1;2-1-6;..1.!...2;1-1-1 |
11760 | 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 32 00 21 00 00 | ;1-1-6;1-1-9;2-1-1;2-1-6;..2.!.. |
11780 | 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 | .6;1-1-2;1-1-6;2-1-1;2-1-2;2-1-9 |
117a0 | 3b 00 02 33 00 21 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 | ;..3.!...6;1-1-2;1-1-6;2-1-1;2-1 |
117c0 | 2d 32 3b 32 2d 31 2d 33 3b 00 02 34 00 27 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 | -2;2-1-3;..4.'...2;1-1-1;1-1-3;1 |
117e0 | 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 35 00 21 00 00 00 31 | -1-6;2-1-1;2-2-3;2-1-6;..5.!...1 |
11800 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 00 | ;1-1-1;1-1-2;2-1-2;2-1-3;2-1-6;. |
11820 | 02 36 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 | .6.!...1;1-1-1;1-1-2;2-1-2;2-1-6 |
11840 | 3b 32 2d 31 2d 39 3b 00 02 37 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 | ;2-1-9;..7.!...3;1-1-2;1-2-3;2-1 |
11860 | 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | -1;2-2-3;2-1-6;..8.....3;1-2-3;2 |
11880 | 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -1-2;2-2-3;..9.....3;1-2-3;2-2-3 |
118a0 | 3b 32 2d 31 2d 36 3b 00 02 31 30 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d | ;2-1-6;..10.!...3;1-2-3;1-1-6;2- |
118c0 | 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 31 00 27 00 00 00 33 3b 31 2d 31 2d 31 | 1-1;2-1-2;2-2-3;..11.'...3;1-1-1 |
118e0 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 | ;1-2-3;2-2-1;2-1-2;2-2-3;2-1-6;. |
11900 | 02 31 32 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d | .12.....3;1-2-3;2-1-1;2-1-2;2-2- |
11920 | 33 3b 00 02 31 33 00 27 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 | 3;..13.'...1;1-2-1;1-1-2;1-1-3;2 |
11940 | 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 31 34 00 1b 00 00 00 31 3b 31 2d 31 2d | -2-3;2-1-6;2-1-9;..14.....1;1-1- |
11960 | 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 35 00 1b 00 00 00 31 3b 31 | 1;2-1-1;2-1-2;2-1-3;..15.....1;1 |
11980 | 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 36 00 21 00 00 00 | -1-1;2-1-1;2-1-2;2-1-3;..16.!... |
119a0 | 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b | 2;1-1-1;1-1-6;1-1-9;2-2-1;2-2-3; |
119c0 | 00 02 31 37 00 21 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 | ..17.!...6;1-1-2;1-1-3;2-1-1;2-2 |
119e0 | 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 38 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b | -3;2-1-9;..18.....9;1-1-2;2-1-1; |
11a00 | 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 27 00 00 00 4f 43 31 3d 4e 4e 3d 43 28 43 43 | 2-1-6;....smiles.'...OC1=NN=C(CC |
11a20 | 31 29 63 31 63 63 63 32 63 28 63 31 29 43 28 43 29 28 43 29 43 28 3d 4e 32 29 4f 00 02 69 6e 63 | 1)c1ccc2c(c1)C(C)(C)C(=N2)O..inc |
11a40 | 68 69 00 74 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 35 4e 33 4f 32 2f 63 31 2d 31 34 | hi.t...InChI=1S/C14H15N3O2/c1-14 |
11a60 | 28 32 29 39 2d 37 2d 38 28 33 2d 34 2d 31 31 28 39 29 31 35 2d 31 33 28 31 34 29 31 39 29 31 30 | (2)9-7-8(3-4-11(9)15-13(14)19)10 |
11a80 | 2d 35 2d 36 2d 31 32 28 31 38 29 31 37 2d 31 36 2d 31 30 2f 68 33 2d 34 2c 37 48 2c 35 2d 36 48 | -5-6-12(18)17-16-10/h3-4,7H,5-6H |
11aa0 | 32 2c 31 2d 32 48 33 2c 28 48 2c 31 35 2c 31 39 29 28 48 2c 31 37 2c 31 38 29 00 09 75 70 64 61 | 2,1-2H3,(H,15,19)(H,17,18)..upda |
11ac0 | 74 65 64 5f 61 74 00 c8 ef 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c7 ef 5e 46 50 | ted_at...^FP....created_at...^FP |
11ae0 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
11b00 | 00 00 c4 02 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 5c 04 77 61 72 6e 69 6e 67 73 | ......._id.V..f+r.+@..\.warnings |
11b20 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c6 01 00 00 04 4d 50 32 44 00 bb 01 | .......fingerprints......MP2D... |
11b40 | 00 00 02 30 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 1c 00 00 00 | ...0.....19;1-1-3;2-2-3;..1..... |
11b60 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 00 16 | 3;1-2-3;1-1-19;2-1-1;2-2-3;..2.. |
11b80 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 0f 00 00 00 | ...3;1-2-3;2-2-3;2-1-19;..3..... |
11ba0 | 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d | 3;1-2-3;2-3-3;..4.....3;1-3-3;2- |
11bc0 | 34 2d 33 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b | 4-3;..5.....3;1-2-3;2-1-1;2-3-3; |
11be0 | 00 02 36 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | ..6.....3;1-1-1;1-2-3;2-2-3;2-1- |
11c00 | 31 39 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 | 19;..7.....1;1-1-3;2-2-3;..8.... |
11c20 | 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | .3;1-3-3;2-4-3;..9.....3;1-2-3;2 |
11c40 | 2d 33 2d 33 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | -3-3;..10.....3;1-2-3;2-2-3;2-1- |
11c60 | 31 39 3b 00 02 31 31 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 | 19;..11.....3;1-2-3;1-1-19;2-1-1 |
11c80 | 3b 32 2d 32 2d 33 3b 00 02 31 32 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-3;..12.....3;1-1-1;1-2-3;2- |
11ca0 | 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 2-3;2-1-19;..13.....3;1-2-3;2-1- |
11cc0 | 31 3b 32 2d 33 2d 33 3b 00 02 31 34 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | 1;2-3-3;..14.....1;1-1-3;2-2-3;. |
11ce0 | 02 31 35 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 | .15.....19;1-1-3;2-2-3;....smile |
11d00 | 73 00 1b 00 00 00 4e 63 31 63 63 63 28 63 63 31 43 29 63 31 63 63 63 28 63 28 63 31 29 43 29 4e | s.....Nc1ccc(cc1C)c1ccc(c(c1)C)N |
11d20 | 00 02 69 6e 63 68 69 00 53 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 36 4e 32 2f 63 31 | ..inchi.S...InChI=1S/C14H16N2/c1 |
11d40 | 2d 39 2d 37 2d 31 31 28 33 2d 35 2d 31 33 28 39 29 31 35 29 31 32 2d 34 2d 36 2d 31 34 28 31 36 | -9-7-11(3-5-13(9)15)12-4-6-14(16 |
11d60 | 29 31 30 28 32 29 38 2d 31 32 2f 68 33 2d 38 48 2c 31 35 2d 31 36 48 32 2c 31 2d 32 48 33 00 09 | )10(2)8-12/h3-8H,15-16H2,1-2H3.. |
11d80 | 75 70 64 61 74 65 64 5f 61 74 00 ce ef 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 cd | updated_at...^FP....created_at.. |
11da0 | ef 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | .^FP....default_fingerprint_size |
11dc0 | 00 00 00 00 00 00 15 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 5d 04 77 61 72 6e | ..........._id.V..f+r.+@..].warn |
11de0 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 0c 02 00 00 04 4d 50 32 | ings.......fingerprints......MP2 |
11e00 | 44 00 01 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 15 | D......0.....1;1-1-8;2-1-3;..1.. |
11e20 | 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 22 00 00 00 33 | ...8;1-1-1;1-1-3;2-2-3;..2."...3 |
11e40 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b | ;1-2-3;1-1-8;2-1-1;2-2-3;2-1-19; |
11e60 | 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 | ..3.....3;1-2-3;2-3-3;2-1-8;..4. |
11e80 | 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d | ....3;1-3-3;2-4-3;..5.....3;1-2- |
11ea0 | 33 3b 32 2d 33 2d 33 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | 3;2-3-3;..6.....3;1-2-3;2-2-3;2- |
11ec0 | 31 2d 31 39 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d | 1-19;..7.....3;1-2-3;1-1-19;2-2- |
11ee0 | 33 3b 32 2d 31 2d 38 3b 00 02 38 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | 3;2-1-8;..8.....19;1-1-3;2-2-3;. |
11f00 | 02 39 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 30 00 0f 00 00 00 33 3b | .9.....3;1-3-3;2-4-3;..10.....3; |
11f20 | 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 1-2-3;2-3-3;..11.....3;1-2-3;2-2 |
11f40 | 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | -3;2-1-19;..12.....3;1-2-3;1-1-1 |
11f60 | 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 33 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 9;2-2-3;2-1-8;..13."...3;1-2-3;1 |
11f80 | 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 34 00 15 00 00 | -1-8;2-1-1;2-2-3;2-1-19;..14.... |
11fa0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 35 00 15 00 00 00 38 3b | .3;1-2-3;2-3-3;2-1-8;..15.....8; |
11fc0 | 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 0f 00 00 00 31 3b 31 2d 31 | 1-1-1;1-1-3;2-2-3;..16.....1;1-1 |
11fe0 | 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 37 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | -8;2-1-3;..17.....19;1-1-3;2-2-3 |
12000 | 3b 00 00 00 02 73 6d 69 6c 65 73 00 1d 00 00 00 43 4f 63 31 63 63 28 63 63 63 31 4e 29 63 31 63 | ;....smiles.....COc1cc(ccc1N)c1c |
12020 | 63 63 28 63 28 63 31 29 4f 43 29 4e 00 02 69 6e 63 68 69 00 5c 00 00 00 49 6e 43 68 49 3d 31 53 | cc(c(c1)OC)N..inchi.\...InChI=1S |
12040 | 2f 43 31 34 48 31 36 4e 32 4f 32 2f 63 31 2d 31 37 2d 31 33 2d 37 2d 39 28 33 2d 35 2d 31 31 28 | /C14H16N2O2/c1-17-13-7-9(3-5-11( |
12060 | 31 33 29 31 35 29 31 30 2d 34 2d 36 2d 31 32 28 31 36 29 31 34 28 38 2d 31 30 29 31 38 2d 32 2f | 13)15)10-4-6-12(16)14(8-10)18-2/ |
12080 | 68 33 2d 38 48 2c 31 35 2d 31 36 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 | h3-8H,15-16H2,1-2H3..updated_at. |
120a0 | d4 ef 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d3 ef 5e 46 50 01 00 00 10 64 65 66 | ..^FP....created_at...^FP....def |
120c0 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 e9 03 00 00 07 | ault_fingerprint_size........... |
120e0 | 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 5e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..f+r.+@..^.warnings....... |
12100 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b6 02 00 00 04 4d 50 32 44 00 ab 02 00 00 02 30 00 0f 00 | fingerprints......MP2D......0... |
12120 | 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b | ..1;1-1-1;2-2-1;..1.....1;1-3-1; |
12140 | 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 32 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 34 2d | 2-1-1;2-1-5;..2.....1;1-2-1;2-4- |
12160 | 31 3b 00 02 33 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 | 1;..3.....1;1-3-1;2-1-1;2-1-5;.. |
12180 | 34 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 35 00 1c 00 00 00 31 3b 31 2d | 4.....1;1-1-1;2-2-1;..5.....1;1- |
121a0 | 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 33 2d 31 3b 32 2d 31 2d 33 30 3b 00 02 36 00 22 00 00 00 35 | 1-1;1-1-5;2-3-1;2-1-30;..6."...5 |
121c0 | 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 30 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b | ;1-2-1;1-1-30;2-2-1;2-1-3;2-2-9; |
121e0 | 00 02 37 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 33 2d 31 3b 32 2d 31 2d | ..7.....1;1-1-1;1-1-5;2-3-1;2-1- |
12200 | 33 30 3b 00 02 38 00 22 00 00 00 33 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 35 3b 31 2d 32 2d 39 3b | 30;..8."...30;1-1-3;1-1-5;1-2-9; |
12220 | 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 1c 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 | 2-2-1;2-2-3;..9.....9;1-1-30;2-1 |
12240 | 2d 33 3b 32 2d 31 2d 35 3b 32 2d 31 2d 39 3b 00 02 31 30 00 1c 00 00 00 39 3b 31 2d 31 2d 33 30 | -3;2-1-5;2-1-9;..10.....9;1-1-30 |
12260 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 35 3b 32 2d 31 2d 39 3b 00 02 31 31 00 22 00 00 00 33 3b 31 2d | ;2-1-3;2-1-5;2-1-9;..11."...3;1- |
12280 | 32 2d 33 3b 31 2d 31 2d 33 30 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 32 2d 32 2d 39 3b 00 02 31 | 2-3;1-1-30;2-2-3;2-1-5;2-2-9;..1 |
122a0 | 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 33 00 | 2.....3;1-2-3;2-2-3;2-1-30;..13. |
122c0 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 34 00 1c 00 | ....3;1-2-3;2-2-3;2-1-15;..14... |
122e0 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 | ..3;1-2-3;1-1-15;2-1-2;2-2-3;..1 |
12300 | 35 00 23 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 | 5.#...3;1-1-2;1-2-3;2-2-3;2-1-15 |
12320 | 3b 32 2d 32 2d 33 32 3b 00 02 31 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 | ;2-2-32;..16.....3;1-2-3;2-1-2;2 |
12340 | 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 37 00 16 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 32 | -2-3;2-1-30;..17.....2;1-1-3;1-2 |
12360 | 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 31 38 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d | -32;2-2-3;..18.....32;1-1-2;2-1- |
12380 | 33 3b 32 2d 31 2d 33 32 3b 00 02 31 39 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 | 3;2-1-32;..19.....32;1-1-2;2-1-3 |
123a0 | 3b 32 2d 31 2d 33 32 3b 00 02 32 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b | ;2-1-32;..20.....15;1-1-3;2-2-3; |
123c0 | 00 00 00 02 73 6d 69 6c 65 73 00 2c 00 00 00 43 43 31 43 43 28 43 29 43 4e 28 43 31 29 53 28 3d | ....smiles.,...CC1CC(C)CN(C1)S(= |
123e0 | 4f 29 28 3d 4f 29 63 31 63 63 63 28 63 28 63 31 29 43 28 3d 4f 29 4f 29 43 6c 00 02 69 6e 63 68 | O)(=O)c1ccc(c(c1)C(=O)O)Cl..inch |
12400 | 69 00 77 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 38 43 6c 4e 4f 34 53 2f 63 31 2d 39 | i.w...InChI=1S/C14H18ClNO4S/c1-9 |
12420 | 2d 35 2d 31 30 28 32 29 38 2d 31 36 28 37 2d 39 29 32 31 28 31 39 2c 32 30 29 31 31 2d 33 2d 34 | -5-10(2)8-16(7-9)21(19,20)11-3-4 |
12440 | 2d 31 33 28 31 35 29 31 32 28 36 2d 31 31 29 31 34 28 31 37 29 31 38 2f 68 33 2d 34 2c 36 2c 39 | -13(15)12(6-11)14(17)18/h3-4,6,9 |
12460 | 2d 31 30 48 2c 35 2c 37 2d 38 48 32 2c 31 2d 32 48 33 2c 28 48 2c 31 37 2c 31 38 29 00 09 75 70 | -10H,5,7-8H2,1-2H3,(H,17,18)..up |
12480 | 64 61 74 65 64 5f 61 74 00 da ef 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d9 ef 5e | dated_at...^FP....created_at...^ |
124a0 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
124c0 | 00 00 00 00 7f 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 5f 04 77 61 72 6e 69 6e | ........._id.V..f+r.+@.._.warnin |
124e0 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 6b 02 00 00 04 4d 50 32 44 00 | gs.......fingerprints.k....MP2D. |
12500 | 60 02 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 17 00 | `....0.....15;1-1-1;2-1-1;..1... |
12520 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 39 3b 00 02 32 00 23 00 00 00 | ..1;1-1-1;1-1-15;2-1-19;..2.#... |
12540 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 | 1;1-1-1;1-1-19;2-1-1;2-1-3;2-1-1 |
12560 | 35 3b 00 02 33 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 | 5;..3.....19;1-2-1;1-1-3;2-2-1;2 |
12580 | 2d 32 2d 33 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d | -2-3;..4.....3;1-2-3;1-1-19;2-2- |
125a0 | 31 3b 32 2d 32 2d 33 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | 1;2-2-3;..5.....3;1-2-3;2-2-3;2- |
125c0 | 31 2d 31 39 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | 1-19;..6.....3;1-2-3;2-1-1;2-2-3 |
125e0 | 3b 00 02 37 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 | ;..7.....3;1-1-1;1-2-3;2-1-1;2-2 |
12600 | 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | -3;..8.....3;1-2-3;2-1-1;2-2-3;. |
12620 | 02 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 30 | .9.....3;1-2-3;2-2-3;2-1-19;..10 |
12640 | 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | .....1;1-1-1;1-1-3;2-1-1;2-2-3;. |
12660 | 02 31 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 32 | .11.....1;1-2-1;2-1-2;2-1-3;..12 |
12680 | 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 32 3b | .....1;1-1-1;1-1-2;2-1-1;2-2-32; |
126a0 | 00 02 31 33 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d 31 3b 00 02 | ..13.....2;1-1-1;1-2-32;2-1-1;.. |
126c0 | 31 34 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 31 | 14.....32;1-1-2;2-1-1;2-1-32;..1 |
126e0 | 35 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 31 36 | 5.....32;1-1-2;2-1-1;2-1-32;..16 |
12700 | 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b | .#...1;1-1-1;1-1-19;2-1-1;2-1-3; |
12720 | 32 2d 31 2d 31 35 3b 00 02 31 37 00 17 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 | 2-1-15;..17.....1;1-1-1;1-1-15;2 |
12740 | 2d 31 2d 31 39 3b 00 02 31 38 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 | -1-19;..18.....15;1-1-1;2-1-1;.. |
12760 | 00 02 73 6d 69 6c 65 73 00 1f 00 00 00 43 6c 43 43 4e 28 63 31 63 63 63 28 63 63 31 29 43 43 43 | ..smiles.....ClCCN(c1ccc(cc1)CCC |
12780 | 43 28 3d 4f 29 4f 29 43 43 43 6c 00 02 69 6e 63 68 69 00 65 00 00 00 49 6e 43 68 49 3d 31 53 2f | C(=O)O)CCCl..inchi.e...InChI=1S/ |
127a0 | 43 31 34 48 31 39 43 6c 32 4e 4f 32 2f 63 31 35 2d 38 2d 31 30 2d 31 37 28 31 31 2d 39 2d 31 36 | C14H19Cl2NO2/c15-8-10-17(11-9-16 |
127c0 | 29 31 33 2d 36 2d 34 2d 31 32 28 35 2d 37 2d 31 33 29 32 2d 31 2d 33 2d 31 34 28 31 38 29 31 39 | )13-6-4-12(5-7-13)2-1-3-14(18)19 |
127e0 | 2f 68 34 2d 37 48 2c 31 2d 33 2c 38 2d 31 31 48 32 2c 28 48 2c 31 38 2c 31 39 29 00 09 75 70 64 | /h4-7H,1-3,8-11H2,(H,18,19)..upd |
12800 | 61 74 65 64 5f 61 74 00 e0 ef 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 df ef 5e 46 | ated_at...^FP....created_at...^F |
12820 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
12840 | 00 00 00 65 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 60 04 77 61 72 6e 69 6e 67 | ...e...._id.V..f+r.+@..`.warning |
12860 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 5a 02 00 00 04 4d 50 32 44 00 4f | s.......fingerprints.Z....MP2D.O |
12880 | 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 31 00 0f 00 00 00 | ....0.....1;1-1-5;2-2-1;..1..... |
128a0 | 35 3b 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | 5;1-3-1;2-1-1;..2.....1;1-1-1;1- |
128c0 | 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 33 00 22 00 00 00 31 3b 31 2d 31 2d 31 | 1-5;2-2-1;2-1-19;..3."...1;1-1-1 |
128e0 | 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 35 3b 00 02 34 00 23 00 | ;1-1-19;2-1-1;2-1-3;2-1-5;..4.#. |
12900 | 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 | ..19;1-2-1;1-1-3;2-1-1;2-2-3;2-1 |
12920 | 2d 31 31 3b 00 02 35 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 | -11;..5.#...3;1-1-3;1-1-11;1-1-1 |
12940 | 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 9;2-2-1;2-2-3;..6.....3;1-2-3;2- |
12960 | 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d | 1-3;2-1-11;2-1-19;..7.....3;1-2- |
12980 | 33 3b 32 2d 32 2d 33 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d | 3;2-2-3;..8.....3;1-2-3;2-1-3;2- |
129a0 | 31 2d 31 31 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d | 1-11;..9.....3;1-1-3;1-1-11;2-2- |
129c0 | 33 3b 00 02 31 30 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 | 3;..10.....11;1-2-3;2-2-3;2-1-19 |
129e0 | 3b 00 02 31 31 00 23 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 | ;..11.#...1;1-1-3;1-1-19;2-1-1;2 |
12a00 | 2d 32 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 31 32 00 23 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 | -2-3;2-1-18;..12.#...3;1-1-1;1-1 |
12a20 | 2d 33 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 1c 00 00 00 | -3;1-1-18;2-2-3;2-1-19;..13..... |
12a40 | 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 31 34 00 | 3;1-2-3;2-1-1;2-1-3;2-1-18;..14. |
12a60 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 31 35 00 16 00 | ....3;1-2-3;2-1-3;2-1-18;..15... |
12a80 | 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 33 3b 00 02 31 36 00 16 00 00 00 | ..3;1-1-3;1-1-18;2-2-3;..16..... |
12aa0 | 31 38 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 37 00 0f 00 00 00 31 3b | 18;1-2-3;2-1-1;2-2-3;..17.....1; |
12ac0 | 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 1b 00 00 00 43 4e 28 43 43 | 1-1-5;2-2-1;....smiles.....CN(CC |
12ae0 | 4e 28 63 31 63 63 63 63 6e 31 29 43 63 31 63 63 63 73 31 29 43 00 02 69 6e 63 68 69 00 60 00 00 | N(c1ccccn1)Cc1cccs1)C..inchi.`.. |
12b00 | 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 39 4e 33 53 2f 63 31 2d 31 36 28 32 29 39 2d 31 30 | .InChI=1S/C14H19N3S/c1-16(2)9-10 |
12b20 | 2d 31 37 28 31 32 2d 31 33 2d 36 2d 35 2d 31 31 2d 31 38 2d 31 33 29 31 34 2d 37 2d 33 2d 34 2d | -17(12-13-6-5-11-18-13)14-7-3-4- |
12b40 | 38 2d 31 35 2d 31 34 2f 68 33 2d 38 2c 31 31 48 2c 39 2d 31 30 2c 31 32 48 32 2c 31 2d 32 48 33 | 8-15-14/h3-8,11H,9-10,12H2,1-2H3 |
12b60 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 e6 ef 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at...^FP....created_at |
12b80 | 00 e5 ef 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | ...^FP....default_fingerprint_si |
12ba0 | 7a 65 00 00 00 00 00 00 6e 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 61 04 77 61 | ze......n...._id.V..f+r.+@..a.wa |
12bc0 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 62 02 00 00 04 4d | rnings.......fingerprints.b....M |
12be0 | 50 32 44 00 57 02 00 00 02 30 00 10 00 00 00 31 34 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 | P2D.W....0.....14;1-1-3;2-2-3;.. |
12c00 | 31 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 34 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 | 1.....3;1-2-3;1-1-14;2-1-2;2-2-3 |
12c20 | 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 34 3b 00 02 | ;..2.....3;1-2-3;2-2-3;2-2-14;.. |
12c40 | 33 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 34 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | 3.....3;1-2-3;1-1-14;2-2-3;2-1-1 |
12c60 | 39 3b 00 02 34 00 10 00 00 00 31 34 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 23 00 00 | 9;..4.....14;1-1-3;2-2-3;..5.#.. |
12c80 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d | .3;1-2-3;1-1-19;2-1-2;2-2-3;2-1- |
12ca0 | 31 34 3b 00 02 36 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 | 14;..6.(...3;1-1-2;1-2-3;2-1-2;2 |
12cc0 | 2d 33 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 37 00 28 00 00 00 33 3b 31 2d 31 2d | -3-3;2-1-9;2-1-19;..7.(...3;1-1- |
12ce0 | 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 34 | 2;1-2-3;2-1-2;2-3-3;2-1-9;2-1-14 |
12d00 | 3b 00 02 38 00 15 00 00 00 32 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 34 2d 33 3b 00 02 39 | ;..8.....2;1-2-3;1-1-9;2-4-3;..9 |
12d20 | 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 30 00 21 00 00 00 33 3b 31 2d | .....9;1-1-2;2-2-3;..10.!...3;1- |
12d40 | 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 31 | 1-2;1-2-3;2-1-2;2-3-3;2-1-9;..11 |
12d60 | 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 32 00 0f 00 | .....3;1-2-3;2-1-2;2-2-3;..12... |
12d80 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | ..3;1-2-3;2-2-3;..13.....3;1-2-3 |
12da0 | 3b 32 2d 32 2d 33 3b 00 02 31 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d | ;2-2-3;..14.....3;1-2-3;2-1-2;2- |
12dc0 | 32 2d 33 3b 00 02 31 35 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 | 2-3;..15.!...3;1-1-2;1-2-3;2-1-2 |
12de0 | 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 36 00 15 00 00 00 32 3b 31 2d 32 2d 33 3b 31 2d | ;2-3-3;2-1-9;..16.....2;1-2-3;1- |
12e00 | 31 2d 39 3b 32 2d 34 2d 33 3b 00 02 31 37 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 33 | 1-9;2-4-3;..17.....9;1-1-2;2-2-3 |
12e20 | 3b 00 02 31 38 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 | ;..18.....19;1-1-3;2-2-3;....smi |
12e40 | 6c 65 73 00 24 00 00 00 42 72 63 31 63 63 28 42 72 29 63 28 63 32 63 31 43 28 3d 4f 29 63 31 63 | les.$...Brc1cc(Br)c(c2c1C(=O)c1c |
12e60 | 63 63 63 63 31 43 32 3d 4f 29 4e 00 02 69 6e 63 68 69 00 58 00 00 00 49 6e 43 68 49 3d 31 53 2f | cccc1C2=O)N..inchi.X...InChI=1S/ |
12e80 | 43 31 34 48 37 42 72 32 4e 4f 32 2f 63 31 35 2d 38 2d 35 2d 39 28 31 36 29 31 32 28 31 37 29 31 | C14H7Br2NO2/c15-8-5-9(16)12(17)1 |
12ea0 | 31 2d 31 30 28 38 29 31 33 28 31 38 29 36 2d 33 2d 31 2d 32 2d 34 2d 37 28 36 29 31 34 28 31 31 | 1-10(8)13(18)6-3-1-2-4-7(6)14(11 |
12ec0 | 29 31 39 2f 68 31 2d 35 48 2c 31 37 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 ed ef 5e 46 50 | )19/h1-5H,17H2..updated_at...^FP |
12ee0 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 eb ef 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at...^FP....default_ |
12f00 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 04 03 00 00 07 5f 69 64 00 56 | fingerprint_size..........._id.V |
12f20 | 16 1c 66 2b 72 ed 2b 40 00 00 62 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..f+r.+@..b.warnings.......finge |
12f40 | 72 70 72 69 6e 74 73 00 0b 02 00 00 04 4d 50 32 44 00 00 02 00 00 02 30 00 0f 00 00 00 38 3b 31 | rprints......MP2D......0.....8;1 |
12f60 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 | -1-3;2-2-3;..1.....3;1-2-3;1-1-8 |
12f80 | 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | ;2-1-2;2-2-3;..2.....3;1-2-3;2-2 |
12fa0 | 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | -3;2-1-8;..3.....3;1-2-3;2-2-3;. |
12fc0 | 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 35 00 21 | .4.....3;1-2-3;2-1-2;2-2-3;..5.! |
12fe0 | 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 32 2d 31 | ...3;1-1-2;1-2-3;2-1-2;2-3-3;2-1 |
13000 | 2d 39 3b 00 02 36 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 | -9;..6.'...3;1-1-2;1-2-3;2-1-2;2 |
13020 | 2d 33 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 37 00 15 00 00 00 32 3b 31 2d 32 2d 33 | -3-3;2-1-8;2-1-9;..7.....2;1-2-3 |
13040 | 3b 31 2d 31 2d 39 3b 32 2d 34 2d 33 3b 00 02 38 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 | ;1-1-9;2-4-3;..8.....9;1-1-2;2-2 |
13060 | 2d 33 3b 00 02 39 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 | -3;..9.!...3;1-1-2;1-2-3;2-1-2;2 |
13080 | 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | -3-3;2-1-9;..10.....3;1-2-3;2-1- |
130a0 | 32 3b 32 2d 32 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | 2;2-2-3;..11.....3;1-2-3;2-2-3;. |
130c0 | 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 15 00 00 00 33 | .12.....3;1-2-3;2-2-3;..13.....3 |
130e0 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 34 00 21 00 00 00 33 3b 31 2d | ;1-2-3;2-1-2;2-2-3;..14.!...3;1- |
13100 | 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 35 | 1-2;1-2-3;2-1-2;2-3-3;2-1-9;..15 |
13120 | 00 15 00 00 00 32 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 34 2d 33 3b 00 02 31 36 00 0f 00 | .....2;1-2-3;1-1-9;2-4-3;..16... |
13140 | 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1c 00 00 00 4f | ..9;1-1-2;2-2-3;....smiles.....O |
13160 | 63 31 63 63 63 63 32 63 31 43 28 3d 4f 29 63 31 63 63 63 63 63 31 43 32 3d 4f 00 02 69 6e 63 68 | c1cccc2c1C(=O)c1ccccc1C2=O..inch |
13180 | 69 00 4d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 38 4f 33 2f 63 31 35 2d 31 31 2d 37 2d | i.M...InChI=1S/C14H8O3/c15-11-7- |
131a0 | 33 2d 36 2d 31 30 2d 31 32 28 31 31 29 31 34 28 31 37 29 39 2d 35 2d 32 2d 31 2d 34 2d 38 28 39 | 3-6-10-12(11)14(17)9-5-2-1-4-8(9 |
131c0 | 29 31 33 28 31 30 29 31 36 2f 68 31 2d 37 2c 31 35 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 f3 | )13(10)16/h1-7,15H..updated_at.. |
131e0 | ef 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f2 ef 5e 46 50 01 00 00 10 64 65 66 61 | .^FP....created_at...^FP....defa |
13200 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 35 03 00 00 07 5f | ult_fingerprint_size......5...._ |
13220 | 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 63 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..f+r.+@..c.warnings.......f |
13240 | 69 6e 67 65 72 70 72 69 6e 74 73 00 34 02 00 00 04 4d 50 32 44 00 29 02 00 00 02 30 00 0f 00 00 | ingerprints.4....MP2D.)....0.... |
13260 | 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | .8;1-1-3;2-2-3;..1.....3;1-2-3;1 |
13280 | 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 | -1-8;2-1-2;2-2-3;..2.....3;1-2-3 |
132a0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | ;2-2-3;2-1-8;..3.....3;1-2-3;2-2 |
132c0 | 2d 33 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 | -3;..4.....3;1-2-3;2-1-2;2-2-3;. |
132e0 | 02 35 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 | .5.!...3;1-1-2;1-2-3;2-1-2;2-3-3 |
13300 | 3b 32 2d 31 2d 39 3b 00 02 36 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 | ;2-1-9;..6.'...3;1-1-2;1-2-3;2-1 |
13320 | 2d 32 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 37 00 15 00 00 00 32 3b 31 | -2;2-3-3;2-1-8;2-1-9;..7.....2;1 |
13340 | 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 34 2d 33 3b 00 02 38 00 0f 00 00 00 39 3b 31 2d 31 2d 32 | -2-3;1-1-9;2-4-3;..8.....9;1-1-2 |
13360 | 3b 32 2d 32 2d 33 3b 00 02 39 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 | ;2-2-3;..9.'...3;1-1-2;1-2-3;2-1 |
13380 | 2d 32 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 30 00 21 00 00 00 33 3b | -2;2-3-3;2-1-8;2-1-9;..10.!...3; |
133a0 | 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 | 1-1-2;1-2-3;2-1-2;2-3-3;2-1-9;.. |
133c0 | 31 31 00 15 00 00 00 32 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 34 2d 33 3b 00 02 31 32 00 | 11.....2;1-2-3;1-1-9;2-4-3;..12. |
133e0 | 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 | ....9;1-1-2;2-2-3;..13.....3;1-2 |
13400 | 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-1-2;2-2-3;..14.....3;1-2-3; |
13420 | 32 2d 32 2d 33 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | 2-2-3;..15.....3;1-2-3;2-2-3;2-1 |
13440 | 2d 38 3b 00 02 31 36 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b | -8;..16.....3;1-2-3;1-1-8;2-1-2; |
13460 | 32 2d 32 2d 33 3b 00 02 31 37 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 | 2-2-3;..17.....8;1-1-3;2-2-3;... |
13480 | 02 73 6d 69 6c 65 73 00 1f 00 00 00 4f 63 31 63 63 63 63 32 63 31 43 28 3d 4f 29 63 31 63 28 43 | .smiles.....Oc1cccc2c1C(=O)c1c(C |
134a0 | 32 3d 4f 29 63 63 63 63 31 4f 00 02 69 6e 63 68 69 00 52 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | 2=O)cccc1O..inchi.R...InChI=1S/C |
134c0 | 31 34 48 38 4f 34 2f 63 31 35 2d 39 2d 35 2d 31 2d 33 2d 37 2d 31 31 28 39 29 31 34 28 31 38 29 | 14H8O4/c15-9-5-1-3-7-11(9)14(18) |
134e0 | 31 32 2d 38 28 31 33 28 37 29 31 37 29 34 2d 32 2d 36 2d 31 30 28 31 32 29 31 36 2f 68 31 2d 36 | 12-8(13(7)17)4-2-6-10(12)16/h1-6 |
13500 | 2c 31 35 2d 31 36 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 fa ef 5e 46 50 01 00 00 09 63 72 65 | ,15-16H..updated_at...^FP....cre |
13520 | 61 74 65 64 5f 61 74 00 f8 ef 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at...^FP....default_fingerp |
13540 | 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 61 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b | rint_size......a...._id.V..f+r.+ |
13560 | 40 00 00 64 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 | @..d.warnings.......fingerprints |
13580 | 00 57 02 00 00 04 4d 50 32 44 00 4c 02 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d | .W....MP2D.L....0.....8;1-1-3;2- |
135a0 | 32 2d 33 3b 00 02 31 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b | 2-3;..1.!...3;1-2-3;1-1-8;2-1-2; |
135c0 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 2-2-3;2-1-8;..2.....3;1-2-3;1-1- |
135e0 | 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d | 8;2-2-3;2-1-8;..3.....8;1-1-3;2- |
13600 | 32 2d 33 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b | 2-3;..4.....3;1-2-3;2-2-3;2-2-8; |
13620 | 00 02 35 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d | ..5.....3;1-2-3;1-1-8;2-1-2;2-2- |
13640 | 33 3b 00 02 36 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d | 3;..6.'...3;1-1-2;1-2-3;2-1-2;2- |
13660 | 33 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 37 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b | 3-3;2-1-8;2-1-9;..7.'...3;1-1-2; |
13680 | 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 | 1-2-3;2-1-2;2-3-3;2-1-8;2-1-9;.. |
136a0 | 38 00 15 00 00 00 32 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 34 2d 33 3b 00 02 39 00 0f 00 | 8.....2;1-2-3;1-1-9;2-4-3;..9... |
136c0 | 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 30 00 21 00 00 00 33 3b 31 2d 31 2d 32 | ..9;1-1-2;2-2-3;..10.!...3;1-1-2 |
136e0 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 31 00 15 00 | ;1-2-3;2-1-2;2-3-3;2-1-9;..11... |
13700 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 32 00 0f 00 00 00 33 | ..3;1-2-3;2-1-2;2-2-3;..12.....3 |
13720 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;1-2-3;2-2-3;..13.....3;1-2-3;2- |
13740 | 32 2d 33 3b 00 02 31 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 | 2-3;..14.....3;1-2-3;2-1-2;2-2-3 |
13760 | 3b 00 02 31 35 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d | ;..15.!...3;1-1-2;1-2-3;2-1-2;2- |
13780 | 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 36 00 15 00 00 00 32 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 | 3-3;2-1-9;..16.....2;1-2-3;1-1-9 |
137a0 | 3b 32 2d 34 2d 33 3b 00 02 31 37 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 | ;2-4-3;..17.....9;1-1-2;2-2-3;.. |
137c0 | 31 38 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 | 18.....8;1-1-3;2-2-3;....smiles. |
137e0 | 22 00 00 00 4f 63 31 63 28 4f 29 63 63 28 63 32 63 31 43 28 3d 4f 29 63 31 63 63 63 63 63 31 43 | "...Oc1c(O)cc(c2c1C(=O)c1ccccc1C |
13800 | 32 3d 4f 29 4f 00 02 69 6e 63 68 69 00 58 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 38 4f | 2=O)O..inchi.X...InChI=1S/C14H8O |
13820 | 35 2f 63 31 35 2d 38 2d 35 2d 39 28 31 36 29 31 34 28 31 39 29 31 31 2d 31 30 28 38 29 31 32 28 | 5/c15-8-5-9(16)14(19)11-10(8)12( |
13840 | 31 37 29 36 2d 33 2d 31 2d 32 2d 34 2d 37 28 36 29 31 33 28 31 31 29 31 38 2f 68 31 2d 35 2c 31 | 17)6-3-1-2-4-7(6)13(11)18/h1-5,1 |
13860 | 35 2d 31 36 2c 31 39 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 01 f0 5e 46 50 01 00 00 09 63 72 | 5-16,19H..updated_at...^FP....cr |
13880 | 65 61 74 65 64 5f 61 74 00 00 f0 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at...^FP....default_finger |
138a0 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 4c 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed | print_size......L...._id.V..f+r. |
138c0 | 2b 40 00 00 65 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | +@..e.warnings.......fingerprint |
138e0 | 73 00 43 02 00 00 04 4d 50 32 44 00 38 02 00 00 02 30 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b | s.C....MP2D.8....0.....15;1-1-1; |
13900 | 32 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 33 | 2-1-1;2-2-15;..1.....1;1-1-1;1-3 |
13920 | 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 32 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b | -15;2-2-3;..2.....1;1-1-1;1-2-3; |
13940 | 32 2d 34 2d 33 3b 32 2d 33 2d 31 35 3b 00 02 33 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 | 2-4-3;2-3-15;..3.....3;1-1-1;1-2 |
13960 | 2d 33 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | -3;2-1-1;2-3-3;..4.....3;1-2-3;2 |
13980 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -1-1;2-2-3;..5.....3;1-2-3;2-2-3 |
139a0 | 3b 32 2d 31 2d 31 35 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 | ;2-1-15;..6.....3;1-2-3;1-1-15;2 |
139c0 | 2d 32 2d 33 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | -2-3;..7.....3;1-2-3;2-2-3;2-1-1 |
139e0 | 35 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 | 5;..8.....3;1-2-3;2-1-1;2-2-3;.. |
13a00 | 39 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 1b 00 00 00 33 3b | 9.....15;1-1-3;2-2-3;..10.....3; |
13a20 | 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 31 31 00 15 00 00 | 1-1-1;1-2-3;2-1-1;2-3-3;..11.... |
13a40 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 32 00 16 00 00 00 33 3b | .3;1-2-3;2-1-1;2-2-3;..12.....3; |
13a60 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 33 00 16 00 00 00 33 3b 31 2d | 1-2-3;2-2-3;2-1-15;..13.....3;1- |
13a80 | 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 32 2d | 2-3;1-1-15;2-2-3;..14.....3;1-2- |
13aa0 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | 3;2-2-3;2-1-15;..15.....3;1-2-3; |
13ac0 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 36 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d | 2-1-1;2-2-3;..16.....15;1-1-3;2- |
13ae0 | 32 2d 33 3b 00 02 31 37 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d | 2-3;..17.....15;1-1-1;2-1-1;2-2- |
13b00 | 31 35 3b 00 02 31 38 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 | 15;..18.....15;1-1-1;2-1-1;2-2-1 |
13b20 | 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 27 00 00 00 43 6c 43 28 43 28 63 31 63 63 63 28 63 63 31 | 5;....smiles.'...ClC(C(c1ccc(cc1 |
13b40 | 29 43 6c 29 63 31 63 63 63 28 63 63 31 29 43 6c 29 28 43 6c 29 43 6c 00 02 69 6e 63 68 69 00 52 | )Cl)c1ccc(cc1)Cl)(Cl)Cl..inchi.R |
13b60 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 39 43 6c 35 2f 63 31 35 2d 31 31 2d 35 2d 31 2d | ...InChI=1S/C14H9Cl5/c15-11-5-1- |
13b80 | 39 28 32 2d 36 2d 31 31 29 31 33 28 31 34 28 31 37 2c 31 38 29 31 39 29 31 30 2d 33 2d 37 2d 31 | 9(2-6-11)13(14(17,18)19)10-3-7-1 |
13ba0 | 32 28 31 36 29 38 2d 34 2d 31 30 2f 68 31 2d 38 2c 31 33 48 00 09 75 70 64 61 74 65 64 5f 61 74 | 2(16)8-4-10/h1-8,13H..updated_at |
13bc0 | 00 08 f0 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 07 f0 5e 46 50 01 00 00 10 64 65 | ...^FP....created_at...^FP....de |
13be0 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 0f 03 00 00 | fault_fingerprint_size.......... |
13c00 | 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 66 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V..f+r.+@..f.warnings...... |
13c20 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 0f 02 00 00 04 4d 50 32 44 00 04 02 00 00 02 30 00 10 | .fingerprints......MP2D......0.. |
13c40 | 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d | ...19;1-1-3;2-2-3;..1.....3;1-2- |
13c60 | 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-1-19;2-2-3;..2.....3;1-2-3;2 |
13c80 | 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | -2-3;2-1-19;..3.....3;1-2-3;2-1- |
13ca0 | 32 3b 32 2d 32 2d 33 3b 00 02 34 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d | 2;2-2-3;..4.!...3;1-1-2;1-2-3;2- |
13cc0 | 31 2d 32 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 35 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b | 1-2;2-3-3;2-1-9;..5.!...3;1-1-2; |
13ce0 | 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 36 00 1c 00 00 00 | 1-2-3;2-1-2;2-3-3;2-1-9;..6..... |
13d00 | 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 15 | 3;1-2-3;2-1-2;2-2-3;2-1-19;..7.. |
13d20 | 00 00 00 32 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 34 2d 33 3b 00 02 38 00 0f 00 00 00 39 | ...2;1-2-3;1-1-9;2-4-3;..8.....9 |
13d40 | 3b 31 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 39 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 | ;1-1-2;2-2-3;..9.!...3;1-1-2;1-2 |
13d60 | 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 30 00 21 00 00 00 33 3b | -3;2-1-2;2-3-3;2-1-9;..10.!...3; |
13d80 | 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 | 1-1-2;1-2-3;2-1-2;2-3-3;2-1-9;.. |
13da0 | 31 31 00 15 00 00 00 32 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 34 2d 33 3b 00 02 31 32 00 | 11.....2;1-2-3;1-1-9;2-4-3;..12. |
13dc0 | 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 | ....9;1-1-2;2-2-3;..13.....3;1-2 |
13de0 | 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-1-2;2-2-3;..14.....3;1-2-3; |
13e00 | 32 2d 32 2d 33 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | 2-2-3;..15.....3;1-2-3;2-2-3;..1 |
13e20 | 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d | 6.....3;1-2-3;2-1-2;2-2-3;....sm |
13e40 | 69 6c 65 73 00 20 00 00 00 4e 63 31 63 63 63 32 63 28 63 31 29 43 28 3d 4f 29 63 31 63 28 43 32 | iles.....Nc1ccc2c(c1)C(=O)c1c(C2 |
13e60 | 3d 4f 29 63 63 63 63 31 00 02 69 6e 63 68 69 00 50 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 | =O)cccc1..inchi.P...InChI=1S/C14 |
13e80 | 48 39 4e 4f 32 2f 63 31 35 2d 38 2d 35 2d 36 2d 31 31 2d 31 32 28 37 2d 38 29 31 34 28 31 37 29 | H9NO2/c15-8-5-6-11-12(7-8)14(17) |
13ea0 | 31 30 2d 34 2d 32 2d 31 2d 33 2d 39 28 31 30 29 31 33 28 31 31 29 31 36 2f 68 31 2d 37 48 2c 31 | 10-4-2-1-3-9(10)13(11)16/h1-7H,1 |
13ec0 | 35 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 0f f0 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 | 5H2..updated_at...^FP....created |
13ee0 | 5f 61 74 00 0d f0 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...^FP....default_fingerprint |
13f00 | 5f 73 69 7a 65 00 00 00 00 00 00 7f 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 67 | _size..........._id.V..f+r.+@..g |
13f20 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 65 02 00 | .warnings.......fingerprints.e.. |
13f40 | 00 04 4d 50 32 44 00 5a 02 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b | ..MP2D.Z....0.....9;1-1-2;2-1-1; |
13f60 | 32 2d 31 2d 32 38 3b 00 02 31 00 23 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 | 2-1-28;..1.#...2;1-1-1;1-1-9;1-1 |
13f80 | 2d 32 38 3b 32 2d 31 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 32 00 1d 00 00 00 31 3b 31 2d 31 2d 32 | -28;2-1-3;2-3-16;..2.....1;1-1-2 |
13fa0 | 3b 31 2d 33 2d 31 36 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 33 00 17 00 00 00 31 36 3b | ;1-3-16;2-1-9;2-1-28;..3.....16; |
13fc0 | 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 31 36 3b 00 02 34 00 17 00 00 00 31 36 3b 31 2d | 1-1-1;2-1-2;2-2-16;..4.....16;1- |
13fe0 | 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 31 36 3b 00 02 35 00 17 00 00 00 31 36 3b 31 2d 31 2d | 1-1;2-1-2;2-2-16;..5.....16;1-1- |
14000 | 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 31 36 3b 00 02 36 00 22 00 00 00 32 38 3b 31 2d 31 2d 32 3b | 1;2-1-2;2-2-16;..6."...28;1-1-2; |
14020 | 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 37 00 1c 00 00 00 | 1-1-3;2-1-1;2-2-3;2-1-9;..7..... |
14040 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 38 00 16 | 3;1-2-3;1-1-28;2-1-2;2-2-3;..8.. |
14060 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 39 00 0f 00 00 00 | ...3;1-2-3;2-2-3;2-1-28;..9..... |
14080 | 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 | 3;1-2-3;2-3-3;..10.....3;1-3-3;2 |
140a0 | 2d 31 2d 31 3b 32 2d 34 2d 33 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d | -1-1;2-4-3;..11.....3;1-1-1;1-2- |
140c0 | 33 3b 32 2d 34 2d 33 3b 00 02 31 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 | 3;2-4-3;..12.....3;1-2-3;2-1-1;2 |
140e0 | 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 0f 00 00 00 31 3b 31 2d 32 2d 33 3b 32 2d 34 | -2-3;2-1-28;..13.....1;1-2-3;2-4 |
14100 | 2d 33 3b 00 02 31 34 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b | -3;..14.....3;1-1-1;1-2-3;2-4-3; |
14120 | 00 02 31 35 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 31 2d 31 3b 32 2d 34 2d 33 3b 00 02 31 | ..15.....3;1-3-3;2-1-1;2-4-3;..1 |
14140 | 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 37 00 0f 00 00 00 33 3b 31 | 6.....3;1-2-3;2-3-3;..17.....3;1 |
14160 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -2-3;2-2-3;..18.....3;1-2-3;2-2- |
14180 | 33 3b 00 02 31 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | 3;..19.....3;1-2-3;2-1-1;2-2-3;. |
141a0 | 00 00 02 73 6d 69 6c 65 73 00 24 00 00 00 4f 3d 43 28 43 28 46 29 28 46 29 46 29 4e 63 31 63 63 | ...smiles.$...O=C(C(F)(F)F)Nc1cc |
141c0 | 63 32 63 28 63 31 29 43 63 31 63 32 63 63 63 63 31 00 02 69 6e 63 68 69 00 66 00 00 00 49 6e 43 | c2c(c1)Cc1c2cccc1..inchi.f...InC |
141e0 | 68 49 3d 31 53 2f 43 31 35 48 31 30 46 33 4e 4f 2f 63 31 36 2d 31 35 28 31 37 2c 31 38 29 31 34 | hI=1S/C15H10F3NO/c16-15(17,18)14 |
14200 | 28 32 30 29 31 39 2d 31 31 2d 35 2d 36 2d 31 33 2d 31 30 28 38 2d 31 31 29 37 2d 39 2d 33 2d 31 | (20)19-11-5-6-13-10(8-11)7-9-3-1 |
14220 | 2d 32 2d 34 2d 31 32 28 39 29 31 33 2f 68 31 2d 36 2c 38 48 2c 37 48 32 2c 28 48 2c 31 39 2c 32 | -2-4-12(9)13/h1-6,8H,7H2,(H,19,2 |
14240 | 30 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 15 f0 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | 0)..updated_at...^FP....created_ |
14260 | 61 74 00 14 f0 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at...^FP....default_fingerprint_ |
14280 | 73 69 7a 65 00 00 00 00 00 00 9a 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 68 04 | size..........._id.V..f+r.+@..h. |
142a0 | 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 7e 02 00 00 | warnings.......fingerprints.~... |
142c0 | 04 4d 50 32 44 00 73 02 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | .MP2D.s....0.....8;1-1-3;2-2-3;. |
142e0 | 02 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 00 02 32 00 15 | .1.....3;1-2-3;1-1-8;2-2-3;..2.. |
14300 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b 00 02 33 00 15 00 00 00 33 | ...3;1-2-3;2-2-3;2-2-8;..3.....3 |
14320 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 34 00 0f 00 00 00 38 3b 31 2d 31 | ;1-2-3;1-1-8;2-3-3;..4.....8;1-1 |
14340 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 1b 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 33 2d 33 3b 32 | -3;2-2-3;..5.....3;1-3-3;2-3-3;2 |
14360 | 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 | -1-8;2-2-9;..6.....3;1-2-3;1-1-9 |
14380 | 3b 32 2d 34 2d 33 3b 00 02 37 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | ;2-4-3;..7.....3;1-2-3;2-2-3;2-1 |
143a0 | 2d 38 3b 32 2d 31 2d 39 3b 00 02 38 00 0f 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 | -8;2-1-9;..8.....9;1-2-3;2-4-3;. |
143c0 | 02 39 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 34 2d 33 3b 32 2d 31 2d 38 | .9.....3;1-2-3;1-1-9;2-4-3;2-1-8 |
143e0 | 3b 00 02 31 30 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d | ;..10.....3;1-2-3;1-1-8;2-2-3;2- |
14400 | 32 2d 39 3b 00 02 31 31 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 33 2d 33 | 2-9;..11.....3;1-2-3;1-1-9;2-3-3 |
14420 | 3b 32 2d 31 2d 38 3b 00 02 31 32 00 0f 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 | ;2-1-8;..12.....9;1-1-3;2-2-3;.. |
14440 | 31 33 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 15 00 00 00 33 3b | 13.....8;1-1-3;2-2-3;..14.....3; |
14460 | 31 2d 33 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 | 1-3-3;2-3-3;2-1-9;..15.....3;1-2 |
14480 | 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | -3;2-3-3;..16.....3;1-2-3;2-2-3; |
144a0 | 32 2d 31 2d 38 3b 00 02 31 37 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 | 2-1-8;..17.....3;1-2-3;1-1-8;2-2 |
144c0 | 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 38 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b | -3;2-1-8;..18.....3;1-2-3;1-1-8; |
144e0 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 | 2-2-3;2-1-8;..19.....3;1-2-3;2-3 |
14500 | 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 30 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b | -3;2-1-8;..20.....8;1-1-3;2-2-3; |
14520 | 00 02 32 31 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 | ..21.....8;1-1-3;2-2-3;....smile |
14540 | 73 00 2a 00 00 00 4f 63 31 63 63 28 4f 29 63 32 63 28 63 31 29 6f 63 28 63 28 63 32 3d 4f 29 4f | s.*...Oc1cc(O)c2c(c1)oc(c(c2=O)O |
14560 | 29 63 31 63 63 63 28 63 28 63 31 29 4f 29 4f 00 02 69 6e 63 68 69 00 62 00 00 00 49 6e 43 68 49 | )c1ccc(c(c1)O)O..inchi.b...InChI |
14580 | 3d 31 53 2f 43 31 35 48 31 30 4f 37 2f 63 31 36 2d 37 2d 34 2d 31 30 28 31 39 29 31 32 2d 31 31 | =1S/C15H10O7/c16-7-4-10(19)12-11 |
145a0 | 28 35 2d 37 29 32 32 2d 31 35 28 31 34 28 32 31 29 31 33 28 31 32 29 32 30 29 36 2d 31 2d 32 2d | (5-7)22-15(14(21)13(12)20)6-1-2- |
145c0 | 38 28 31 37 29 39 28 31 38 29 33 2d 36 2f 68 31 2d 35 2c 31 36 2d 31 39 2c 32 31 48 00 09 75 70 | 8(17)9(18)3-6/h1-5,16-19,21H..up |
145e0 | 64 61 74 65 64 5f 61 74 00 1c f0 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 1a f0 5e | dated_at...^FP....created_at...^ |
14600 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
14620 | 00 00 00 00 3f 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 69 04 77 61 72 6e 69 6e | ....?...._id.V..f+r.+@..i.warnin |
14640 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 38 02 00 00 04 4d 50 32 44 00 | gs.......fingerprints.8....MP2D. |
14660 | 2d 02 00 00 02 30 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 00 15 00 00 | -....0.....9;1-1-2;2-2-3;..1.... |
14680 | 00 32 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 34 2d 33 3b 00 02 32 00 21 00 00 00 33 3b 31 | .2;1-2-3;1-1-9;2-4-3;..2.!...3;1 |
146a0 | 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 | -1-2;1-2-3;2-1-2;2-3-3;2-1-9;..3 |
146c0 | 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 00 0f 00 00 | .....3;1-2-3;2-1-2;2-2-3;..4.... |
146e0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | .3;1-2-3;2-2-3;..5.....3;1-2-3;2 |
14700 | 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 | -2-3;..6.....3;1-2-3;2-1-2;2-2-3 |
14720 | 3b 00 02 37 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 | ;..7.!...3;1-1-2;1-2-3;2-1-2;2-3 |
14740 | 2d 33 3b 32 2d 31 2d 39 3b 00 02 38 00 15 00 00 00 32 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 | -3;2-1-9;..8.....2;1-2-3;1-1-9;2 |
14760 | 2d 34 2d 33 3b 00 02 39 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 30 00 | -4-3;..9.....9;1-1-2;2-2-3;..10. |
14780 | 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 32 2d | (...3;1-1-2;1-2-3;2-1-2;2-3-3;2- |
147a0 | 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d | 1-9;2-1-19;..11.!...3;1-1-2;1-2- |
147c0 | 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 32 00 15 00 00 00 33 3b 31 | 3;2-1-2;2-3-3;2-1-9;..12.....3;1 |
147e0 | 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d | -2-3;2-1-2;2-2-3;..13.....3;1-2- |
14800 | 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 34 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 | 3;2-1-1;2-2-3;..14.....3;1-1-1;1 |
14820 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 35 00 22 00 00 00 33 3b 31 2d 32 | -2-3;2-2-3;2-1-19;..15."...3;1-2 |
14840 | 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 36 | -3;1-1-19;2-1-1;2-1-2;2-2-3;..16 |
14860 | 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 37 00 0f 00 00 00 31 3b 31 | .....19;1-1-3;2-2-3;..17.....1;1 |
14880 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1f 00 00 00 4f 3d 43 31 63 32 | -1-3;2-2-3;....smiles.....O=C1c2 |
148a0 | 63 63 63 63 63 32 43 28 3d 4f 29 63 32 63 31 63 63 63 28 63 32 4e 29 43 00 02 69 6e 63 68 69 00 | ccccc2C(=O)c2c1ccc(c2N)C..inchi. |
148c0 | 58 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 31 31 4e 4f 32 2f 63 31 2d 38 2d 36 2d 37 2d | X...InChI=1S/C15H11NO2/c1-8-6-7- |
148e0 | 31 31 2d 31 32 28 31 33 28 38 29 31 36 29 31 35 28 31 38 29 31 30 2d 35 2d 33 2d 32 2d 34 2d 39 | 11-12(13(8)16)15(18)10-5-3-2-4-9 |
14900 | 28 31 30 29 31 34 28 31 31 29 31 37 2f 68 32 2d 37 48 2c 31 36 48 32 2c 31 48 33 00 09 75 70 64 | (10)14(11)17/h2-7H,16H2,1H3..upd |
14920 | 61 74 65 64 5f 61 74 00 25 f0 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 21 f0 5e 46 | ated_at.%.^FP....created_at.!.^F |
14940 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
14960 | 00 00 00 2b 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 6a 04 77 61 72 6e 69 6e 67 | ...+...._id.V..f+r.+@..j.warning |
14980 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 1c 02 00 00 04 4d 50 32 44 00 11 | s.......fingerprints......MP2D.. |
149a0 | 02 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 | ....0.....1;1-1-2;2-1-6;2-1-9;.. |
149c0 | 31 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 33 3b | 1.....2;1-1-1;1-1-6;1-1-9;2-1-3; |
149e0 | 00 02 32 00 21 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | ..2.!...6;1-1-2;1-1-3;2-1-1;2-2- |
14a00 | 33 3b 32 2d 31 2d 39 3b 00 02 33 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d | 3;2-1-9;..3.....3;1-2-3;1-1-6;2- |
14a20 | 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | 1-2;2-2-3;..4.....3;1-2-3;2-2-3; |
14a40 | 32 2d 31 2d 36 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 36 00 | 2-1-6;..5.....3;1-2-3;2-3-3;..6. |
14a60 | 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 31 2d 32 3b 32 2d 34 2d 33 3b 00 02 37 00 1b 00 00 00 | ....3;1-3-3;2-1-2;2-4-3;..7..... |
14a80 | 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 39 3b 00 02 38 00 1b 00 | 3;1-1-2;1-2-3;2-4-3;2-1-9;..8... |
14aa0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 39 00 | ..3;1-2-3;2-1-2;2-2-3;2-1-6;..9. |
14ac0 | 15 00 00 00 32 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 34 2d 33 3b 00 02 31 30 00 0f 00 00 | ....2;1-2-3;1-1-9;2-4-3;..10.... |
14ae0 | 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 31 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b | .9;1-1-2;2-2-3;..11.....3;1-1-2; |
14b00 | 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 32 00 15 00 00 00 33 3b 31 2d 33 | 1-2-3;2-4-3;2-1-9;..12.....3;1-3 |
14b20 | 2d 33 3b 32 2d 31 2d 32 3b 32 2d 34 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-1-2;2-4-3;..13.....3;1-2-3; |
14b40 | 32 2d 33 2d 33 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | 2-3-3;..14.....3;1-2-3;2-2-3;..1 |
14b60 | 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 15 00 00 00 33 3b 31 | 5.....3;1-2-3;2-2-3;..16.....3;1 |
14b80 | 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 37 00 15 00 00 00 39 3b 31 2d 31 2d | -2-3;2-1-2;2-2-3;..17.....9;1-1- |
14ba0 | 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 21 00 00 00 43 43 28 | 2;2-1-1;2-1-6;....smiles.!...CC( |
14bc0 | 3d 4e 63 31 63 63 63 32 63 28 63 31 29 43 28 3d 4f 29 63 31 63 32 63 63 63 63 31 29 4f 00 02 69 | =Nc1ccc2c(c1)C(=O)c1c2cccc1)O..i |
14be0 | 6e 63 68 69 00 5e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 31 31 4e 4f 32 2f 63 31 2d 39 | nchi.^...InChI=1S/C15H11NO2/c1-9 |
14c00 | 28 31 37 29 31 36 2d 31 30 2d 36 2d 37 2d 31 32 2d 31 31 2d 34 2d 32 2d 33 2d 35 2d 31 33 28 31 | (17)16-10-6-7-12-11-4-2-3-5-13(1 |
14c20 | 31 29 31 35 28 31 38 29 31 34 28 31 32 29 38 2d 31 30 2f 68 32 2d 38 48 2c 31 48 33 2c 28 48 2c | 1)15(18)14(12)8-10/h2-8H,1H3,(H, |
14c40 | 31 36 2c 31 37 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 2d f0 5e 46 50 01 00 00 09 63 72 65 61 | 16,17)..updated_at.-.^FP....crea |
14c60 | 74 65 64 5f 61 74 00 2b f0 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at.+.^FP....default_fingerpr |
14c80 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 00 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 | int_size..........._id.V..f+r.+@ |
14ca0 | 00 00 6b 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 | ..k.warnings.......fingerprints. |
14cc0 | f3 01 00 00 04 4d 50 32 44 00 e8 01 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 | .....MP2D......0.....1;1-1-2;2-1 |
14ce0 | 2d 36 3b 32 2d 31 2d 39 3b 00 02 31 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 | -6;2-1-9;..1.....2;1-1-1;1-1-6;1 |
14d00 | 2d 31 2d 39 3b 32 2d 31 2d 33 3b 00 02 32 00 21 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 | -1-9;2-1-3;..2.!...6;1-1-2;1-1-3 |
14d20 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 1b 00 00 00 33 3b 31 2d 32 | ;2-1-1;2-2-3;2-1-9;..3.....3;1-2 |
14d40 | 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 00 15 00 00 00 33 3b 31 | -3;1-1-6;2-1-2;2-2-3;..4.....3;1 |
14d60 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | -2-3;2-2-3;2-1-6;..5.....3;1-2-3 |
14d80 | 3b 32 2d 33 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 31 2d 31 3b 32 2d 34 | ;2-3-3;..6.....3;1-3-3;2-1-1;2-4 |
14da0 | 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 | -3;..7.....3;1-1-1;1-2-3;2-4-3;. |
14dc0 | 02 38 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 | .8.....3;1-2-3;2-1-1;2-2-3;2-1-6 |
14de0 | 3b 00 02 39 00 0f 00 00 00 31 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 30 00 15 00 00 00 | ;..9.....1;1-2-3;2-4-3;..10..... |
14e00 | 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 31 00 15 00 00 00 33 3b 31 | 3;1-1-1;1-2-3;2-4-3;..11.....3;1 |
14e20 | 2d 33 2d 33 3b 32 2d 31 2d 31 3b 32 2d 34 2d 33 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d | -3-3;2-1-1;2-4-3;..12.....3;1-2- |
14e40 | 33 3b 32 2d 33 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | 3;2-3-3;..13.....3;1-2-3;2-2-3;. |
14e60 | 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 15 00 00 00 33 | .14.....3;1-2-3;2-2-3;..15.....3 |
14e80 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 36 00 15 00 00 00 39 3b 31 2d | ;1-2-3;2-1-1;2-2-3;..16.....9;1- |
14ea0 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 1d 00 00 00 43 | 1-2;2-1-1;2-1-6;....smiles.....C |
14ec0 | 43 28 3d 4e 63 31 63 63 63 32 63 28 63 31 29 43 63 31 63 32 63 63 63 63 31 29 4f 00 02 69 6e 63 | C(=Nc1ccc2c(c1)Cc1c2cccc1)O..inc |
14ee0 | 68 69 00 60 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 31 33 4e 4f 2f 63 31 2d 31 30 28 31 | hi.`...InChI=1S/C15H13NO/c1-10(1 |
14f00 | 37 29 31 36 2d 31 33 2d 36 2d 37 2d 31 35 2d 31 32 28 39 2d 31 33 29 38 2d 31 31 2d 34 2d 32 2d | 7)16-13-6-7-15-12(9-13)8-11-4-2- |
14f20 | 33 2d 35 2d 31 34 28 31 31 29 31 35 2f 68 32 2d 37 2c 39 48 2c 38 48 32 2c 31 48 33 2c 28 48 2c | 3-5-14(11)15/h2-7,9H,8H2,1H3,(H, |
14f40 | 31 36 2c 31 37 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 34 f0 5e 46 50 01 00 00 09 63 72 65 61 | 16,17)..updated_at.4.^FP....crea |
14f60 | 74 65 64 5f 61 74 00 32 f0 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at.2.^FP....default_fingerpr |
14f80 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 37 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 | int_size......7...._id.V..f+r.+@ |
14fa0 | 00 00 6c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 | ..l.warnings.......fingerprints. |
14fc0 | 2a 02 00 00 04 4d 50 32 44 00 1f 02 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 | *....MP2D......0.....1;1-1-2;2-1 |
14fe0 | 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b | -9;2-1-28;..1."...2;1-1-1;1-1-9; |
15000 | 31 2d 31 2d 32 38 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 00 16 00 00 00 39 3b 31 2d 31 | 1-1-28;2-1-3;2-1-8;..2.....9;1-1 |
15020 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 33 00 28 00 00 00 32 38 3b 31 2d 31 2d 32 | -2;2-1-1;2-1-28;..3.(...28;1-1-2 |
15040 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 | ;1-1-3;1-1-8;2-1-1;2-2-3;2-1-9;. |
15060 | 02 34 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d | .4."...3;1-2-3;1-1-28;2-1-2;2-2- |
15080 | 33 3b 32 2d 31 2d 38 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | 3;2-1-8;..5.....3;1-2-3;2-2-3;2- |
150a0 | 31 2d 32 38 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 37 00 15 | 1-28;..6.....3;1-2-3;2-3-3;..7.. |
150c0 | 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 31 2d 31 3b 32 2d 34 2d 33 3b 00 02 38 00 15 00 00 00 33 | ...3;1-3-3;2-1-1;2-4-3;..8.....3 |
150e0 | 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 39 00 1c 00 00 00 33 3b 31 2d 32 | ;1-1-1;1-2-3;2-4-3;..9.....3;1-2 |
15100 | 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 0f 00 00 00 31 | -3;2-1-1;2-2-3;2-1-28;..10.....1 |
15120 | 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d | ;1-2-3;2-4-3;..11.....3;1-1-1;1- |
15140 | 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 32 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 31 2d 31 | 2-3;2-4-3;..12.....3;1-3-3;2-1-1 |
15160 | 3b 32 2d 34 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 | ;2-4-3;..13.....3;1-2-3;2-3-3;.. |
15180 | 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 0f 00 00 00 33 3b | 14.....3;1-2-3;2-2-3;..15.....3; |
151a0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | 1-2-3;2-2-3;..16.....3;1-2-3;2-1 |
151c0 | 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 37 00 16 00 00 00 38 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 | -1;2-2-3;..17.....8;1-1-28;2-1-2 |
151e0 | 3b 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 20 00 00 00 43 43 28 3d 4f 29 4e 28 63 31 | ;2-1-3;....smiles.....CC(=O)N(c1 |
15200 | 63 63 63 32 63 28 63 31 29 43 63 31 63 32 63 63 63 63 31 29 4f 00 02 69 6e 63 68 69 00 5d 00 00 | ccc2c(c1)Cc1c2cccc1)O..inchi.].. |
15220 | 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 31 33 4e 4f 32 2f 63 31 2d 31 30 28 31 37 29 31 36 28 | .InChI=1S/C15H13NO2/c1-10(17)16( |
15240 | 31 38 29 31 33 2d 36 2d 37 2d 31 35 2d 31 32 28 39 2d 31 33 29 38 2d 31 31 2d 34 2d 32 2d 33 2d | 18)13-6-7-15-12(9-13)8-11-4-2-3- |
15260 | 35 2d 31 34 28 31 31 29 31 35 2f 68 32 2d 37 2c 39 2c 31 38 48 2c 38 48 32 2c 31 48 33 00 09 75 | 5-14(11)15/h2-7,9,18H,8H2,1H3..u |
15280 | 70 64 61 74 65 64 5f 61 74 00 3b f0 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 39 f0 | pdated_at.;.^FP....created_at.9. |
152a0 | 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | ^FP....default_fingerprint_size. |
152c0 | 00 00 00 00 00 a3 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 6d 04 77 61 72 6e 69 | .........._id.V..f+r.+@..m.warni |
152e0 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 86 02 00 00 04 4d 50 32 44 | ngs.......fingerprints......MP2D |
15300 | 00 7b 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 02 31 00 15 00 | .{....0.....1;1-1-2;2-2-2;..1... |
15320 | 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 32 2d 32 3b 00 02 32 00 1b 00 00 00 32 3b | ..2;1-1-1;1-2-2;2-2-2;..2.....2; |
15340 | 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 36 3b 00 02 33 00 22 00 00 00 | 1-2-2;2-1-1;2-2-2;2-1-6;..3."... |
15360 | 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 36 3b 32 2d 32 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 | 2;1-2-2;1-1-6;2-2-2;2-1-9;2-1-19 |
15380 | 3b 00 02 34 00 1c 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 32 3b 32 2d | ;..4.....6;1-1-2;1-1-19;2-2-2;2- |
153a0 | 31 2d 33 3b 00 02 35 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 | 1-3;..5.....19;1-1-3;1-1-6;2-1-2 |
153c0 | 3b 32 2d 32 2d 33 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d | ;2-2-3;..6.....3;1-2-3;1-1-19;2- |
153e0 | 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | 2-3;2-1-6;..7.....3;1-2-3;2-2-3; |
15400 | 32 2d 31 2d 31 39 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | 2-1-19;..8.....3;1-2-3;2-2-3;2-1 |
15420 | 2d 36 3b 00 02 39 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 | -6;..9.....3;1-2-3;1-1-6;2-1-2;2 |
15440 | 2d 32 2d 33 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | -2-3;..10.....3;1-2-3;2-2-3;2-1- |
15460 | 36 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b | 6;..11.....3;1-2-3;2-2-3;2-1-19; |
15480 | 00 02 31 32 00 21 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 | ..12.!...6;1-1-2;1-1-3;2-1-1;2-2 |
154a0 | 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 33 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b | -3;2-1-9;..13.....2;1-1-1;1-1-6; |
154c0 | 31 2d 31 2d 39 3b 32 2d 31 2d 33 3b 00 02 31 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 | 1-1-9;2-1-3;..14.....9;1-1-2;2-1 |
154e0 | 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 35 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b | -1;2-1-6;..15.....1;1-1-2;2-1-6; |
15500 | 32 2d 31 2d 39 3b 00 02 31 36 00 1b 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 39 3b 32 2d 32 | 2-1-9;..16.....2;1-2-2;1-1-9;2-2 |
15520 | 2d 32 3b 32 2d 31 2d 36 3b 00 02 31 37 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b | -2;2-1-6;..17.....9;1-1-2;2-2-2; |
15540 | 00 02 31 38 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 32 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 | ..18.....2;1-2-2;2-2-2;2-1-9;..1 |
15560 | 39 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 00 00 02 73 6d | 9.....2;1-2-2;2-1-1;2-2-2;....sm |
15580 | 69 6c 65 73 00 26 00 00 00 43 43 31 3d 43 43 28 3d 4e 4e 63 32 63 63 63 28 63 63 32 29 4e 3d 43 | iles.&...CC1=CC(=NNc2ccc(cc2)N=C |
155a0 | 28 4f 29 43 29 43 28 3d 4f 29 43 3d 43 31 00 02 69 6e 63 68 69 00 67 00 00 00 49 6e 43 68 49 3d | (O)C)C(=O)C=C1..inchi.g...InChI= |
155c0 | 31 53 2f 43 31 35 48 31 35 4e 33 4f 32 2f 63 31 2d 31 30 2d 33 2d 38 2d 31 35 28 32 30 29 31 34 | 1S/C15H15N3O2/c1-10-3-8-15(20)14 |
155e0 | 28 39 2d 31 30 29 31 38 2d 31 37 2d 31 33 2d 36 2d 34 2d 31 32 28 35 2d 37 2d 31 33 29 31 36 2d | (9-10)18-17-13-6-4-12(5-7-13)16- |
15600 | 31 31 28 32 29 31 39 2f 68 33 2d 39 2c 31 37 48 2c 31 2d 32 48 33 2c 28 48 2c 31 36 2c 31 39 29 | 11(2)19/h3-9,17H,1-2H3,(H,16,19) |
15620 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 42 f0 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.B.^FP....created_at |
15640 | 00 40 f0 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | .@.^FP....default_fingerprint_si |
15660 | 7a 65 00 00 00 00 00 00 23 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 6e 04 77 61 | ze......#...._id.V..f+r.+@..n.wa |
15680 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 22 02 00 00 04 4d | rnings.......fingerprints."....M |
156a0 | 50 32 44 00 17 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | P2D......0.....1;1-1-3;2-2-3;..1 |
156c0 | 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 15 00 00 | .....3;1-1-1;1-2-3;2-2-3;..2.... |
156e0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 0f 00 00 00 33 3b 31 | .3;1-2-3;2-1-1;2-2-3;..3.....3;1 |
15700 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -2-3;2-2-3;..4.....3;1-2-3;2-2-3 |
15720 | 3b 32 2d 31 2d 36 3b 00 02 35 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 32 | ;2-1-6;..5.....3;1-2-3;1-1-6;2-2 |
15740 | 2d 33 3b 32 2d 31 2d 36 3b 00 02 36 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 | -3;2-1-6;..6.....3;1-2-3;2-1-1;2 |
15760 | 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 37 00 15 00 00 00 36 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 | -2-3;2-1-6;..7.....6;1-1-3;1-1-6 |
15780 | 3b 32 2d 33 2d 33 3b 00 02 38 00 15 00 00 00 36 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 33 | ;2-3-3;..8.....6;1-1-3;1-1-6;2-3 |
157a0 | 2d 33 3b 00 02 39 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 32 2d 33 3b 32 | -3;..9.....3;1-2-3;1-1-6;2-2-3;2 |
157c0 | 2d 31 2d 36 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | -1-6;..10.....3;1-2-3;2-2-3;2-1- |
157e0 | 36 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b | 6;..11.....3;1-2-3;2-2-3;2-1-19; |
15800 | 00 02 31 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d | ..12.....3;1-2-3;1-1-19;2-2-1;2- |
15820 | 32 2d 33 3b 00 02 31 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | 2-3;..13.....3;1-2-3;2-2-3;2-1-1 |
15840 | 39 3b 00 02 31 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 | 9;..14.....3;1-2-3;2-2-3;2-1-6;. |
15860 | 02 31 35 00 16 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | .15.....19;1-2-1;1-1-3;2-2-3;..1 |
15880 | 36 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 37 00 | 6.....1;1-1-19;2-1-1;2-1-3;..17. |
158a0 | 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 | ....1;1-1-19;2-1-1;2-1-3;....smi |
158c0 | 6c 65 73 00 1e 00 00 00 43 63 31 63 63 63 63 28 63 31 29 4e 3d 4e 63 31 63 63 63 28 63 63 31 29 | les.....Cc1cccc(c1)N=Nc1ccc(cc1) |
158e0 | 4e 28 43 29 43 00 02 69 6e 63 68 69 00 53 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 31 37 | N(C)C..inchi.S...InChI=1S/C15H17 |
15900 | 4e 33 2f 63 31 2d 31 32 2d 35 2d 34 2d 36 2d 31 34 28 31 31 2d 31 32 29 31 37 2d 31 36 2d 31 33 | N3/c1-12-5-4-6-14(11-12)17-16-13 |
15920 | 2d 37 2d 39 2d 31 35 28 31 30 2d 38 2d 31 33 29 31 38 28 32 29 33 2f 68 34 2d 31 31 48 2c 31 2d | -7-9-15(10-8-13)18(2)3/h4-11H,1- |
15940 | 33 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 48 f0 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 | 3H3..updated_at.H.^FP....created |
15960 | 5f 61 74 00 47 f0 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at.G.^FP....default_fingerprint |
15980 | 5f 73 69 7a 65 00 00 00 00 00 00 e8 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 6f | _size..........._id.V..f+r.+@..o |
159a0 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c1 02 00 | .warnings.......fingerprints.... |
159c0 | 00 04 4d 50 32 44 00 b6 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b | ..MP2D......0.....1;1-1-1;2-1-8; |
159e0 | 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 00 02 32 00 | ..1.....1;1-1-1;1-1-8;2-1-1;..2. |
15a00 | 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d 31 2d | ....8;1-2-1;2-2-1;..3.....1;1-1- |
15a20 | 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 34 00 1b 00 00 00 31 3b 31 2d | 1;1-1-8;2-1-1;2-1-3;..4.....1;1- |
15a40 | 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 00 22 00 00 00 33 3b | 1-1;1-1-3;2-2-3;2-1-8;..5."...3; |
15a60 | 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 33 2d 31 31 3b 00 | 1-1-1;1-2-3;2-1-1;2-1-3;2-3-11;. |
15a80 | 02 36 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 34 2d | .6.#...3;1-2-3;1-1-11;2-1-1;2-4- |
15aa0 | 33 3b 32 2d 31 2d 31 33 3b 00 02 37 00 24 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 | 3;2-1-13;..7.$...11;1-2-3;1-1-13 |
15ac0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 31 3b 00 02 38 00 11 00 00 00 31 33 3b 31 | ;2-2-3;2-1-6;2-1-11;..8.....13;1 |
15ae0 | 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 39 00 24 00 00 00 33 3b 31 2d 31 2d 36 3b 31 2d 32 2d | -1-11;2-2-3;..9.$...3;1-1-6;1-2- |
15b00 | 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 02 31 30 00 10 00 00 00 | 11;2-2-3;2-1-11;2-1-13;..10..... |
15b20 | 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 31 00 24 00 00 00 31 31 3b 31 2d 32 2d 33 | 6;1-1-3;2-2-11;..11.$...11;1-2-3 |
15b40 | 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 32 2d 31 31 3b 00 02 31 32 00 | ;1-1-11;2-2-3;2-1-6;2-2-11;..12. |
15b60 | 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 32 | #...3;1-1-3;1-2-11;2-1-1;2-3-3;2 |
15b80 | 2d 31 2d 31 31 3b 00 02 31 33 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d | -1-11;..13.....11;1-2-3;2-1-3;2- |
15ba0 | 32 2d 31 31 3b 00 02 31 34 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 | 2-11;..14.....3;1-2-11;2-1-3;2-1 |
15bc0 | 2d 31 31 3b 00 02 31 35 00 1e 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 | -11;..15.....11;1-1-3;1-1-11;2-2 |
15be0 | 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 36 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 33 2d 33 | -3;2-1-11;..16.....3;1-3-3;2-3-3 |
15c00 | 3b 32 2d 31 2d 31 31 3b 00 02 31 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 | ;2-1-11;..17.....3;1-2-3;2-3-3;. |
15c20 | 02 31 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 39 00 0f 00 00 00 33 | .18.....3;1-2-3;2-2-3;..19.....3 |
15c40 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;1-2-3;2-2-3;..20.....3;1-2-3;2- |
15c60 | 32 2d 33 3b 00 02 32 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 00 00 02 73 | 2-3;..21.....3;1-2-3;2-3-3;....s |
15c80 | 6d 69 6c 65 73 00 24 00 00 00 43 43 4f 43 43 63 31 63 28 5b 6e 48 5d 63 28 3d 4e 29 6e 32 63 31 | miles.$...CCOCCc1c([nH]c(=N)n2c1 |
15ca0 | 6e 63 6e 32 29 63 31 63 63 63 63 63 31 00 02 69 6e 63 68 69 00 73 00 00 00 49 6e 43 68 49 3d 31 | ncn2)c1ccccc1..inchi.s...InChI=1 |
15cc0 | 53 2f 43 31 35 48 31 37 4e 35 4f 2f 63 31 2d 32 2d 32 31 2d 39 2d 38 2d 31 32 2d 31 33 28 31 31 | S/C15H17N5O/c1-2-21-9-8-12-13(11 |
15ce0 | 2d 36 2d 34 2d 33 2d 35 2d 37 2d 31 31 29 31 39 2d 31 35 28 31 36 29 32 30 2d 31 34 28 31 32 29 | -6-4-3-5-7-11)19-15(16)20-14(12) |
15d00 | 31 37 2d 31 30 2d 31 38 2d 32 30 2f 68 33 2d 37 2c 31 30 48 2c 32 2c 38 2d 39 48 32 2c 31 48 33 | 17-10-18-20/h3-7,10H,2,8-9H2,1H3 |
15d20 | 2c 28 48 32 2c 31 36 2c 31 39 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 50 f0 5e 46 50 01 00 00 | ,(H2,16,19)..updated_at.P.^FP... |
15d40 | 09 63 72 65 61 74 65 64 5f 61 74 00 4e f0 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.N.^FP....default_fin |
15d60 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 fa 02 00 00 07 5f 69 64 00 56 16 1c 66 | gerprint_size..........._id.V..f |
15d80 | 2b 72 ed 2b 40 00 00 70 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.+@..p.warnings.......fingerpr |
15da0 | 69 6e 74 73 00 f5 01 00 00 04 4d 50 32 44 00 ea 01 00 00 02 30 00 10 00 00 00 31 39 3b 31 2d 31 | ints......MP2D......0.....19;1-1 |
15dc0 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b | -3;2-2-3;..1.....3;1-2-3;1-1-19; |
15de0 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-1-1;2-2-3;..2.....3;1-2-3;2-2- |
15e00 | 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 | 3;2-1-19;..3.....3;1-2-3;2-1-1;2 |
15e20 | 2d 32 2d 33 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 | -2-3;..4.....3;1-1-1;1-2-3;2-3-3 |
15e40 | 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 | ;..5.....3;1-2-3;2-2-1;2-2-3;..6 |
15e60 | 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b | .....3;1-1-1;1-2-3;2-2-3;2-1-19; |
15e80 | 00 02 37 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 00 31 3b | ..7.....1;1-1-3;2-2-3;..8.....1; |
15ea0 | 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d | 1-2-3;2-4-3;..9.....3;1-1-1;1-2- |
15ec0 | 33 3b 32 2d 33 2d 33 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 | 3;2-3-3;..10.....3;1-2-3;2-1-1;2 |
15ee0 | 2d 32 2d 33 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | -2-3;..11.....3;1-2-3;2-2-3;2-1- |
15f00 | 31 39 3b 00 02 31 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 | 19;..12.....3;1-2-3;1-1-19;2-1-1 |
15f20 | 3b 32 2d 32 2d 33 3b 00 02 31 33 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-3;..13.....3;1-1-1;1-2-3;2- |
15f40 | 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-3;2-1-19;..14.....3;1-2-3;2-2- |
15f60 | 31 3b 32 2d 32 2d 33 3b 00 02 31 35 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | 1;2-2-3;..15.....1;1-1-3;2-2-3;. |
15f80 | 02 31 36 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 | .16.....19;1-1-3;2-2-3;....smile |
15fa0 | 73 00 1c 00 00 00 4e 63 31 63 63 63 28 63 63 31 43 29 43 63 31 63 63 63 28 63 28 63 31 29 43 29 | s.....Nc1ccc(cc1C)Cc1ccc(c(c1)C) |
15fc0 | 4e 00 02 69 6e 63 68 69 00 59 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 31 38 4e 32 2f 63 | N..inchi.Y...InChI=1S/C15H18N2/c |
15fe0 | 31 2d 31 30 2d 37 2d 31 32 28 33 2d 35 2d 31 34 28 31 30 29 31 36 29 39 2d 31 33 2d 34 2d 36 2d | 1-10-7-12(3-5-14(10)16)9-13-4-6- |
16000 | 31 35 28 31 37 29 31 31 28 32 29 38 2d 31 33 2f 68 33 2d 38 48 2c 39 2c 31 36 2d 31 37 48 32 2c | 15(17)11(2)8-13/h3-8H,9,16-17H2, |
16020 | 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 56 f0 5e 46 50 01 00 00 09 63 72 65 61 74 | 1-2H3..updated_at.V.^FP....creat |
16040 | 65 64 5f 61 74 00 55 f0 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at.U.^FP....default_fingerpri |
16060 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 97 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 | nt_size..........._id.V..f+r.+@. |
16080 | 00 71 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 86 | .q.warnings.......fingerprints.. |
160a0 | 02 00 00 04 4d 50 32 44 00 7b 02 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d | ....MP2D.{....0.....1;1-1-1;2-1- |
160c0 | 31 39 3b 00 02 31 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b | 19;..1.....1;1-1-1;1-1-19;2-1-1; |
160e0 | 32 2d 31 2d 33 3b 00 02 32 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 | 2-1-3;..2.....19;1-2-1;1-1-3;2-2 |
16100 | 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b | -1;2-2-3;..3.....3;1-2-3;1-1-19; |
16120 | 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-2-1;2-2-3;..4.....3;1-2-3;2-2- |
16140 | 33 3b 32 2d 31 2d 31 39 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 3;2-1-19;..5.....3;1-2-3;2-2-3;2 |
16160 | 2d 31 2d 36 3b 00 02 36 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 32 2d 33 | -1-6;..6.....3;1-2-3;1-1-6;2-2-3 |
16180 | 3b 32 2d 31 2d 36 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | ;2-1-6;..7.....3;1-2-3;2-2-3;2-1 |
161a0 | 2d 36 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b | -6;..8.....3;1-2-3;2-2-3;2-1-19; |
161c0 | 00 02 39 00 15 00 00 00 36 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 33 2d 33 3b 00 02 31 30 | ..9.....6;1-1-3;1-1-6;2-3-3;..10 |
161e0 | 00 15 00 00 00 36 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 33 2d 33 3b 00 02 31 31 00 1b 00 | .....6;1-1-3;1-1-6;2-3-3;..11... |
16200 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 32 | ..3;1-2-3;1-1-6;2-2-3;2-1-6;..12 |
16220 | 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 31 3b | .....3;1-2-3;2-1-3;2-1-6;2-1-11; |
16240 | 00 02 31 33 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d | ..13.....3;1-1-3;1-1-11;2-2-3;2- |
16260 | 31 2d 33 32 3b 00 02 31 34 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 33 32 3b 32 2d | 1-32;..14.....11;1-2-3;1-1-32;2- |
16280 | 32 2d 33 3b 00 02 31 35 00 11 00 00 00 33 32 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 | 2-3;..15.....32;1-1-11;2-2-3;..1 |
162a0 | 36 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 | 6.....3;1-1-3;1-1-11;2-2-3;2-1-3 |
162c0 | 32 3b 00 02 31 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 | 2;..17.....3;1-2-3;2-1-3;2-1-6;2 |
162e0 | 2d 31 2d 31 31 3b 00 02 31 38 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d | -1-11;..18.....1;1-1-1;1-1-19;2- |
16300 | 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 39 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 | 1-1;2-1-3;..19.....1;1-1-1;2-1-1 |
16320 | 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 21 00 00 00 43 43 4e 28 63 31 63 63 63 28 63 63 31 29 4e | 9;....smiles.!...CCN(c1ccc(cc1)N |
16340 | 3d 4e 63 31 63 63 6e 28 3d 4f 29 63 63 31 29 43 43 00 02 69 6e 63 68 69 00 60 00 00 00 49 6e 43 | =Nc1ccn(=O)cc1)CC..inchi.`...InC |
16360 | 68 49 3d 31 53 2f 43 31 35 48 31 38 4e 34 4f 2f 63 31 2d 33 2d 31 38 28 34 2d 32 29 31 35 2d 37 | hI=1S/C15H18N4O/c1-3-18(4-2)15-7 |
16380 | 2d 35 2d 31 33 28 36 2d 38 2d 31 35 29 31 36 2d 31 37 2d 31 34 2d 39 2d 31 31 2d 31 39 28 32 30 | -5-13(6-8-15)16-17-14-9-11-19(20 |
163a0 | 29 31 32 2d 31 30 2d 31 34 2f 68 35 2d 31 32 48 2c 33 2d 34 48 32 2c 31 2d 32 48 33 00 09 75 70 | )12-10-14/h5-12H,3-4H2,1-2H3..up |
163c0 | 64 61 74 65 64 5f 61 74 00 5d f0 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 5c f0 5e | dated_at.].^FP....created_at.\.^ |
163e0 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
16400 | 00 00 00 00 a6 04 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 72 04 77 61 72 6e 69 6e | ........._id.V..f+r.+@..r.warnin |
16420 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 62 03 00 00 04 4d 50 32 44 00 | gs.......fingerprints.b....MP2D. |
16440 | 57 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 00 02 31 00 16 00 00 | W....0.....1;1-1-8;2-1-1;..1.... |
16460 | 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 32 00 28 00 00 00 31 3b | .8;1-2-1;2-2-1;2-1-19;..2.(...1; |
16480 | 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 39 3b 32 2d 34 2d 31 3b 32 2d 32 2d 32 3b 32 | 1-2-1;1-1-8;1-1-19;2-4-1;2-2-2;2 |
164a0 | 2d 31 2d 35 3b 00 02 33 00 28 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 35 3b 32 2d 33 2d 31 | -1-5;..3.(...1;1-2-1;1-1-5;2-3-1 |
164c0 | 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 39 3b 00 02 34 00 0f 00 00 00 35 3b 31 2d | ;2-1-5;2-1-8;2-1-19;..4.....5;1- |
164e0 | 32 2d 31 3b 32 2d 34 2d 31 3b 00 02 35 00 22 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 35 3b | 2-1;2-4-1;..5."...1;1-2-1;1-1-5; |
16500 | 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 31 39 3b 00 02 36 00 22 00 00 00 31 3b 31 2d 31 | 2-2-1;2-1-5;2-1-19;..6."...1;1-1 |
16520 | 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 35 3b 00 02 37 00 | -1;1-1-19;2-2-1;2-1-2;2-1-5;..7. |
16540 | 22 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 32 2d 32 3b 32 | "...19;1-2-1;1-1-2;2-3-1;2-2-2;2 |
16560 | 2d 31 2d 38 3b 00 02 38 00 22 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 33 2d | -1-8;..8."...2;1-2-2;1-1-19;2-3- |
16580 | 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 39 3b 00 02 39 00 28 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d | 1;2-2-2;2-1-9;..9.(...2;1-1-1;1- |
165a0 | 32 2d 32 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 | 2-2;2-2-1;2-2-2;2-1-9;2-1-19;..1 |
165c0 | 30 00 2e 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b | 0.....1;1-2-1;1-1-2;2-1-1;2-2-2; |
165e0 | 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 1b 00 00 00 31 3b 31 2d | 2-1-8;2-1-9;2-1-19;..11.....1;1- |
16600 | 31 2d 31 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 32 00 21 00 00 00 39 | 1-1;1-1-9;2-1-1;2-2-2;..12.!...9 |
16620 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 | ;1-1-1;1-1-2;2-1-1;2-1-6;2-1-9;. |
16640 | 02 31 33 00 15 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 32 2d 39 3b 32 2d 31 2d 31 3b 00 02 31 34 | .13.....2;1-1-6;1-2-9;2-1-1;..14 |
16660 | 00 0f 00 00 00 36 3b 31 2d 31 2d 32 3b 32 2d 32 2d 39 3b 00 02 31 35 00 15 00 00 00 39 3b 31 2d | .....6;1-1-2;2-2-9;..15.....9;1- |
16680 | 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 31 36 00 22 00 00 00 32 3b 31 2d 32 2d 32 | 1-2;2-1-6;2-1-9;..16."...2;1-2-2 |
166a0 | 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 31 37 00 0f | ;1-1-9;2-1-1;2-2-2;2-1-19;..17.. |
166c0 | 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 02 31 38 00 22 00 00 00 32 3b 31 2d 32 2d | ...9;1-1-2;2-2-2;..18."...2;1-2- |
166e0 | 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 39 00 | 2;1-1-19;2-1-1;2-2-2;2-1-9;..19. |
16700 | 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 32 2d 32 3b 32 2d 31 2d 39 3b 32 2d | "...2;1-1-1;1-2-2;2-2-2;2-1-9;2- |
16720 | 31 2d 31 39 3b 00 02 32 30 00 22 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 39 3b 32 2d 31 2d | 1-19;..20."...2;1-2-2;1-1-9;2-1- |
16740 | 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 32 31 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b | 1;2-2-2;2-1-19;..21.....9;1-1-2; |
16760 | 32 2d 32 2d 32 3b 00 02 32 32 00 0f 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 02 32 | 2-2-2;..22.....1;1-1-2;2-2-2;..2 |
16780 | 33 00 10 00 00 00 31 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 | 3.....19;1-1-2;2-2-2;....smiles. |
167a0 | 30 00 00 00 43 4f 43 31 32 43 33 4e 43 33 43 4e 32 43 32 3d 43 28 43 31 43 4f 43 28 3d 4e 29 4f | 0...COC12C3NC3CN2C2=C(C1COC(=N)O |
167c0 | 29 43 28 3d 4f 29 43 28 3d 43 28 43 32 3d 4f 29 43 29 4e 00 02 69 6e 63 68 69 00 84 00 00 00 49 | )C(=O)C(=C(C2=O)C)N..inchi.....I |
167e0 | 6e 43 68 49 3d 31 53 2f 43 31 35 48 31 38 4e 34 4f 35 2f 63 31 2d 35 2d 39 28 31 36 29 31 32 28 | nChI=1S/C15H18N4O5/c1-5-9(16)12( |
16800 | 32 31 29 38 2d 36 28 34 2d 32 34 2d 31 34 28 31 37 29 32 32 29 31 35 28 32 33 2d 32 29 31 33 2d | 21)8-6(4-24-14(17)22)15(23-2)13- |
16820 | 37 28 31 38 2d 31 33 29 33 2d 31 39 28 31 35 29 31 30 28 38 29 31 31 28 35 29 32 30 2f 68 36 2d | 7(18-13)3-19(15)10(8)11(5)20/h6- |
16840 | 37 2c 31 33 2c 31 38 48 2c 33 2d 34 2c 31 36 48 32 2c 31 2d 32 48 33 2c 28 48 32 2c 31 37 2c 32 | 7,13,18H,3-4,16H2,1-2H3,(H2,17,2 |
16860 | 32 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 65 f0 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | 2)..updated_at.e.^FP....created_ |
16880 | 61 74 00 63 f0 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at.c.^FP....default_fingerprint_ |
168a0 | 73 69 7a 65 00 00 00 00 00 00 42 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 73 04 | size......B...._id.V..f+r.+@..s. |
168c0 | 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 2e 02 00 00 | warnings.......fingerprints..... |
168e0 | 04 4d 50 32 44 00 23 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | .MP2D.#....0.....1;1-1-3;2-2-3;. |
16900 | 02 31 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 15 | .1.....3;1-1-1;1-2-3;2-2-3;..2.. |
16920 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 15 00 00 00 33 | ...3;1-2-3;2-1-1;2-2-3;..3.....3 |
16940 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 1b 00 00 00 33 3b 31 2d 31 | ;1-2-3;2-1-1;2-2-3;..4.....3;1-1 |
16960 | 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 00 1b 00 00 00 33 3b 31 | -1;1-2-3;2-2-3;2-1-8;..5.....3;1 |
16980 | 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 1b 00 00 00 33 | -2-3;1-1-8;2-2-1;2-2-3;..6.....3 |
169a0 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 1b 00 00 | ;1-2-3;2-1-1;2-2-3;2-1-8;..7.... |
169c0 | 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 00 1b | .8;1-1-1;1-1-3;2-1-1;2-2-3;..8.. |
169e0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 39 | ...1;1-1-1;1-1-8;2-1-1;2-1-3;..9 |
16a00 | 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 30 00 15 00 | .....1;1-2-1;2-1-1;2-1-8;..10... |
16a20 | 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 31 00 1c 00 00 00 31 | ..1;1-2-1;2-3-1;2-1-2;..11.....1 |
16a40 | 3b 31 2d 33 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 32 3b 00 02 31 32 00 16 | ;1-3-1;1-1-2;2-1-1;2-2-32;..12.. |
16a60 | 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 33 2d 31 3b 00 02 31 33 00 17 00 00 | ...2;1-1-1;1-2-32;2-3-1;..13.... |
16a80 | 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 31 34 00 17 00 00 00 | .32;1-1-2;2-1-1;2-1-32;..14..... |
16aa0 | 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 31 35 00 15 00 00 00 31 | 32;1-1-2;2-1-1;2-1-32;..15.....1 |
16ac0 | 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 36 00 15 00 00 00 31 3b 31 2d | ;1-1-1;2-2-1;2-1-2;..16.....1;1- |
16ae0 | 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 37 00 0f 00 00 00 31 3b 31 2d 31 2d 33 | 1-1;2-2-1;2-1-2;..17.....1;1-1-3 |
16b00 | 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 20 00 00 00 43 63 31 63 63 63 28 63 28 63 | ;2-2-3;....smiles.....Cc1ccc(c(c |
16b20 | 31 29 4f 43 43 43 43 28 43 28 3d 4f 29 4f 29 28 43 29 43 29 43 00 02 69 6e 63 68 69 00 64 00 00 | 1)OCCCC(C(=O)O)(C)C)C..inchi.d.. |
16b40 | 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 32 32 4f 33 2f 63 31 2d 31 31 2d 36 2d 37 2d 31 32 28 | .InChI=1S/C15H22O3/c1-11-6-7-12( |
16b60 | 32 29 31 33 28 31 30 2d 31 31 29 31 38 2d 39 2d 35 2d 38 2d 31 35 28 33 2c 34 29 31 34 28 31 36 | 2)13(10-11)18-9-5-8-15(3,4)14(16 |
16b80 | 29 31 37 2f 68 36 2d 37 2c 31 30 48 2c 35 2c 38 2d 39 48 32 2c 31 2d 34 48 33 2c 28 48 2c 31 36 | )17/h6-7,10H,5,8-9H2,1-4H3,(H,16 |
16ba0 | 2c 31 37 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 6c f0 5e 46 50 01 00 00 09 63 72 65 61 74 65 | ,17)..updated_at.l.^FP....create |
16bc0 | 64 5f 61 74 00 6a f0 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.j.^FP....default_fingerprin |
16be0 | 74 5f 73 69 7a 65 00 00 00 00 00 00 bf 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 | t_size..........._id.V..f+r.+@.. |
16c00 | 74 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a6 02 | t.warnings.......fingerprints... |
16c20 | 00 00 04 4d 50 32 44 00 9b 02 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d | ...MP2D......0.....15;1-1-1;2-1- |
16c40 | 31 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 38 3b 00 | 1;..1.....1;1-1-1;1-1-15;2-1-8;. |
16c60 | 02 32 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d | .2.....1;1-1-1;1-1-8;2-1-15;2-1- |
16c80 | 32 39 3b 00 02 33 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 39 3b 32 2d 31 2d 31 3b | 29;..3."...8;1-1-1;1-1-29;2-1-1; |
16ca0 | 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 34 00 16 00 00 00 32 39 3b 31 2d 32 2d 38 3b 31 2d 31 | 2-1-8;2-1-9;..4.....29;1-2-8;1-1 |
16cc0 | 2d 39 3b 32 2d 32 2d 31 3b 00 02 35 00 10 00 00 00 39 3b 31 2d 31 2d 32 39 3b 32 2d 32 2d 38 3b | -9;2-2-1;..5.....9;1-1-29;2-2-8; |
16ce0 | 00 02 36 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 39 3b 32 2d 32 2d 31 3b 32 2d 31 | ..6."...8;1-1-1;1-1-29;2-2-1;2-1 |
16d00 | 2d 38 3b 32 2d 31 2d 39 3b 00 02 37 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 | -8;2-1-9;..7.....1;1-2-1;1-1-8;2 |
16d20 | 2d 31 2d 38 3b 32 2d 31 2d 32 39 3b 00 02 38 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -1-8;2-1-29;..8.!...1;1-1-1;1-1- |
16d40 | 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 1b 00 00 00 38 3b 31 2d | 8;2-1-1;2-1-3;2-1-8;..9.....8;1- |
16d60 | 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 1b 00 00 00 33 | 1-1;1-1-3;2-1-1;2-2-3;..10.....3 |
16d80 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 15 00 | ;1-2-3;1-1-8;2-1-1;2-2-3;..11... |
16da0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 32 00 15 00 00 00 33 | ..3;1-2-3;2-2-3;2-1-8;..12.....3 |
16dc0 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 33 00 1b 00 00 00 33 3b 31 2d | ;1-2-3;2-1-1;2-2-3;..13.....3;1- |
16de0 | 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 34 00 15 00 00 00 33 | 1-1;1-2-3;2-3-1;2-2-3;..14.....3 |
16e00 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d | ;1-2-3;2-1-1;2-2-3;..15.....3;1- |
16e20 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 36 00 15 00 00 00 31 3b 31 2d 33 2d 31 | 2-3;2-2-3;2-1-8;..16.....1;1-3-1 |
16e40 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 37 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d | ;1-1-3;2-2-3;..17.....1;1-1-1;2- |
16e60 | 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 38 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 | 2-1;2-1-3;..18.....1;1-1-1;2-2-1 |
16e80 | 3b 32 2d 31 2d 33 3b 00 02 31 39 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d | ;2-1-3;..19.....1;1-1-1;2-2-1;2- |
16ea0 | 31 2d 33 3b 00 02 32 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 | 1-3;..20.....1;1-1-1;2-1-1;2-1-8 |
16ec0 | 3b 00 00 00 02 73 6d 69 6c 65 73 00 24 00 00 00 43 6c 43 43 4f 53 28 3d 4f 29 4f 43 28 43 4f 63 | ;....smiles.$...ClCCOS(=O)OC(COc |
16ee0 | 31 63 63 63 28 63 63 31 29 43 28 43 29 28 43 29 43 29 43 00 02 69 6e 63 68 69 00 65 00 00 00 49 | 1ccc(cc1)C(C)(C)C)C..inchi.e...I |
16f00 | 6e 43 68 49 3d 31 53 2f 43 31 35 48 32 33 43 6c 4f 34 53 2f 63 31 2d 31 32 28 32 30 2d 32 31 28 | nChI=1S/C15H23ClO4S/c1-12(20-21( |
16f20 | 31 37 29 31 39 2d 31 30 2d 39 2d 31 36 29 31 31 2d 31 38 2d 31 34 2d 37 2d 35 2d 31 33 28 36 2d | 17)19-10-9-16)11-18-14-7-5-13(6- |
16f40 | 38 2d 31 34 29 31 35 28 32 2c 33 29 34 2f 68 35 2d 38 2c 31 32 48 2c 39 2d 31 31 48 32 2c 31 2d | 8-14)15(2,3)4/h5-8,12H,9-11H2,1- |
16f60 | 34 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 73 f0 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 | 4H3..updated_at.s.^FP....created |
16f80 | 5f 61 74 00 71 f0 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at.q.^FP....default_fingerprint |
16fa0 | 5f 73 69 7a 65 00 00 00 00 00 00 c9 02 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 75 | _size..........._id.V..f+r.+@..u |
16fc0 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 d4 01 00 | .warnings.......fingerprints.... |
16fe0 | 00 04 4d 50 32 44 00 c9 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b | ..MP2D......0.....1;1-1-1;2-1-1; |
17000 | 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 00 0f 00 00 00 31 3b | ..1.....1;1-2-1;2-1-1;..2.....1; |
17020 | 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d | 1-2-1;2-2-1;..3.....1;1-2-1;2-2- |
17040 | 31 3b 00 02 34 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 35 00 0f 00 00 00 | 1;..4.....1;1-2-1;2-2-1;..5..... |
17060 | 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 36 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d | 1;1-2-1;2-2-1;..6.....1;1-2-1;2- |
17080 | 32 2d 31 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 38 00 0f 00 | 2-1;..7.....1;1-2-1;2-2-1;..8... |
170a0 | 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 39 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b | ..1;1-2-1;2-2-1;..9.....1;1-2-1; |
170c0 | 32 2d 32 2d 31 3b 00 02 31 30 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 | 2-2-1;..10.....1;1-2-1;2-2-1;..1 |
170e0 | 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 32 00 16 00 00 00 31 3b 31 | 1.....1;1-2-1;2-2-1;..12.....1;1 |
17100 | 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 1c 00 00 00 31 3b 31 2d 31 | -2-1;2-1-1;2-1-19;..13.....1;1-1 |
17120 | 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 34 00 1c 00 00 00 31 | -1;1-1-19;2-2-1;2-1-6;..14.....1 |
17140 | 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 31 35 00 16 | 9;1-2-1;1-1-6;2-1-1;2-1-9;..15.. |
17160 | 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 31 36 00 10 00 00 | ...6;1-1-9;1-1-19;2-2-1;..16.... |
17180 | 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 37 00 16 00 00 00 31 3b 31 2d 31 2d 31 | .9;1-1-6;2-1-19;..17.....1;1-1-1 |
171a0 | 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 16 00 00 00 43 43 43 | 9;2-1-1;2-1-6;....smiles.....CCC |
171c0 | 43 43 43 43 43 43 43 43 43 43 43 4e 28 4e 3d 4f 29 43 00 02 69 6e 63 68 69 00 4f 00 00 00 49 6e | CCCCCCCCCCCN(N=O)C..inchi.O...In |
171e0 | 43 68 49 3d 31 53 2f 43 31 35 48 33 32 4e 32 4f 2f 63 31 2d 33 2d 34 2d 35 2d 36 2d 37 2d 38 2d | ChI=1S/C15H32N2O/c1-3-4-5-6-7-8- |
17200 | 39 2d 31 30 2d 31 31 2d 31 32 2d 31 33 2d 31 34 2d 31 35 2d 31 37 28 32 29 31 36 2d 31 38 2f 68 | 9-10-11-12-13-14-15-17(2)16-18/h |
17220 | 33 2d 31 35 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 79 f0 5e 46 50 01 00 | 3-15H2,1-2H3..updated_at.y.^FP.. |
17240 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 77 f0 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at.w.^FP....default_fi |
17260 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 8d 03 00 00 07 5f 69 64 00 56 16 1c | ngerprint_size..........._id.V.. |
17280 | 66 2b 72 ed 2b 40 00 00 76 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | f+r.+@..v.warnings.......fingerp |
172a0 | 72 69 6e 74 73 00 80 02 00 00 04 4d 50 32 44 00 75 02 00 00 02 30 00 0f 00 00 00 39 3b 31 2d 31 | rints......MP2D.u....0.....9;1-1 |
172c0 | 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 00 15 00 00 00 32 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 | -2;2-2-3;..1.....2;1-2-3;1-1-9;2 |
172e0 | 2d 34 2d 33 3b 00 02 32 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 | -4-3;..2.!...3;1-1-2;1-2-3;2-1-2 |
17300 | 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | ;2-3-3;2-1-9;..3.....3;1-2-3;2-1 |
17320 | 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | -2;2-2-3;..4.....3;1-2-3;2-2-3;. |
17340 | 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 | .5.....3;1-2-3;2-2-3;..6.....3;1 |
17360 | 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 21 00 00 00 33 3b 31 2d 31 2d 32 | -2-3;2-1-2;2-2-3;..7.!...3;1-1-2 |
17380 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 38 00 15 00 00 | ;1-2-3;2-1-2;2-3-3;2-1-9;..8.... |
173a0 | 00 32 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 34 2d 33 3b 00 02 39 00 0f 00 00 00 39 3b 31 | .2;1-2-3;1-1-9;2-4-3;..9.....9;1 |
173c0 | 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 30 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d | -1-2;2-2-3;..10.(...3;1-1-2;1-2- |
173e0 | 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 | 3;2-1-2;2-3-3;2-1-9;2-1-19;..11. |
17400 | 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 32 2d | !...3;1-1-2;1-2-3;2-1-2;2-3-3;2- |
17420 | 31 2d 39 3b 00 02 31 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 | 1-9;..12.....3;1-2-3;2-1-2;2-2-3 |
17440 | 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 | ;..13.....3;1-2-3;2-1-1;2-2-3;.. |
17460 | 31 34 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | 14.....3;1-1-1;1-2-3;2-2-3;2-1-1 |
17480 | 39 3b 00 02 31 35 00 28 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b | 9;..15.(...3;1-2-3;1-1-19;2-1-1; |
174a0 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 36 00 16 00 00 00 31 39 3b 31 2d | 2-1-2;2-2-3;2-2-9;..16.....19;1- |
174c0 | 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 31 37 00 16 00 00 00 39 3b 31 2d 31 2d 31 | 1-3;1-2-9;2-2-3;..17.....9;1-1-1 |
174e0 | 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 38 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b | 9;2-1-3;2-1-9;..18.....9;1-1-19; |
17500 | 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 39 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 | 2-1-3;2-1-9;..19.....1;1-1-3;2-2 |
17520 | 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 25 00 00 00 4f 3d 43 31 63 32 63 63 63 63 63 32 43 28 | -3;....smiles.%...O=C1c2ccccc2C( |
17540 | 3d 4f 29 63 32 63 31 63 63 63 28 63 32 4e 28 3d 4f 29 3d 4f 29 43 00 02 69 6e 63 68 69 00 58 00 | =O)c2c1ccc(c2N(=O)=O)C..inchi.X. |
17560 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 39 4e 4f 34 2f 63 31 2d 38 2d 36 2d 37 2d 31 31 2d | ..InChI=1S/C15H9NO4/c1-8-6-7-11- |
17580 | 31 32 28 31 33 28 38 29 31 36 28 31 39 29 32 30 29 31 35 28 31 38 29 31 30 2d 35 2d 33 2d 32 2d | 12(13(8)16(19)20)15(18)10-5-3-2- |
175a0 | 34 2d 39 28 31 30 29 31 34 28 31 31 29 31 37 2f 68 32 2d 37 48 2c 31 48 33 00 09 75 70 64 61 74 | 4-9(10)14(11)17/h2-7H,1H3..updat |
175c0 | 65 64 5f 61 74 00 80 f0 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 7f f0 5e 46 50 01 | ed_at...^FP....created_at...^FP. |
175e0 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
17600 | 00 83 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 77 04 77 61 72 6e 69 6e 67 73 00 | ......_id.V..f+r.+@..w.warnings. |
17620 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 6c 02 00 00 04 4d 50 32 44 00 61 02 00 | ......fingerprints.l....MP2D.a.. |
17640 | 00 02 30 00 0f 00 00 00 34 3b 31 2d 31 2d 34 3b 32 2d 31 2d 31 3b 00 02 31 00 1b 00 00 00 34 3b | ..0.....4;1-1-4;2-1-1;..1.....4; |
17660 | 31 2d 31 2d 31 3b 31 2d 31 2d 34 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 00 27 00 00 00 | 1-1-1;1-1-4;2-2-3;2-1-9;..2.'... |
17680 | 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 34 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 34 2d 33 3b | 1;1-2-3;1-1-4;1-1-9;2-1-2;2-4-3; |
176a0 | 32 2d 31 2d 34 3b 00 02 33 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d | 2-1-4;..3.!...3;1-1-1;1-2-3;2-3- |
176c0 | 33 3b 32 2d 31 2d 34 3b 32 2d 31 2d 39 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 3;2-1-4;2-1-9;..4.....3;1-2-3;2- |
176e0 | 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | 1-1;2-2-3;..5.....3;1-2-3;2-2-3; |
17700 | 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 0f 00 00 00 33 3b | ..6.....3;1-2-3;2-2-3;..7.....3; |
17720 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 1-2-3;2-2-3;..8.....3;1-2-3;2-1- |
17740 | 31 3b 32 2d 32 2d 33 3b 00 02 39 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d | 1;2-2-3;..9.!...3;1-1-1;1-2-3;2- |
17760 | 33 2d 33 3b 32 2d 31 2d 34 3b 32 2d 31 2d 39 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 | 3-3;2-1-4;2-1-9;..10.....3;1-2-3 |
17780 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-1-1;2-2-3;..11.....3;1-2-3;2- |
177a0 | 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 2-3;2-1-15;..12.....3;1-2-3;1-1- |
177c0 | 31 35 3b 32 2d 32 2d 33 3b 00 02 31 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | 15;2-2-3;..13.....3;1-2-3;2-2-3; |
177e0 | 32 2d 31 2d 31 35 3b 00 02 31 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | 2-1-15;..14.....3;1-2-3;2-1-1;2- |
17800 | 32 2d 33 3b 00 02 31 35 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 | 2-3;..15.....15;1-1-3;2-2-3;..16 |
17820 | 00 27 00 00 00 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 34 3b 32 | .'...9;1-1-1;1-1-2;2-2-3;2-1-4;2 |
17840 | 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 31 37 00 15 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 32 2d | -1-6;2-1-9;..17.....2;1-1-6;1-2- |
17860 | 39 3b 32 2d 31 2d 31 3b 00 02 31 38 00 0f 00 00 00 36 3b 31 2d 31 2d 32 3b 32 2d 32 2d 39 3b 00 | 9;2-1-1;..18.....6;1-1-2;2-2-9;. |
17880 | 02 31 39 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 00 00 02 | .19.....9;1-1-2;2-1-6;2-1-9;.... |
178a0 | 73 6d 69 6c 65 73 00 24 00 00 00 43 23 43 43 28 63 31 63 63 63 63 63 31 29 28 63 31 63 63 63 28 | smiles.$...C#CC(c1ccccc1)(c1ccc( |
178c0 | 63 63 31 29 43 6c 29 4f 43 28 3d 4e 29 4f 00 02 69 6e 63 68 69 00 63 00 00 00 49 6e 43 68 49 3d | cc1)Cl)OC(=N)O..inchi.c...InChI= |
178e0 | 31 53 2f 43 31 36 48 31 32 43 6c 4e 4f 32 2f 63 31 2d 32 2d 31 36 28 32 30 2d 31 35 28 31 38 29 | 1S/C16H12ClNO2/c1-2-16(20-15(18) |
17900 | 31 39 2c 31 32 2d 36 2d 34 2d 33 2d 35 2d 37 2d 31 32 29 31 33 2d 38 2d 31 30 2d 31 34 28 31 37 | 19,12-6-4-3-5-7-12)13-8-10-14(17 |
17920 | 29 31 31 2d 39 2d 31 33 2f 68 31 2c 33 2d 31 31 48 2c 28 48 32 2c 31 38 2c 31 39 29 00 09 75 70 | )11-9-13/h1,3-11H,(H2,18,19)..up |
17940 | 64 61 74 65 64 5f 61 74 00 87 f0 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 86 f0 5e | dated_at...^FP....created_at...^ |
17960 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
17980 | 00 00 00 00 69 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 78 04 77 61 72 6e 69 6e | ....i...._id.V..f+r.+@..x.warnin |
179a0 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 63 02 00 00 04 4d 50 32 44 00 | gs.......fingerprints.c....MP2D. |
179c0 | 58 02 00 00 02 30 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 02 31 00 21 00 00 | X....0.....9;1-1-2;2-2-2;..1.!.. |
179e0 | 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 | .2;1-2-2;1-1-9;2-1-2;2-1-3;2-1-6 |
17a00 | 3b 00 02 32 00 1b 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 | ;..2.....2;1-2-2;2-1-2;2-1-3;2-1 |
17a20 | 2d 39 3b 00 02 33 00 1b 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 | -9;..3.....2;1-1-2;1-1-3;2-1-2;2 |
17a40 | 2d 32 2d 33 3b 00 02 34 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 32 | -2-3;..4.....3;1-1-2;1-2-3;2-2-2 |
17a60 | 3b 32 2d 32 2d 33 3b 00 02 35 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 | ;2-2-3;..5.!...3;1-1-2;1-2-3;2-2 |
17a80 | 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 36 00 2e 00 00 00 32 3b 31 2d 31 2d 32 3b 31 | -2;2-2-3;2-1-6;..6.....2;1-1-2;1 |
17aa0 | 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 | -1-3;1-1-6;2-1-2;2-2-3;2-1-9;2-1 |
17ac0 | 2d 31 39 3b 00 02 37 00 1c 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 | -19;..7.....6;1-1-2;1-1-19;2-1-2 |
17ae0 | 3b 32 2d 32 2d 33 3b 00 02 38 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d | ;2-2-3;..8.....19;1-1-3;1-1-6;2- |
17b00 | 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 39 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 | 1-2;2-2-3;..9.....3;1-2-3;1-1-19 |
17b20 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-3;2-1-6;..10.....3;1-2-3;2- |
17b40 | 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-3;2-1-19;..11.....3;1-2-3;2-2- |
17b60 | 33 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 | 3;..12.....3;1-2-3;2-2-3;..13... |
17b80 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 | ..3;1-2-3;2-2-3;..14.....3;1-2-3 |
17ba0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | ;2-2-3;2-1-19;..15.....3;1-2-3;2 |
17bc0 | 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -1-2;2-2-3;..16.....3;1-2-3;2-2- |
17be0 | 33 3b 00 02 31 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 38 00 15 00 | 3;..17.....3;1-2-3;2-2-3;..18... |
17c00 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 | ..3;1-2-3;2-1-2;2-2-3;....smiles |
17c20 | 00 1f 00 00 00 4f 3d 43 31 43 3d 43 63 32 63 28 43 31 3d 4e 4e 63 31 63 63 63 63 63 31 29 63 63 | .....O=C1C=Cc2c(C1=NNc1ccccc1)cc |
17c40 | 63 63 32 00 02 69 6e 63 68 69 00 57 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 36 48 31 32 4e 32 | cc2..inchi.W...InChI=1S/C16H12N2 |
17c60 | 4f 2f 63 31 39 2d 31 35 2d 31 31 2d 31 30 2d 31 32 2d 36 2d 34 2d 35 2d 39 2d 31 34 28 31 32 29 | O/c19-15-11-10-12-6-4-5-9-14(12) |
17c80 | 31 36 28 31 35 29 31 38 2d 31 37 2d 31 33 2d 37 2d 32 2d 31 2d 33 2d 38 2d 31 33 2f 68 31 2d 31 | 16(15)18-17-13-7-2-1-3-8-13/h1-1 |
17ca0 | 31 2c 31 37 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 8f f0 5e 46 50 01 00 00 09 63 72 65 61 74 | 1,17H..updated_at...^FP....creat |
17cc0 | 65 64 5f 61 74 00 8d f0 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at...^FP....default_fingerpri |
17ce0 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 a5 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 | nt_size..........._id.V..f+r.+@. |
17d00 | 00 79 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 90 | .y.warnings.......fingerprints.. |
17d20 | 02 00 00 04 4d 50 32 44 00 85 02 00 00 02 30 00 0f 00 00 00 39 3b 31 2d 31 2d 34 3b 32 2d 31 2d | ....MP2D......0.....9;1-1-4;2-1- |
17d40 | 36 3b 00 02 31 00 15 00 00 00 34 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 33 3b 00 02 | 6;..1.....4;1-1-6;1-1-9;2-1-3;.. |
17d60 | 32 00 1b 00 00 00 36 3b 31 2d 31 2d 33 3b 31 2d 31 2d 34 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b | 2.....6;1-1-3;1-1-4;2-2-3;2-1-9; |
17d80 | 00 02 33 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d | ..3.!...3;1-2-3;1-1-6;2-2-3;2-1- |
17da0 | 34 3b 32 2d 31 2d 38 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | 4;2-1-8;..4.....3;1-2-3;2-2-3;2- |
17dc0 | 31 2d 36 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 36 00 0f 00 | 1-6;..5.....3;1-2-3;2-3-3;..6... |
17de0 | 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | ..3;1-3-3;2-4-3;..7.....3;1-2-3; |
17e00 | 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 2-3-3;2-1-8;..8.!...3;1-2-3;1-1- |
17e20 | 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 39 00 15 00 00 00 38 3b 31 2d | 8;2-1-1;2-2-3;2-1-6;..9.....8;1- |
17e40 | 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 | 1-1;1-1-3;2-2-3;..10.....1;1-1-8 |
17e60 | 3b 32 2d 31 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 | ;2-1-3;..11.....3;1-3-3;2-4-3;.. |
17e80 | 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 33 00 15 00 00 00 33 3b | 12.....3;1-2-3;2-3-3;..13.....3; |
17ea0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 34 00 21 00 00 00 33 3b 31 2d 32 | 1-2-3;2-2-3;2-1-6;..14.!...3;1-2 |
17ec0 | 2d 33 3b 31 2d 31 2d 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 34 3b 32 2d 31 2d 38 3b 00 02 31 35 00 | -3;1-1-6;2-2-3;2-1-4;2-1-8;..15. |
17ee0 | 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d | !...3;1-2-3;1-1-8;2-1-1;2-2-3;2- |
17f00 | 31 2d 36 3b 00 02 31 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 | 1-6;..16.....3;1-2-3;2-3-3;2-1-8 |
17f20 | 3b 00 02 31 37 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 | ;..17.....8;1-1-1;1-1-3;2-2-3;.. |
17f40 | 31 38 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 39 00 1b 00 00 00 36 3b | 18.....1;1-1-8;2-1-3;..19.....6; |
17f60 | 31 2d 31 2d 33 3b 31 2d 31 2d 34 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 30 00 15 00 00 | 1-1-3;1-1-4;2-2-3;2-1-9;..20.... |
17f80 | 00 34 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 33 3b 00 02 32 31 00 0f 00 00 00 39 3b | .4;1-1-6;1-1-9;2-1-3;..21.....9; |
17fa0 | 31 2d 31 2d 34 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 25 00 00 00 4f 3d 43 3d 4e | 1-1-4;2-1-6;....smiles.%...O=C=N |
17fc0 | 63 31 63 63 63 28 63 63 31 4f 43 29 63 31 63 63 63 28 63 28 63 31 29 4f 43 29 4e 3d 43 3d 4f 00 | c1ccc(cc1OC)c1ccc(c(c1)OC)N=C=O. |
17fe0 | 02 69 6e 63 68 69 00 60 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 36 48 31 32 4e 32 4f 34 2f 63 | .inchi.`...InChI=1S/C16H12N2O4/c |
18000 | 31 2d 32 31 2d 31 35 2d 37 2d 31 31 28 33 2d 35 2d 31 33 28 31 35 29 31 37 2d 39 2d 31 39 29 31 | 1-21-15-7-11(3-5-13(15)17-9-19)1 |
18020 | 32 2d 34 2d 36 2d 31 34 28 31 38 2d 31 30 2d 32 30 29 31 36 28 38 2d 31 32 29 32 32 2d 32 2f 68 | 2-4-6-14(18-10-20)16(8-12)22-2/h |
18040 | 33 2d 38 48 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 98 f0 5e 46 50 01 00 00 09 | 3-8H,1-2H3..updated_at...^FP.... |
18060 | 63 72 65 61 74 65 64 5f 61 74 00 95 f0 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at...^FP....default_fing |
18080 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 5b 04 00 00 07 5f 69 64 00 56 16 1c 66 2b | erprint_size......[...._id.V..f+ |
180a0 | 72 ed 2b 40 00 00 7a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.+@..z.warnings.......fingerpri |
180c0 | 6e 74 73 00 32 03 00 00 04 4d 50 32 44 00 27 03 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 31 | nts.2....MP2D.'....0.....9;1-1-1 |
180e0 | 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 00 1d 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 | 9;2-1-3;2-1-9;..1.....19;1-1-3;1 |
18100 | 2d 32 2d 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 32 00 16 00 00 00 39 3b 31 2d 31 2d | -2-9;2-1-3;2-1-18;..2.....9;1-1- |
18120 | 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 | 19;2-1-3;2-1-9;..3.#...3;1-1-3;1 |
18140 | 2d 31 2d 31 38 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 34 00 1d 00 00 | -1-18;1-1-19;2-2-3;2-2-9;..4.... |
18160 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 31 39 3b 00 02 35 | .3;1-2-3;2-1-3;2-1-18;2-1-19;..5 |
18180 | 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 36 00 1d 00 | .....3;1-2-3;2-2-3;2-1-18;..6... |
181a0 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 | ..3;1-2-3;1-1-18;2-2-3;2-2-11;.. |
181c0 | 37 00 17 00 00 00 31 38 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 38 00 | 7.....18;1-2-3;2-3-3;2-1-19;..8. |
181e0 | 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 32 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 38 3b | ....3;1-1-3;1-2-11;2-3-3;2-1-18; |
18200 | 00 02 39 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d | ..9.....11;1-2-3;2-2-3;2-1-11;2- |
18220 | 31 2d 31 39 3b 00 02 31 30 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 | 1-19;..10.#...3;1-1-3;1-1-11;1-1 |
18240 | 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 33 2d 33 3b 00 02 31 31 00 23 00 00 00 31 39 3b 31 2d 32 2d | -19;2-2-1;2-3-3;..11.#...19;1-2- |
18260 | 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 32 00 | 1;1-1-3;2-2-1;2-1-3;2-1-11;..12. |
18280 | 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 | "...1;1-1-1;1-1-19;2-1-1;2-1-3;2 |
182a0 | 2d 31 2d 38 3b 00 02 31 33 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d | -1-8;..13.....1;1-1-1;1-1-8;2-1- |
182c0 | 31 3b 32 2d 31 2d 31 39 3b 00 02 31 34 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b | 1;2-1-19;..14.....8;1-2-1;2-2-1; |
182e0 | 00 02 31 35 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 | ..15.....1;1-1-1;1-1-8;2-1-1;2-1 |
18300 | 2d 31 39 3b 00 02 31 36 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d | -19;..16."...1;1-1-1;1-1-19;2-1- |
18320 | 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 37 00 1d 00 00 00 33 3b 31 2d 33 2d 33 3b 32 | 1;2-1-3;2-1-8;..17.....3;1-3-3;2 |
18340 | 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 31 38 00 16 00 00 00 33 3b 31 2d | -2-3;2-2-11;2-1-19;..18.....3;1- |
18360 | 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 34 2d 33 3b 00 02 31 39 00 17 00 00 00 31 31 3b 31 2d 32 | 2-3;1-1-11;2-4-3;..19.....11;1-2 |
18380 | 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 | -3;2-3-3;2-1-11;..20.....3;1-2-3 |
183a0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | ;2-2-3;2-1-11;..21.....3;1-2-3;2 |
183c0 | 2d 32 2d 33 3b 00 02 32 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 33 | -2-3;..22.....3;1-2-3;2-2-3;..23 |
183e0 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 2b 00 | .....3;1-2-3;2-3-3;....smiles.+. |
18400 | 00 00 4f 3d 4e 28 3d 4f 29 63 31 63 63 63 28 73 31 29 63 31 6e 63 28 4e 32 43 43 4f 43 43 32 29 | ..O=N(=O)c1ccc(s1)c1nc(N2CCOCC2) |
18420 | 63 32 63 28 6e 31 29 63 63 63 63 32 00 02 69 6e 63 68 69 00 6e 00 00 00 49 6e 43 68 49 3d 31 53 | c2c(n1)cccc2..inchi.n...InChI=1S |
18440 | 2f 43 31 36 48 31 34 4e 34 4f 33 53 2f 63 32 31 2d 32 30 28 32 32 29 31 34 2d 36 2d 35 2d 31 33 | /C16H14N4O3S/c21-20(22)14-6-5-13 |
18460 | 28 32 34 2d 31 34 29 31 35 2d 31 37 2d 31 32 2d 34 2d 32 2d 31 2d 33 2d 31 31 28 31 32 29 31 36 | (24-14)15-17-12-4-2-1-3-11(12)16 |
18480 | 28 31 38 2d 31 35 29 31 39 2d 37 2d 39 2d 32 33 2d 31 30 2d 38 2d 31 39 2f 68 31 2d 36 48 2c 37 | (18-15)19-7-9-23-10-8-19/h1-6H,7 |
184a0 | 2d 31 30 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 a1 f0 5e 46 50 01 00 00 09 63 72 65 61 74 | -10H2..updated_at...^FP....creat |
184c0 | 65 64 5f 61 74 00 9f f0 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at...^FP....default_fingerpri |
184e0 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 00 04 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 | nt_size..........._id.V..f+r.+@. |
18500 | 00 7b 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 de | .{.warnings.......fingerprints.. |
18520 | 02 00 00 04 4d 50 32 44 00 d3 02 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d | ....MP2D......0.....8;1-1-3;2-2- |
18540 | 33 3b 00 02 31 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d | 3;..1.....3;1-2-3;1-1-8;2-2-3;2- |
18560 | 31 2d 38 3b 00 02 32 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | 1-8;..2.....3;1-2-3;2-1-1;2-2-3; |
18580 | 32 2d 31 2d 38 3b 00 02 33 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-1-8;..3.....3;1-1-1;1-2-3;2-2- |
185a0 | 31 3b 32 2d 32 2d 33 3b 00 02 34 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d | 1;2-2-3;..4.!...1;1-1-1;1-1-3;2- |
185c0 | 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b | 2-1;2-2-3;2-1-8;..5.....1;1-3-1; |
185e0 | 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 21 00 00 00 31 3b 31 2d 31 2d | 1-1-8;2-3-3;2-1-8;..6.!...1;1-1- |
18600 | 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 34 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 1b 00 | 1;1-2-3;2-2-1;2-4-3;2-1-8;..7... |
18620 | 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 33 2d 33 3b 00 02 38 00 | ..3;1-1-1;1-2-3;2-2-1;2-3-3;..8. |
18640 | 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 | ....3;1-2-3;2-1-1;2-2-3;2-1-8;.. |
18660 | 39 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b | 9.....3;1-2-3;1-1-8;2-2-3;2-1-8; |
18680 | 00 02 31 30 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 21 00 00 00 | ..10.....8;1-1-3;2-2-3;..11.!... |
186a0 | 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b | 3;1-1-1;1-2-3;2-1-1;2-3-3;2-1-8; |
186c0 | 00 02 31 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 | ..12.....3;1-2-3;2-1-1;2-2-3;..1 |
186e0 | 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 34 00 1b | 3.....3;1-2-3;2-2-3;2-1-8;..14.. |
18700 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 | ...3;1-2-3;1-1-8;2-2-3;2-1-8;..1 |
18720 | 35 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b | 5.....3;1-2-3;1-1-8;2-2-3;2-2-8; |
18740 | 00 02 31 36 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 | ..16.!...3;1-2-3;1-1-8;2-2-1;2-2 |
18760 | 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 37 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b | -3;2-1-8;..17.....8;1-1-1;1-1-3; |
18780 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 38 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-1-1;2-2-3;..18.!...1;1-1-1;1-1 |
187a0 | 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 39 00 0f 00 00 00 38 3b | -8;2-2-1;2-1-3;2-1-8;..19.....8; |
187c0 | 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 30 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 | 1-1-3;2-2-3;..20.....8;1-1-3;2-2 |
187e0 | 2d 33 3b 00 02 32 31 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 00 00 02 73 6d | -3;..21.....8;1-1-1;2-3-1;....sm |
18800 | 69 6c 65 73 00 27 00 00 00 4f 63 31 63 63 32 43 43 33 28 43 28 63 32 63 63 31 4f 29 63 31 63 63 | iles.'...Oc1cc2CC3(C(c2cc1O)c1cc |
18820 | 63 28 63 28 63 31 4f 43 33 29 4f 29 4f 29 4f 00 02 69 6e 63 68 69 00 6b 00 00 00 49 6e 43 68 49 | c(c(c1OC3)O)O)O..inchi.k...InChI |
18840 | 3d 31 53 2f 43 31 36 48 31 34 4f 36 2f 63 31 37 2d 31 30 2d 32 2d 31 2d 38 2d 31 33 2d 39 2d 34 | =1S/C16H14O6/c17-10-2-1-8-13-9-4 |
18860 | 2d 31 32 28 31 39 29 31 31 28 31 38 29 33 2d 37 28 39 29 35 2d 31 36 28 31 33 2c 32 31 29 36 2d | -12(19)11(18)3-7(9)5-16(13,21)6- |
18880 | 32 32 2d 31 35 28 38 29 31 34 28 31 30 29 32 30 2f 68 31 2d 34 2c 31 33 2c 31 37 2d 32 31 48 2c | 22-15(8)14(10)20/h1-4,13,17-21H, |
188a0 | 35 2d 36 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 ab f0 5e 46 50 01 00 00 09 63 72 65 61 74 | 5-6H2..updated_at...^FP....creat |
188c0 | 65 64 5f 61 74 00 a8 f0 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at...^FP....default_fingerpri |
188e0 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 54 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 | nt_size......T...._id.V..f+r.+@. |
18900 | 00 7c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 4f | .|.warnings.......fingerprints.O |
18920 | 02 00 00 04 4d 50 32 44 00 44 02 00 00 02 30 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d | ....MP2D.D....0.....9;1-1-2;2-1- |
18940 | 33 3b 32 2d 31 2d 38 3b 00 02 31 00 21 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d | 3;2-1-8;..1.!...2;1-1-3;1-1-8;1- |
18960 | 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b | 1-9;2-1-1;2-2-3;..2.(...3;1-1-2; |
18980 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 | 1-2-3;2-2-3;2-1-8;2-1-9;2-1-19;. |
189a0 | 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 00 0f | .3.....3;1-2-3;2-1-2;2-2-3;..4.. |
189c0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | ...3;1-2-3;2-2-3;..5.....3;1-2-3 |
189e0 | 3b 32 2d 32 2d 33 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | ;2-2-3;..6.....3;1-2-3;2-2-3;2-1 |
18a00 | 2d 31 39 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 | -19;..7.....3;1-2-3;1-1-19;2-1-2 |
18a20 | 3b 32 2d 32 2d 33 3b 00 02 38 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 | ;2-2-3;..8.....19;1-1-3;2-2-3;.. |
18a40 | 39 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b | 9.!...8;1-1-1;1-1-2;2-1-2;2-1-3; |
18a60 | 32 2d 31 2d 39 3b 00 02 31 30 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 32 | 2-1-9;..10.....1;1-1-2;1-1-8;2-2 |
18a80 | 2d 32 3b 00 02 31 31 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b | -2;..11.....2;1-1-1;1-1-2;2-1-3; |
18aa0 | 32 2d 31 2d 38 3b 00 02 31 32 00 1b 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 | 2-1-8;..12.....2;1-1-2;1-1-3;2-1 |
18ac0 | 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 33 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b | -1;2-2-3;..13.....3;1-1-2;1-2-3; |
18ae0 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | 2-1-2;2-2-3;..14.....3;1-2-3;2-1 |
18b00 | 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | -2;2-2-3;..15.....3;1-2-3;2-2-3; |
18b20 | 00 02 31 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 37 00 0f 00 00 00 | ..16.....3;1-2-3;2-2-3;..17..... |
18b40 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-2-3;2-2-3;..18.....3;1-2-3;2 |
18b60 | 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1c 00 00 00 4f 3d 43 28 63 31 | -1-2;2-2-3;....smiles.....O=C(c1 |
18b80 | 63 63 63 63 63 31 4e 29 4f 43 43 3d 43 63 31 63 63 63 63 63 31 00 02 69 6e 63 68 69 00 59 00 00 | ccccc1N)OCC=Cc1ccccc1..inchi.Y.. |
18ba0 | 00 49 6e 43 68 49 3d 31 53 2f 43 31 36 48 31 35 4e 4f 32 2f 63 31 37 2d 31 35 2d 31 31 2d 35 2d | .InChI=1S/C16H15NO2/c17-15-11-5- |
18bc0 | 34 2d 31 30 2d 31 34 28 31 35 29 31 36 28 31 38 29 31 39 2d 31 32 2d 36 2d 39 2d 31 33 2d 37 2d | 4-10-14(15)16(18)19-12-6-9-13-7- |
18be0 | 32 2d 31 2d 33 2d 38 2d 31 33 2f 68 31 2d 31 31 48 2c 31 32 2c 31 37 48 32 00 09 75 70 64 61 74 | 2-1-3-8-13/h1-11H,12,17H2..updat |
18c00 | 65 64 5f 61 74 00 b4 f0 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 b1 f0 5e 46 50 01 | ed_at...^FP....created_at...^FP. |
18c20 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
18c40 | 00 1a 04 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 7d 04 77 61 72 6e 69 6e 67 73 00 | ......_id.V..f+r.+@..}.warnings. |
18c60 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 e6 02 00 00 04 4d 50 32 44 00 db 02 00 | ......fingerprints......MP2D.... |
18c80 | 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 31 00 | ..0.....1;1-1-2;2-1-6;2-1-9;..1. |
18ca0 | 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 33 3b 00 02 | ....2;1-1-1;1-1-6;1-1-9;2-1-3;.. |
18cc0 | 32 00 21 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | 2.!...6;1-1-2;1-1-3;2-1-1;2-2-3; |
18ce0 | 32 2d 31 2d 39 3b 00 02 33 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d | 2-1-9;..3.....3;1-2-3;1-1-6;2-1- |
18d00 | 32 3b 32 2d 32 2d 33 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | 2;2-2-3;..4.....3;1-2-3;2-2-3;2- |
18d20 | 31 2d 36 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 | 1-6;..5.....3;1-2-3;2-2-3;2-1-30 |
18d40 | 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 33 30 3b 32 2d 33 2d 33 3b 32 2d | ;..6.....3;1-2-3;1-1-30;2-3-3;2- |
18d60 | 32 2d 39 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 | 2-9;..7.....3;1-2-3;2-2-3;2-1-30 |
18d80 | 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 39 | ;..8.....3;1-2-3;2-2-3;2-1-6;..9 |
18da0 | 00 16 00 00 00 33 30 3b 31 2d 32 2d 33 3b 31 2d 32 2d 39 3b 32 2d 34 2d 33 3b 00 02 31 30 00 16 | .....30;1-2-3;1-2-9;2-4-3;..10.. |
18dc0 | 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 31 00 16 00 00 | ...9;1-1-30;2-2-3;2-1-9;..11.... |
18de0 | 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 32 00 1c 00 00 00 33 | .9;1-1-30;2-2-3;2-1-9;..12.....3 |
18e00 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 33 30 3b 32 2d 33 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 33 00 16 | ;1-2-3;1-1-30;2-3-3;2-2-9;..13.. |
18e20 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 34 00 15 00 00 | ...3;1-2-3;2-2-3;2-1-30;..14.... |
18e40 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 35 00 1b 00 00 00 33 3b | .3;1-2-3;2-2-3;2-1-6;..15.....3; |
18e60 | 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 36 00 15 00 00 | 1-2-3;1-1-6;2-1-2;2-2-3;..16.... |
18e80 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 37 00 16 00 00 00 33 3b | .3;1-2-3;2-2-3;2-1-6;..17.....3; |
18ea0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 38 00 21 00 00 00 36 3b 31 2d | 1-2-3;2-2-3;2-1-30;..18.!...6;1- |
18ec0 | 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 39 | 1-2;1-1-3;2-1-1;2-2-3;2-1-9;..19 |
18ee0 | 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 33 3b 00 | .....2;1-1-1;1-1-6;1-1-9;2-1-3;. |
18f00 | 02 32 30 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 32 31 | .20.....9;1-1-2;2-1-1;2-1-6;..21 |
18f20 | 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 32 32 00 15 00 | .....1;1-1-2;2-1-6;2-1-9;..22... |
18f40 | 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 | ..9;1-1-2;2-1-1;2-1-6;....smiles |
18f60 | 00 2c 00 00 00 43 43 28 3d 4e 63 31 63 63 63 28 63 63 31 29 53 28 3d 4f 29 28 3d 4f 29 63 31 63 | .,...CC(=Nc1ccc(cc1)S(=O)(=O)c1c |
18f80 | 63 63 28 63 63 31 29 4e 3d 43 28 4f 29 43 29 4f 00 02 69 6e 63 68 69 00 78 00 00 00 49 6e 43 68 | cc(cc1)N=C(O)C)O..inchi.x...InCh |
18fa0 | 49 3d 31 53 2f 43 31 36 48 31 36 4e 32 4f 34 53 2f 63 31 2d 31 31 28 31 39 29 31 37 2d 31 33 2d | I=1S/C16H16N2O4S/c1-11(19)17-13- |
18fc0 | 33 2d 37 2d 31 35 28 38 2d 34 2d 31 33 29 32 33 28 32 31 2c 32 32 29 31 36 2d 39 2d 35 2d 31 34 | 3-7-15(8-4-13)23(21,22)16-9-5-14 |
18fe0 | 28 36 2d 31 30 2d 31 36 29 31 38 2d 31 32 28 32 29 32 30 2f 68 33 2d 31 30 48 2c 31 2d 32 48 33 | (6-10-16)18-12(2)20/h3-10H,1-2H3 |
19000 | 2c 28 48 2c 31 37 2c 31 39 29 28 48 2c 31 38 2c 32 30 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 | ,(H,17,19)(H,18,20)..updated_at. |
19020 | bd f0 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 bb f0 5e 46 50 01 00 00 10 64 65 66 | ..^FP....created_at...^FP....def |
19040 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 6b 04 00 00 07 | ault_fingerprint_size......k.... |
19060 | 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 7e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..f+r.+@..~.warnings....... |
19080 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 3d 03 00 00 04 4d 50 32 44 00 32 03 00 00 02 30 00 0f 00 | fingerprints.=....MP2D.2....0... |
190a0 | 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b | ..8;1-1-1;2-1-1;..1.....1;1-1-1; |
190c0 | 31 2d 31 2d 38 3b 32 2d 31 2d 31 39 3b 00 02 32 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | 1-1-8;2-1-19;..2."...1;1-1-1;1-1 |
190e0 | 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 00 23 00 00 00 31 39 | -19;2-1-1;2-1-3;2-1-8;..3.#...19 |
19100 | 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b | ;1-2-1;1-1-3;2-2-1;2-1-3;2-1-11; |
19120 | 00 02 34 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d | ..4.#...3;1-1-3;1-1-11;1-1-19;2- |
19140 | 32 2d 31 3b 32 2d 33 2d 33 3b 00 02 35 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 2-1;2-3-3;..5.....11;1-2-3;2-2-3 |
19160 | 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 36 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 | ;2-1-11;2-1-19;..6.....3;1-1-3;1 |
19180 | 2d 32 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 37 00 17 00 00 00 31 31 3b 31 2d | -2-11;2-3-3;2-1-18;..7.....11;1- |
191a0 | 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-3-3;2-1-11;..8.....3;1-2-3 |
191c0 | 3b 31 2d 31 2d 31 31 3b 32 2d 34 2d 33 3b 00 02 39 00 1d 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d | ;1-1-11;2-4-3;..9.....3;1-3-3;2- |
191e0 | 32 2d 33 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 | 2-3;2-2-11;2-1-19;..10.....3;1-2 |
19200 | 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | -3;2-3-3;..11.....3;1-2-3;2-2-3; |
19220 | 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 16 00 00 00 | ..12.....3;1-2-3;2-2-3;..13..... |
19240 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 34 00 1d 00 00 00 33 3b | 3;1-2-3;2-2-3;2-1-11;..14.....3; |
19260 | 31 2d 32 2d 33 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 35 00 16 | 1-2-3;1-1-18;2-2-3;2-2-11;..15.. |
19280 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 31 36 00 1d 00 00 | ...3;1-2-3;2-2-3;2-1-18;..16.... |
192a0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 31 39 3b 00 02 31 | .3;1-2-3;2-1-3;2-1-18;2-1-19;..1 |
192c0 | 37 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 38 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d | 7.#...3;1-1-3;1-1-18;1-1-19;2-2- |
192e0 | 33 3b 32 2d 32 2d 39 3b 00 02 31 38 00 17 00 00 00 31 38 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b | 3;2-2-9;..18.....18;1-2-3;2-3-3; |
19300 | 32 2d 31 2d 31 39 3b 00 02 31 39 00 1d 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 | 2-1-19;..19.....19;1-1-3;1-2-9;2 |
19320 | 2d 31 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 32 30 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d | -1-3;2-1-18;..20.....9;1-1-19;2- |
19340 | 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 31 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d | 1-3;2-1-9;..21.....9;1-1-19;2-1- |
19360 | 33 3b 32 2d 31 2d 39 3b 00 02 32 32 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b | 3;2-1-9;..22."...1;1-1-1;1-1-19; |
19380 | 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 33 00 16 00 00 00 31 3b 31 2d 31 | 2-1-1;2-1-3;2-1-8;..23.....1;1-1 |
193a0 | 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 39 3b 00 02 32 34 00 0f 00 00 00 38 3b 31 2d 31 2d 31 | -1;1-1-8;2-1-19;..24.....8;1-1-1 |
193c0 | 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 2a 00 00 00 4f 43 43 4e 28 63 31 6e 63 28 | ;2-1-1;....smiles.*...OCCN(c1nc( |
193e0 | 6e 63 32 63 31 63 63 63 63 32 29 63 31 63 63 63 28 73 31 29 4e 28 3d 4f 29 3d 4f 29 43 43 4f 00 | nc2c1cccc2)c1ccc(s1)N(=O)=O)CCO. |
19400 | 02 69 6e 63 68 69 00 74 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 36 48 31 36 4e 34 4f 34 53 2f | .inchi.t...InChI=1S/C16H16N4O4S/ |
19420 | 63 32 31 2d 39 2d 37 2d 31 39 28 38 2d 31 30 2d 32 32 29 31 36 2d 31 31 2d 33 2d 31 2d 32 2d 34 | c21-9-7-19(8-10-22)16-11-3-1-2-4 |
19440 | 2d 31 32 28 31 31 29 31 37 2d 31 35 28 31 38 2d 31 36 29 31 33 2d 35 2d 36 2d 31 34 28 32 35 2d | -12(11)17-15(18-16)13-5-6-14(25- |
19460 | 31 33 29 32 30 28 32 33 29 32 34 2f 68 31 2d 36 2c 32 31 2d 32 32 48 2c 37 2d 31 30 48 32 00 09 | 13)20(23)24/h1-6,21-22H,7-10H2.. |
19480 | 75 70 64 61 74 65 64 5f 61 74 00 c7 f0 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c5 | updated_at...^FP....created_at.. |
194a0 | f0 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | .^FP....default_fingerprint_size |
194c0 | 00 00 00 00 00 00 54 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 7f 04 77 61 72 6e | ......T...._id.V..f+r.+@....warn |
194e0 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 49 02 00 00 04 4d 50 32 | ings.......fingerprints.I....MP2 |
19500 | 44 00 3e 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 15 | D.>....0.....1;1-1-8;2-1-3;..1.. |
19520 | 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 1b 00 00 00 33 | ...8;1-1-1;1-1-3;2-2-3;..2.....3 |
19540 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 15 00 00 | ;1-2-3;1-1-8;2-1-1;2-2-3;..3.... |
19560 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 15 00 00 00 33 3b 31 | .3;1-2-3;2-2-3;2-1-8;..4.....3;1 |
19580 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 00 21 00 00 00 33 3b 31 2d 32 2d 33 | -2-3;2-2-3;2-1-8;..5.!...3;1-2-3 |
195a0 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 21 00 00 | ;1-1-8;2-1-1;2-1-2;2-2-3;..6.!.. |
195c0 | 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 | .3;1-1-2;1-2-3;2-1-2;2-2-3;2-1-8 |
195e0 | 3b 00 02 37 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 | ;..7.....3;1-2-3;2-1-2;2-2-3;2-1 |
19600 | 2d 38 3b 00 02 38 00 15 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 33 2d 33 3b 00 | -8;..8.....2;1-1-2;1-1-3;2-3-3;. |
19620 | 02 39 00 15 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 30 00 | .9.....2;1-1-2;1-1-3;2-3-3;..10. |
19640 | 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 | ....3;1-1-2;1-2-3;2-1-2;2-2-3;.. |
19660 | 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 32 00 | 11.....3;1-2-3;2-1-2;2-2-3;..12. |
19680 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 16 00 | ....3;1-2-3;2-2-3;2-1-19;..13... |
196a0 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 31 34 00 16 00 00 00 | ..3;1-2-3;1-1-19;2-2-3;..14..... |
196c0 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 35 00 15 00 00 00 33 3b | 3;1-2-3;2-2-3;2-1-19;..15.....3; |
196e0 | 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 36 00 10 00 00 00 31 39 3b 31 2d | 1-2-3;2-1-2;2-2-3;..16.....19;1- |
19700 | 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 37 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 | 1-3;2-2-3;..17.....8;1-1-1;1-1-3 |
19720 | 3b 32 2d 32 2d 33 3b 00 02 31 38 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 00 | ;2-2-3;..18.....1;1-1-8;2-1-3;.. |
19740 | 00 02 73 6d 69 6c 65 73 00 1f 00 00 00 43 4f 63 31 63 63 63 28 63 28 63 31 29 43 3d 43 63 31 63 | ..smiles.....COc1ccc(c(c1)C=Cc1c |
19760 | 63 63 28 63 63 31 29 4e 29 4f 43 00 02 69 6e 63 68 69 00 5c 00 00 00 49 6e 43 68 49 3d 31 53 2f | cc(cc1)N)OC..inchi.\...InChI=1S/ |
19780 | 43 31 36 48 31 37 4e 4f 32 2f 63 31 2d 31 38 2d 31 35 2d 39 2d 31 30 2d 31 36 28 31 39 2d 32 29 | C16H17NO2/c1-18-15-9-10-16(19-2) |
197a0 | 31 33 28 31 31 2d 31 35 29 36 2d 33 2d 31 32 2d 34 2d 37 2d 31 34 28 31 37 29 38 2d 35 2d 31 32 | 13(11-15)6-3-12-4-7-14(17)8-5-12 |
197c0 | 2f 68 33 2d 31 31 48 2c 31 37 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 d0 | /h3-11H,17H2,1-2H3..updated_at.. |
197e0 | f0 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ce f0 5e 46 50 01 00 00 10 64 65 66 61 | .^FP....created_at...^FP....defa |
19800 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 a2 04 00 00 07 5f | ult_fingerprint_size..........._ |
19820 | 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 80 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..f+r.+@....warnings.......f |
19840 | 69 6e 67 65 72 70 72 69 6e 74 73 00 5b 03 00 00 04 4d 50 32 44 00 50 03 00 00 02 30 00 0f 00 00 | ingerprints.[....MP2D.P....0.... |
19860 | 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 | .1;1-1-3;2-2-3;..1.!...3;1-1-1;1 |
19880 | 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 32 00 1b 00 00 00 33 | -2-3;2-1-1;2-2-3;2-1-6;..2.....3 |
198a0 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 33 00 15 00 00 | ;1-2-3;1-1-6;2-1-1;2-3-3;..3.... |
198c0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 34 00 0f 00 00 00 33 3b 31 | .3;1-2-3;2-2-3;2-1-6;..4.....3;1 |
198e0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 | -2-3;2-2-3;..5.....3;1-2-3;2-1-1 |
19900 | 3b 32 2d 32 2d 33 3b 00 02 36 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 | ;2-2-3;..6.....3;1-1-1;1-2-3;2-1 |
19920 | 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | -1;2-2-3;..7.....1;1-1-3;2-2-3;. |
19940 | 02 38 00 16 00 00 00 36 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 39 00 | .8.....6;1-2-3;2-3-3;2-1-11;..9. |
19960 | 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 | #...3;1-1-3;1-1-6;1-1-11;2-3-3;2 |
19980 | 2d 31 2d 31 33 3b 00 02 31 30 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 32 | -1-13;..10.....3;1-2-3;2-1-6;2-2 |
199a0 | 2d 31 31 3b 32 2d 31 2d 31 35 3b 00 02 31 31 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d | -11;2-1-15;..11.....3;1-1-3;1-1- |
199c0 | 31 31 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 31 32 00 17 00 00 00 31 35 3b 31 2d 31 2d | 11;1-1-15;2-2-3;..12.....15;1-1- |
199e0 | 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 33 00 25 00 00 00 31 31 3b 31 2d 32 2d 33 | 3;2-1-3;2-1-11;..13.%...11;1-2-3 |
19a00 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 35 3b 00 02 31 34 | ;2-1-3;2-1-10;2-1-11;2-1-15;..14 |
19a20 | 00 24 00 00 00 33 3b 31 2d 31 2d 31 30 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | .$...3;1-1-10;1-2-11;2-1-1;2-2-3 |
19a40 | 3b 32 2d 31 2d 31 33 3b 00 02 31 35 00 2b 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 | ;2-1-13;..15.+...11;1-2-3;1-1-13 |
19a60 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 31 3b 00 02 31 36 00 | ;2-1-3;2-1-6;2-1-10;2-1-11;..16. |
19a80 | 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 37 00 1d 00 00 00 31 30 3b | ....13;1-1-11;2-2-3;..17.....10; |
19aa0 | 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 31 31 3b 00 02 31 38 00 22 00 | 1-1-1;1-1-3;2-1-2;2-2-11;..18.". |
19ac0 | 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 | ..1;1-1-2;1-1-10;2-1-3;2-1-6;2-1 |
19ae0 | 2d 39 3b 00 02 31 39 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b | -9;..19."...2;1-1-1;1-1-6;1-1-9; |
19b00 | 32 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 32 30 00 1b 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d | 2-1-1;2-1-10;..20.....6;1-1-1;1- |
19b20 | 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 32 31 00 1b 00 00 00 31 3b 31 2d 31 2d 31 | 1-2;2-2-1;2-1-9;..21.....1;1-1-1 |
19b40 | 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 32 00 15 00 00 00 31 3b 31 2d | ;1-1-6;2-1-2;2-1-8;..22.....1;1- |
19b60 | 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 36 3b 00 02 32 33 00 0f 00 00 00 38 3b 31 2d 31 2d 31 | 1-1;1-1-8;2-1-6;..23.....8;1-1-1 |
19b80 | 3b 32 2d 31 2d 31 3b 00 02 32 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d | ;2-1-1;..24.....9;1-1-2;2-1-1;2- |
19ba0 | 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 2b 00 00 00 43 63 31 63 28 63 63 63 63 31 43 29 4e | 1-6;....smiles.+...Cc1c(cccc1C)N |
19bc0 | 3d 63 31 63 63 28 43 6c 29 6e 63 28 5b 6e 48 5d 31 29 53 43 43 28 3d 4e 43 43 4f 29 4f 00 02 69 | =c1cc(Cl)nc([nH]1)SCC(=NCCO)O..i |
19be0 | 6e 63 68 69 00 8c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 36 48 31 39 43 6c 4e 34 4f 32 53 2f | nchi.....InChI=1S/C16H19ClN4O2S/ |
19c00 | 63 31 2d 31 30 2d 34 2d 33 2d 35 2d 31 32 28 31 31 28 31 30 29 32 29 31 39 2d 31 34 2d 38 2d 31 | c1-10-4-3-5-12(11(10)2)19-14-8-1 |
19c20 | 33 28 31 37 29 32 30 2d 31 36 28 32 31 2d 31 34 29 32 34 2d 39 2d 31 35 28 32 33 29 31 38 2d 36 | 3(17)20-16(21-14)24-9-15(23)18-6 |
19c40 | 2d 37 2d 32 32 2f 68 33 2d 35 2c 38 2c 32 32 48 2c 36 2d 37 2c 39 48 32 2c 31 2d 32 48 33 2c 28 | -7-22/h3-5,8,22H,6-7,9H2,1-2H3,( |
19c60 | 48 2c 31 38 2c 32 33 29 28 48 2c 31 39 2c 32 30 2c 32 31 29 00 09 75 70 64 61 74 65 64 5f 61 74 | H,18,23)(H,19,20,21)..updated_at |
19c80 | 00 da f0 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d7 f0 5e 46 50 01 00 00 10 64 65 | ...^FP....created_at...^FP....de |
19ca0 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 64 04 00 00 | fault_fingerprint_size......d... |
19cc0 | 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 81 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V..f+r.+@....warnings...... |
19ce0 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 31 03 00 00 04 4d 50 32 44 00 26 03 00 00 02 30 00 15 | .fingerprints.1....MP2D.&....0.. |
19d00 | 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 1b 00 00 00 32 | ...9;1-1-2;2-1-1;2-1-8;..1.....2 |
19d20 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b 00 02 32 00 1b 00 00 | ;1-1-1;1-1-8;1-1-9;2-3-1;..2.... |
19d40 | 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 21 | .8;1-1-1;1-1-2;2-3-1;2-1-9;..3.! |
19d60 | 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 | ...1;1-2-1;1-1-8;2-1-1;2-2-2;2-1 |
19d80 | 2d 35 3b 00 02 34 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 32 | -5;..4.....1;1-2-1;2-1-1;2-1-5;2 |
19da0 | 2d 31 2d 38 3b 00 02 35 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 33 2d 31 | -1-8;..5.....1;1-1-1;1-1-5;2-3-1 |
19dc0 | 3b 00 02 36 00 15 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 37 | ;..6.....5;1-3-1;2-2-1;2-2-2;..7 |
19de0 | 00 27 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 35 3b 32 2d 34 2d 31 3b 32 | .'...1;1-1-1;1-1-2;1-1-5;2-4-1;2 |
19e00 | 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 38 00 21 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 | -1-2;2-1-8;..8.!...2;1-2-1;1-1-2 |
19e20 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b 00 02 39 00 1b 00 00 00 32 3b 31 2d 31 | ;2-2-1;2-1-5;2-1-8;..9.....2;1-1 |
19e40 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 30 00 1b 00 00 00 31 3b | -1;1-1-2;2-2-1;2-1-5;..10.....1; |
19e60 | 31 2d 31 2d 32 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 31 00 1b 00 00 | 1-1-2;1-1-5;2-2-1;2-1-2;..11.... |
19e80 | 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 32 00 | .1;1-1-2;1-1-8;2-1-1;2-2-2;..12. |
19ea0 | 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d | !...8;1-1-1;1-1-2;2-1-1;2-1-2;2- |
19ec0 | 31 2d 39 3b 00 02 31 33 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 | 1-9;..13.!...2;1-1-1;1-1-8;1-1-9 |
19ee0 | 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d | ;2-3-1;2-1-8;..14.....9;1-1-2;2- |
19f00 | 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 35 00 27 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 | 1-1;2-1-8;..15.'...1;1-2-1;1-1-2 |
19f20 | 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 36 00 21 00 | ;1-1-8;2-2-1;2-2-8;2-1-9;..16.!. |
19f40 | 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d | ..1;1-3-1;1-1-8;2-2-1;2-2-2;2-1- |
19f60 | 38 3b 00 02 31 37 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 | 8;..17.!...1;1-2-1;1-1-2;2-2-1;2 |
19f80 | 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 38 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d | -2-8;2-1-9;..18.....1;1-1-1;2-1- |
19fa0 | 31 3b 32 2d 31 2d 32 3b 00 02 31 39 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 | 1;2-1-2;..19.....1;1-1-1;2-2-1;2 |
19fc0 | 2d 31 2d 38 3b 00 02 32 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 32 31 | -1-8;..20.....8;1-1-1;2-3-1;..21 |
19fe0 | 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 | .....1;1-1-1;2-1-1;2-1-2;2-1-8;. |
1a000 | 02 32 32 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 | .22.....8;1-1-1;2-2-1;2-1-2;.... |
1a020 | 73 6d 69 6c 65 73 00 2d 00 00 00 4f 3d 43 31 4f 43 32 43 43 4e 33 43 32 43 28 3d 43 43 33 29 43 | smiles.-...O=C1OC2CCN3C2C(=CC3)C |
1a040 | 4f 43 28 3d 4f 29 43 28 43 28 43 31 43 29 28 43 29 4f 29 28 43 29 4f 00 02 69 6e 63 68 69 00 76 | OC(=O)C(C(C1C)(C)O)(C)O..inchi.v |
1a060 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 36 48 32 33 4e 4f 36 2f 63 31 2d 39 2d 31 33 28 31 38 | ...InChI=1S/C16H23NO6/c1-9-13(18 |
1a080 | 29 32 33 2d 31 31 2d 35 2d 37 2d 31 37 2d 36 2d 34 2d 31 30 28 31 32 28 31 31 29 31 37 29 38 2d | )23-11-5-7-17-6-4-10(12(11)17)8- |
1a0a0 | 32 32 2d 31 34 28 31 39 29 31 36 28 33 2c 32 31 29 31 35 28 39 2c 32 29 32 30 2f 68 34 2c 39 2c | 22-14(19)16(3,21)15(9,2)20/h4,9, |
1a0c0 | 31 31 2d 31 32 2c 32 30 2d 32 31 48 2c 35 2d 38 48 32 2c 31 2d 33 48 33 00 09 75 70 64 61 74 65 | 11-12,20-21H,5-8H2,1-3H3..update |
1a0e0 | 64 5f 61 74 00 e3 f0 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e1 f0 5e 46 50 01 00 | d_at...^FP....created_at...^FP.. |
1a100 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 | ..default_fingerprint_size...... |
1a120 | 7b 04 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 82 04 77 61 72 6e 69 6e 67 73 00 05 | {...._id.V..f+r.+@....warnings.. |
1a140 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 4f 03 00 00 04 4d 50 32 44 00 44 03 00 00 | .....fingerprints.O....MP2D.D... |
1a160 | 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 38 3b 31 | .0.....1;1-1-8;2-1-3;..1.....8;1 |
1a180 | 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 1b 00 00 00 33 3b 31 2d 32 2d 33 | -1-1;1-1-3;2-2-3;..2.....3;1-2-3 |
1a1a0 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 | ;1-1-8;2-1-1;2-3-3;..3.....3;1-2 |
1a1c0 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b 00 02 34 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | -3;2-2-3;2-2-8;..4.....3;1-2-3;1 |
1a1e0 | 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 21 00 00 00 38 3b 31 2d 31 2d 31 | -1-8;2-2-1;2-2-3;..5.!...8;1-1-1 |
1a200 | 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 36 00 21 00 00 | ;1-1-3;2-1-1;2-2-3;2-1-9;..6.!.. |
1a220 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 | .1;1-1-1;1-1-8;1-1-9;2-2-2;2-2-3 |
1a240 | 3b 00 02 37 00 2d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 | ;..7.-...1;1-1-1;1-1-2;1-1-3;2-1 |
1a260 | 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 38 00 2d 00 00 00 33 3b 31 | -2;2-2-3;2-1-8;2-1-9;..8.-...3;1 |
1a280 | 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 | -1-1;1-2-3;2-1-1;2-1-2;2-2-3;2-1 |
1a2a0 | 2d 38 3b 32 2d 31 2d 39 3b 00 02 39 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 | -8;2-1-9;..9.....3;1-2-3;1-1-9;2 |
1a2c0 | 2d 31 2d 31 3b 32 2d 34 2d 33 3b 00 02 31 30 00 21 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 31 2d | -1-1;2-4-3;..10.!...3;1-3-3;2-1- |
1a2e0 | 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 31 00 21 00 00 00 33 3b 31 | 1;2-3-3;2-1-8;2-1-9;..11.!...3;1 |
1a300 | 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 02 31 | -1-1;1-2-3;2-1-1;2-1-2;2-3-3;..1 |
1a320 | 32 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b | 2.....1;1-1-1;1-1-3;2-1-2;2-2-3; |
1a340 | 00 02 31 33 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 | ..13.....1;1-1-1;1-1-2;2-2-3;2-1 |
1a360 | 2d 39 3b 00 02 31 34 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b | -9;..14.!...2;1-1-1;1-1-3;1-1-9; |
1a380 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 35 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 | 2-1-1;2-2-3;..15.....9;1-1-2;2-1 |
1a3a0 | 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 36 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b | -1;2-1-3;..16.!...3;1-1-2;1-2-3; |
1a3c0 | 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 33 2d 39 3b 00 02 31 37 00 1b 00 00 00 33 3b 31 2d 31 | 2-2-1;2-1-3;2-3-9;..17.....3;1-1 |
1a3e0 | 2d 33 3b 31 2d 32 2d 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 38 00 15 00 00 00 39 3b | -3;1-2-9;2-1-2;2-2-3;..18.....9; |
1a400 | 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 39 00 15 00 00 00 39 3b 31 2d 32 | 1-1-3;2-1-3;2-1-9;..19.....9;1-2 |
1a420 | 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 30 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b | -3;2-3-3;2-1-9;..20.!...2;1-1-1; |
1a440 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 31 00 15 00 00 | 1-1-2;2-1-1;2-1-3;2-1-9;..21.... |
1a460 | 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 00 02 32 32 00 21 00 00 00 39 3b | .2;1-1-2;1-1-9;2-2-1;..22.!...9; |
1a480 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 00 | 1-1-1;1-1-2;2-1-1;2-1-2;2-1-8;.. |
1a4a0 | 00 02 73 6d 69 6c 65 73 00 2b 00 00 00 43 4f 63 31 63 63 32 4f 43 33 43 28 63 32 63 32 63 31 63 | ..smiles.+...COc1cc2OC3C(c2c2c1c |
1a4c0 | 31 43 43 43 28 3d 4f 29 63 31 63 28 3d 4f 29 6f 32 29 43 3d 43 4f 33 00 02 69 6e 63 68 69 00 71 | 1CCC(=O)c1c(=O)o2)C=CO3..inchi.q |
1a4e0 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 37 48 31 32 4f 36 2f 63 31 2d 32 30 2d 31 30 2d 36 2d | ...InChI=1S/C17H12O6/c1-20-10-6- |
1a500 | 31 31 2d 31 34 28 38 2d 34 2d 35 2d 32 31 2d 31 37 28 38 29 32 32 2d 31 31 29 31 35 2d 31 33 28 | 11-14(8-4-5-21-17(8)22-11)15-13( |
1a520 | 31 30 29 37 2d 32 2d 33 2d 39 28 31 38 29 31 32 28 37 29 31 36 28 31 39 29 32 33 2d 31 35 2f 68 | 10)7-2-3-9(18)12(7)16(19)23-15/h |
1a540 | 34 2d 36 2c 38 2c 31 37 48 2c 32 2d 33 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 | 4-6,8,17H,2-3H2,1H3..updated_at. |
1a560 | ee f0 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 eb f0 5e 46 50 01 00 00 10 64 65 66 | ..^FP....created_at...^FP....def |
1a580 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 24 04 00 00 07 | ault_fingerprint_size......$.... |
1a5a0 | 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 83 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..f+r.+@....warnings....... |
1a5c0 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 01 03 00 00 04 4d 50 32 44 00 f6 02 00 00 02 30 00 0f 00 | fingerprints......MP2D......0... |
1a5e0 | 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b | ..1;1-1-3;2-2-3;..1.....3;1-1-1; |
1a600 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 1-2-3;2-2-3;..2.....3;1-2-3;2-1- |
1a620 | 31 3b 32 2d 32 2d 33 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | 1;2-2-3;..3.....3;1-2-3;2-2-3;2- |
1a640 | 31 2d 31 39 3b 00 02 34 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d | 1-19;..4.#...3;1-2-3;1-1-19;2-2- |
1a660 | 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 35 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 3;2-1-6;2-1-19;..5.#...3;1-2-3;1 |
1a680 | 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 36 00 1c 00 00 | -1-19;2-2-3;2-2-9;2-1-19;..6.... |
1a6a0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 | .3;1-2-3;2-1-1;2-2-3;2-1-19;..7. |
1a6c0 | 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 38 00 16 00 00 | ....19;1-1-3;1-2-9;2-2-3;..8.... |
1a6e0 | 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 39 00 16 00 00 00 39 3b | .9;1-1-19;2-1-3;2-1-9;..9.....9; |
1a700 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 30 00 1c 00 00 00 31 39 3b 31 | 1-1-19;2-1-3;2-1-9;..10.....19;1 |
1a720 | 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 31 00 1c 00 00 00 | -1-3;1-1-6;2-1-2;2-2-3;..11..... |
1a740 | 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 32 00 | 6;1-1-2;1-1-19;2-1-2;2-2-3;..12. |
1a760 | 2e 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d | ....2;1-1-2;1-1-3;1-1-6;2-1-2;2- |
1a780 | 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 21 00 00 00 32 3b 31 2d 32 2d | 2-3;2-1-9;2-1-19;..13.!...2;1-2- |
1a7a0 | 32 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 34 00 0f | 2;1-1-9;2-1-2;2-1-3;2-1-6;..14.. |
1a7c0 | 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 02 31 35 00 1b 00 00 00 32 3b 31 2d 32 2d | ...9;1-1-2;2-2-2;..15.....2;1-2- |
1a7e0 | 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 36 00 1b 00 00 00 32 3b 31 | 2;2-1-2;2-1-3;2-1-9;..16.....2;1 |
1a800 | 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 37 00 1b 00 00 00 | -1-2;1-1-3;2-1-2;2-2-3;..17..... |
1a820 | 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 38 00 21 | 3;1-1-2;1-2-3;2-2-2;2-2-3;..18.! |
1a840 | 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 | ...3;1-1-2;1-2-3;2-2-2;2-2-3;2-1 |
1a860 | 2d 36 3b 00 02 31 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b | -6;..19.....3;1-2-3;2-1-2;2-2-3; |
1a880 | 00 02 32 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 31 00 0f 00 00 00 | ..20.....3;1-2-3;2-2-3;..21..... |
1a8a0 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-2-3;2-2-3;..22.....3;1-2-3;2 |
1a8c0 | 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 2b 00 00 00 43 63 31 63 63 63 | -1-2;2-2-3;....smiles.+...Cc1ccc |
1a8e0 | 28 63 28 63 31 29 4e 28 3d 4f 29 3d 4f 29 4e 4e 3d 43 31 43 28 3d 4f 29 43 3d 43 63 32 63 31 63 | (c(c1)N(=O)=O)NN=C1C(=O)C=Cc2c1c |
1a900 | 63 63 63 32 00 02 69 6e 63 68 69 00 68 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 37 48 31 33 4e | ccc2..inchi.h...InChI=1S/C17H13N |
1a920 | 33 4f 33 2f 63 31 2d 31 31 2d 36 2d 38 2d 31 34 28 31 35 28 31 30 2d 31 31 29 32 30 28 32 32 29 | 3O3/c1-11-6-8-14(15(10-11)20(22) |
1a940 | 32 33 29 31 38 2d 31 39 2d 31 37 2d 31 33 2d 35 2d 33 2d 32 2d 34 2d 31 32 28 31 33 29 37 2d 39 | 23)18-19-17-13-5-3-2-4-12(13)7-9 |
1a960 | 2d 31 36 28 31 37 29 32 31 2f 68 32 2d 31 30 2c 31 38 48 2c 31 48 33 00 09 75 70 64 61 74 65 64 | -16(17)21/h2-10,18H,1H3..updated |
1a980 | 5f 61 74 00 f7 f0 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f5 f0 5e 46 50 01 00 00 | _at...^FP....created_at...^FP... |
1a9a0 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 79 | .default_fingerprint_size......y |
1a9c0 | 04 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 84 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..f+r.+@....warnings... |
1a9e0 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 49 03 00 00 04 4d 50 32 44 00 3e 03 00 00 02 | ....fingerprints.I....MP2D.>.... |
1aa00 | 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 38 3b 31 2d | 0.....1;1-1-8;2-1-3;..1.....8;1- |
1aa20 | 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b | 1-1;1-1-3;2-2-3;..2.....3;1-2-3; |
1aa40 | 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d | 1-1-8;2-1-1;2-3-3;..3.....3;1-2- |
1aa60 | 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b 00 02 34 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 3;2-2-3;2-2-8;..4.....3;1-2-3;1- |
1aa80 | 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b | 1-8;2-2-1;2-2-3;..5.!...8;1-1-1; |
1aaa0 | 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 36 00 21 00 00 00 | 1-1-3;2-1-1;2-2-3;2-1-9;..6.!... |
1aac0 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b | 1;1-1-1;1-1-8;1-1-9;2-2-2;2-2-3; |
1aae0 | 00 02 37 00 2d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d | ..7.-...1;1-1-1;1-1-2;1-1-3;2-1- |
1ab00 | 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 38 00 2d 00 00 00 33 3b 31 2d | 2;2-2-3;2-1-8;2-1-9;..8.-...3;1- |
1ab20 | 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 1-1;1-2-3;2-1-1;2-1-2;2-2-3;2-1- |
1ab40 | 38 3b 32 2d 31 2d 39 3b 00 02 39 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d | 8;2-1-9;..9.....3;1-2-3;1-1-9;2- |
1ab60 | 31 2d 31 3b 32 2d 34 2d 33 3b 00 02 31 30 00 21 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 31 2d 31 | 1-1;2-4-3;..10.!...3;1-3-3;2-1-1 |
1ab80 | 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 31 00 1b 00 00 00 33 3b 31 2d | ;2-3-3;2-1-8;2-1-9;..11.....3;1- |
1aba0 | 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 33 2d 33 3b 00 02 31 32 00 1b 00 00 00 31 | 1-1;1-2-3;2-2-1;2-3-3;..12.....1 |
1abc0 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 33 00 15 00 | ;1-1-1;1-1-3;2-1-1;2-2-3;..13... |
1abe0 | 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 34 00 21 00 00 00 31 | ..1;1-2-1;2-2-3;2-1-8;..14.!...1 |
1ac00 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | ;1-1-1;1-1-3;1-1-8;2-1-1;2-2-3;. |
1ac20 | 02 31 35 00 27 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d | .15.'...3;1-1-1;1-2-3;2-2-1;2-1- |
1ac40 | 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 31 36 00 1b 00 00 00 33 3b 31 2d 31 2d 33 3b 31 | 3;2-1-8;2-2-9;..16.....3;1-1-3;1 |
1ac60 | 2d 32 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 37 00 15 00 00 00 39 3b 31 2d 31 2d | -2-9;2-1-1;2-2-3;..17.....9;1-1- |
1ac80 | 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 38 00 15 00 00 00 39 3b 31 2d 32 2d 33 3b 32 | 3;2-1-3;2-1-9;..18.....9;1-2-3;2 |
1aca0 | 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 39 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d | -3-3;2-1-9;..19.....8;1-1-1;2-1- |
1acc0 | 31 3b 32 2d 31 2d 33 3b 00 02 32 30 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 | 1;2-1-3;..20.!...2;1-1-1;1-1-2;2 |
1ace0 | 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 31 00 15 00 00 00 32 3b 31 2d 31 2d | -1-1;2-1-3;2-1-9;..21.....2;1-1- |
1ad00 | 32 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 00 02 32 32 00 21 00 00 00 39 3b 31 2d 31 2d 31 3b 31 | 2;1-1-9;2-2-1;..22.!...9;1-1-1;1 |
1ad20 | 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 | -1-2;2-1-1;2-1-2;2-1-8;....smile |
1ad40 | 73 00 2a 00 00 00 43 4f 63 31 63 63 32 4f 43 33 43 28 63 32 63 32 63 31 63 31 43 43 43 28 63 31 | s.*...COc1cc2OC3C(c2c2c1c1CCC(c1 |
1ad60 | 63 28 3d 4f 29 6f 32 29 4f 29 43 3d 43 4f 33 00 02 69 6e 63 68 69 00 76 00 00 00 49 6e 43 68 49 | c(=O)o2)O)C=CO3..inchi.v...InChI |
1ad80 | 3d 31 53 2f 43 31 37 48 31 34 4f 36 2f 63 31 2d 32 30 2d 31 30 2d 36 2d 31 31 2d 31 34 28 38 2d | =1S/C17H14O6/c1-20-10-6-11-14(8- |
1ada0 | 34 2d 35 2d 32 31 2d 31 37 28 38 29 32 32 2d 31 31 29 31 35 2d 31 33 28 31 30 29 37 2d 32 2d 33 | 4-5-21-17(8)22-11)15-13(10)7-2-3 |
1adc0 | 2d 39 28 31 38 29 31 32 28 37 29 31 36 28 31 39 29 32 33 2d 31 35 2f 68 34 2d 36 2c 38 2d 39 2c | -9(18)12(7)16(19)23-15/h4-6,8-9, |
1ade0 | 31 37 2d 31 38 48 2c 32 2d 33 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 01 f1 5e | 17-18H,2-3H2,1H3..updated_at...^ |
1ae00 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ff f0 5e 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at...^FP....defaul |
1ae20 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 7a 03 00 00 07 5f 69 64 | t_fingerprint_size......z...._id |
1ae40 | 00 56 16 1c 66 2b 72 ed 2b 40 00 00 85 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..f+r.+@....warnings.......fin |
1ae60 | 67 65 72 70 72 69 6e 74 73 00 66 02 00 00 04 4d 50 32 44 00 5b 02 00 00 02 30 00 16 00 00 00 31 | gerprints.f....MP2D.[....0.....1 |
1ae80 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 00 22 00 00 00 32 3b 31 2d | ;1-1-2;2-1-9;2-1-28;..1."...2;1- |
1aea0 | 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 32 | 1-1;1-1-9;1-1-28;2-1-2;2-1-3;..2 |
1aec0 | 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 33 00 22 00 | .....9;1-1-2;2-1-1;2-1-28;..3.". |
1aee0 | 00 00 32 38 3b 31 2d 32 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 | ..28;1-2-2;1-1-3;2-2-1;2-2-3;2-2 |
1af00 | 2d 39 3b 00 02 34 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b | -9;..4."...3;1-2-3;1-1-28;2-1-1; |
1af20 | 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-2-2;2-2-3;..5.....3;1-2-3;2-2- |
1af40 | 33 3b 32 2d 31 2d 32 38 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | 3;2-1-28;..6.....3;1-2-3;2-2-3;. |
1af60 | 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 | .7.....3;1-2-3;2-3-3;..8.....3;1 |
1af80 | 2d 33 2d 33 3b 32 2d 31 2d 31 3b 32 2d 34 2d 33 3b 00 02 39 00 1c 00 00 00 33 3b 31 2d 31 2d 31 | -3-3;2-1-1;2-4-3;..9.....3;1-1-1 |
1afa0 | 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 0f 00 00 00 31 3b 31 | ;1-2-3;2-4-3;2-1-28;..10.....1;1 |
1afc0 | 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d | -2-3;2-4-3;..11.....3;1-1-1;1-2- |
1afe0 | 33 3b 32 2d 34 2d 33 3b 00 02 31 32 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 31 2d 31 3b 32 | 3;2-4-3;..12.....3;1-3-3;2-1-1;2 |
1b000 | 2d 34 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 34 | -4-3;..13.....3;1-2-3;2-3-3;..14 |
1b020 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d | .....3;1-2-3;2-2-3;..15.....3;1- |
1b040 | 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 | 2-3;2-2-3;..16.....3;1-2-3;2-1-1 |
1b060 | 3b 32 2d 32 2d 33 3b 00 02 31 37 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d | ;2-2-3;..17."...2;1-1-1;1-1-9;1- |
1b080 | 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 38 00 16 00 00 00 39 3b 31 2d 31 2d | 1-28;2-1-2;2-1-3;..18.....9;1-1- |
1b0a0 | 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 39 00 16 00 00 00 31 3b 31 2d 31 2d 32 3b | 2;2-1-1;2-1-28;..19.....1;1-1-2; |
1b0c0 | 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 23 00 00 00 43 43 28 3d | 2-1-9;2-1-28;....smiles.#...CC(= |
1b0e0 | 4f 29 4e 28 63 31 63 63 63 63 32 63 31 43 63 31 63 32 63 63 63 63 31 29 43 28 3d 4f 29 43 00 02 | O)N(c1cccc2c1Cc1c2cccc1)C(=O)C.. |
1b100 | 69 6e 63 68 69 00 61 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 37 48 31 35 4e 4f 32 2f 63 31 2d | inchi.a...InChI=1S/C17H15NO2/c1- |
1b120 | 31 31 28 31 39 29 31 38 28 31 32 28 32 29 32 30 29 31 37 2d 39 2d 35 2d 38 2d 31 35 2d 31 34 2d | 11(19)18(12(2)20)17-9-5-8-15-14- |
1b140 | 37 2d 34 2d 33 2d 36 2d 31 33 28 31 34 29 31 30 2d 31 36 28 31 35 29 31 37 2f 68 33 2d 39 48 2c | 7-4-3-6-13(14)10-16(15)17/h3-9H, |
1b160 | 31 30 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 0a f1 5e 46 50 01 00 00 09 | 10H2,1-2H3..updated_at...^FP.... |
1b180 | 63 72 65 61 74 65 64 5f 61 74 00 08 f1 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at...^FP....default_fing |
1b1a0 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 91 03 00 00 07 5f 69 64 00 56 16 1c 66 2b | erprint_size..........._id.V..f+ |
1b1c0 | 72 ed 2b 40 00 00 86 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.+@....warnings.......fingerpri |
1b1e0 | 6e 74 73 00 7d 02 00 00 04 4d 50 32 44 00 72 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 | nts.}....MP2D.r....0.....1;1-1-8 |
1b200 | 3b 32 2d 31 2d 32 3b 00 02 31 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 | ;2-1-2;..1.....8;1-1-1;1-1-2;2-1 |
1b220 | 2d 31 3b 32 2d 31 2d 39 3b 00 02 32 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 | -1;2-1-9;..2.!...2;1-1-1;1-1-8;1 |
1b240 | 2d 31 2d 39 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 00 15 00 00 00 39 3b 31 2d 31 2d 32 | -1-9;2-3-1;2-1-8;..3.....9;1-1-2 |
1b260 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 00 27 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 | ;2-1-1;2-1-8;..4.'...1;1-2-1;1-1 |
1b280 | 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 00 21 | -2;1-1-8;2-1-3;2-1-8;2-1-9;..5.! |
1b2a0 | 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 | ...8;1-1-1;1-1-3;2-2-1;2-1-2;2-2 |
1b2c0 | 2d 33 3b 00 02 36 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 | -3;..6.....3;1-2-3;1-1-8;2-1-1;2 |
1b2e0 | 2d 32 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 | -2-3;..7.....3;1-2-3;2-2-3;2-1-8 |
1b300 | 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 39 00 0f 00 00 00 33 | ;..8.....3;1-2-3;2-3-3;..9.....3 |
1b320 | 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;1-3-3;2-4-3;..10.....3;1-2-3;2- |
1b340 | 33 2d 33 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 | 3-3;..11.....3;1-2-3;2-2-3;2-1-8 |
1b360 | 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 33 00 0f 00 00 | ;..12.....3;1-3-3;2-4-3;..13.... |
1b380 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | .3;1-2-3;2-3-3;..14.....3;1-2-3; |
1b3a0 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 2-2-3;2-1-15;..15.....3;1-2-3;1- |
1b3c0 | 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 31 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 1-15;2-2-3;..16.....3;1-2-3;2-2- |
1b3e0 | 33 3b 32 2d 31 2d 31 35 3b 00 02 31 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b | 3;2-1-15;..17.....3;1-2-3;2-3-3; |
1b400 | 00 02 31 38 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 39 00 1b 00 00 | ..18.....15;1-1-3;2-2-3;..19.... |
1b420 | 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 30 00 | .1;1-1-1;2-1-1;2-1-2;2-1-8;..20. |
1b440 | 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 00 | ....1;1-1-1;2-1-1;2-1-2;2-1-8;.. |
1b460 | 00 02 73 6d 69 6c 65 73 00 26 00 00 00 43 4f 43 28 3d 4f 29 43 28 4f 63 31 63 63 63 28 63 63 31 | ..smiles.&...COC(=O)C(Oc1ccc(cc1 |
1b480 | 29 63 31 63 63 63 28 63 63 31 29 43 6c 29 28 43 29 43 00 02 69 6e 63 68 69 00 5e 00 00 00 49 6e | )c1ccc(cc1)Cl)(C)C..inchi.^...In |
1b4a0 | 43 68 49 3d 31 53 2f 43 31 37 48 31 37 43 6c 4f 33 2f 63 31 2d 31 37 28 32 2c 31 36 28 31 39 29 | ChI=1S/C17H17ClO3/c1-17(2,16(19) |
1b4c0 | 32 30 2d 33 29 32 31 2d 31 35 2d 31 30 2d 36 2d 31 33 28 37 2d 31 31 2d 31 35 29 31 32 2d 34 2d | 20-3)21-15-10-6-13(7-11-15)12-4- |
1b4e0 | 38 2d 31 34 28 31 38 29 39 2d 35 2d 31 32 2f 68 34 2d 31 31 48 2c 31 2d 33 48 33 00 09 75 70 64 | 8-14(18)9-5-12/h4-11H,1-3H3..upd |
1b500 | 61 74 65 64 5f 61 74 00 13 f1 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 11 f1 5e 46 | ated_at...^FP....created_at...^F |
1b520 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
1b540 | 00 00 00 a6 04 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 87 04 77 61 72 6e 69 6e 67 | ........_id.V..f+r.+@....warning |
1b560 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 71 03 00 00 04 4d 50 32 44 00 66 | s.......fingerprints.q....MP2D.f |
1b580 | 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 | ....0.....1;1-1-8;2-1-3;..1..... |
1b5a0 | 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 1b 00 00 00 33 3b 31 2d | 8;1-1-1;1-1-3;2-2-3;..2.....3;1- |
1b5c0 | 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 15 00 00 00 33 3b | 2-3;1-1-8;2-1-1;2-2-3;..3.....3; |
1b5e0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 32 2d | 1-2-3;2-2-3;2-1-8;..4.....3;1-2- |
1b600 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 35 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 3;2-2-3;2-1-11;..5.....3;1-2-3;1 |
1b620 | 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 36 00 24 00 00 00 33 3b 31 2d 32 | -1-11;2-3-3;2-1-11;..6.$...3;1-2 |
1b640 | 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 02 | -3;1-1-11;2-3-3;2-1-11;2-1-13;.. |
1b660 | 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 | 7.....3;1-2-3;2-2-3;2-1-8;2-1-11 |
1b680 | 3b 00 02 38 00 25 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 32 2d 33 3b 32 | ;..8.%...11;1-2-3;1-1-13;2-2-3;2 |
1b6a0 | 2d 31 2d 31 31 3b 32 2d 31 2d 32 39 3b 00 02 39 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 | -1-11;2-1-29;..9.....13;1-1-11;2 |
1b6c0 | 2d 32 2d 33 3b 00 02 31 30 00 2a 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 32 39 3b 32 2d | -2-3;..10.*...3;1-2-11;1-1-29;2- |
1b6e0 | 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 33 3b 00 02 31 31 00 1e 00 00 00 | 1-1;2-2-3;2-1-9;2-1-13;..11..... |
1b700 | 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 32 39 3b 00 02 31 | 11;1-2-3;2-2-3;2-1-11;2-1-29;..1 |
1b720 | 32 00 23 00 00 00 32 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 31 2d 33 | 2.#...29;1-1-1;1-1-3;1-1-9;2-1-3 |
1b740 | 3b 32 2d 32 2d 31 31 3b 00 02 31 33 00 16 00 00 00 39 3b 31 2d 31 2d 32 39 3b 32 2d 31 2d 31 3b | ;2-2-11;..13.....9;1-1-29;2-1-1; |
1b760 | 32 2d 31 2d 33 3b 00 02 31 34 00 23 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 32 39 3b 32 2d | 2-1-3;..14.#...1;1-1-3;1-1-29;2- |
1b780 | 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 31 35 00 29 00 00 00 33 3b 31 2d 31 2d | 2-3;2-1-9;2-1-11;..15.)...3;1-1- |
1b7a0 | 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 | 1;1-1-3;1-1-11;2-1-1;2-2-3;2-1-2 |
1b7c0 | 39 3b 00 02 31 36 00 16 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | 9;..16.....11;1-2-3;2-1-1;2-2-3; |
1b7e0 | 00 02 31 37 00 1c 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d | ..17.....3;1-1-3;1-1-11;2-1-1;2- |
1b800 | 32 2d 33 3b 00 02 31 38 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 | 2-3;..18."...3;1-1-1;1-2-3;2-1-3 |
1b820 | 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 31 39 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | ;2-1-8;2-1-11;..19.....3;1-2-3;1 |
1b840 | 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 30 00 28 00 00 00 33 3b 31 2d 31 2d | -1-8;2-3-1;2-2-3;..20.(...3;1-1- |
1b860 | 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 | 1;1-2-3;2-1-1;2-1-3;2-1-8;2-1-11 |
1b880 | 3b 00 02 32 31 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 32 00 15 00 00 | ;..21.....1;1-1-3;2-2-3;..22.... |
1b8a0 | 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 33 00 0f 00 00 00 31 3b | .8;1-1-1;1-1-3;2-2-3;..23.....1; |
1b8c0 | 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 32 34 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 | 1-1-8;2-1-3;..24.....1;1-1-3;2-2 |
1b8e0 | 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 2d 00 00 00 43 4f 63 31 63 63 63 32 63 28 63 31 29 5b | -3;....smiles.-...COc1ccc2c(c1)[ |
1b900 | 6e 48 5d 63 28 6e 32 29 53 28 3d 4f 29 43 63 31 6e 63 63 28 63 28 63 31 43 29 4f 43 29 43 00 02 | nH]c(n2)S(=O)Cc1ncc(c(c1C)OC)C.. |
1b920 | 69 6e 63 68 69 00 78 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 37 48 31 39 4e 33 4f 33 53 2f 63 | inchi.x...InChI=1S/C17H19N3O3S/c |
1b940 | 31 2d 31 30 2d 38 2d 31 38 2d 31 35 28 31 31 28 32 29 31 36 28 31 30 29 32 33 2d 34 29 39 2d 32 | 1-10-8-18-15(11(2)16(10)23-4)9-2 |
1b960 | 34 28 32 31 29 31 37 2d 31 39 2d 31 33 2d 36 2d 35 2d 31 32 28 32 32 2d 33 29 37 2d 31 34 28 31 | 4(21)17-19-13-6-5-12(22-3)7-14(1 |
1b980 | 33 29 32 30 2d 31 37 2f 68 35 2d 38 48 2c 39 48 32 2c 31 2d 34 48 33 2c 28 48 2c 31 39 2c 32 30 | 3)20-17/h5-8H,9H2,1-4H3,(H,19,20 |
1b9a0 | 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 1c f1 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | )..updated_at...^FP....created_a |
1b9c0 | 74 00 1a f1 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t...^FP....default_fingerprint_s |
1b9e0 | 69 7a 65 00 00 00 00 00 00 76 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 88 04 77 | ize......v...._id.V..f+r.+@....w |
1ba00 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 68 02 00 00 04 | arnings.......fingerprints.h.... |
1ba20 | 4d 50 32 44 00 5d 02 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 | MP2D.]....0.....1;1-1-19;2-1-1;2 |
1ba40 | 2d 31 2d 33 3b 00 02 31 00 16 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d | -1-3;..1.....19;1-2-1;1-1-3;2-2- |
1ba60 | 33 3b 00 02 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 | 3;..2.....3;1-2-3;1-1-19;2-2-1;2 |
1ba80 | 2d 32 2d 33 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | -2-3;..3.....3;1-2-3;2-2-3;2-1-1 |
1baa0 | 39 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 | 9;..4.....3;1-2-3;2-1-2;2-2-3;.. |
1bac0 | 35 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b | 5.....3;1-1-2;1-2-3;2-3-3;2-1-9; |
1bae0 | 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 | ..6.....3;1-2-3;2-1-2;2-2-3;..7. |
1bb00 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 38 00 15 00 00 | ....3;1-2-3;2-2-3;2-1-19;..8.... |
1bb20 | 00 32 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 34 2d 33 3b 00 02 39 00 0f 00 00 00 39 3b 31 | .2;1-2-3;1-1-9;2-4-3;..9.....9;1 |
1bb40 | 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 30 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d | -1-2;2-2-3;..10.....3;1-1-2;1-2- |
1bb60 | 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;2-3-3;2-1-9;..11.....3;1-2-3;2 |
1bb80 | 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -1-2;2-2-3;..12.....3;1-2-3;2-2- |
1bba0 | 33 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 | 3;2-1-19;..13.....3;1-2-3;1-1-19 |
1bbc0 | 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-1;2-2-3;..14.....3;1-2-3;2- |
1bbe0 | 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 2-3;2-1-19;..15.....3;1-2-3;2-1- |
1bc00 | 32 3b 32 2d 32 2d 33 3b 00 02 31 36 00 16 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b | 2;2-2-3;..16.....19;1-2-1;1-1-3; |
1bc20 | 32 2d 32 2d 33 3b 00 02 31 37 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d | 2-2-3;..17.....1;1-1-19;2-1-1;2- |
1bc40 | 31 2d 33 3b 00 02 31 38 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d | 1-3;..18.....1;1-1-19;2-1-1;2-1- |
1bc60 | 33 3b 00 02 31 39 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b | 3;..19.....1;1-1-19;2-1-1;2-1-3; |
1bc80 | 00 00 00 02 73 6d 69 6c 65 73 00 24 00 00 00 43 4e 28 63 31 63 63 63 28 63 63 31 29 43 28 3d 4f | ....smiles.$...CN(c1ccc(cc1)C(=O |
1bca0 | 29 63 31 63 63 63 28 63 63 31 29 4e 28 43 29 43 29 43 00 02 69 6e 63 68 69 00 5a 00 00 00 49 6e | )c1ccc(cc1)N(C)C)C..inchi.Z...In |
1bcc0 | 43 68 49 3d 31 53 2f 43 31 37 48 32 30 4e 32 4f 2f 63 31 2d 31 38 28 32 29 31 35 2d 39 2d 35 2d | ChI=1S/C17H20N2O/c1-18(2)15-9-5- |
1bce0 | 31 33 28 36 2d 31 30 2d 31 35 29 31 37 28 32 30 29 31 34 2d 37 2d 31 31 2d 31 36 28 31 32 2d 38 | 13(6-10-15)17(20)14-7-11-16(12-8 |
1bd00 | 2d 31 34 29 31 39 28 33 29 34 2f 68 35 2d 31 32 48 2c 31 2d 34 48 33 00 09 75 70 64 61 74 65 64 | -14)19(3)4/h5-12H,1-4H3..updated |
1bd20 | 5f 61 74 00 25 f1 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 23 f1 5e 46 50 01 00 00 | _at.%.^FP....created_at.#.^FP... |
1bd40 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 78 | .default_fingerprint_size......x |
1bd60 | 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 89 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..f+r.+@....warnings... |
1bd80 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 68 02 00 00 04 4d 50 32 44 00 5d 02 00 00 02 | ....fingerprints.h....MP2D.].... |
1bda0 | 30 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 00 16 | 0.....1;1-1-19;2-1-1;2-1-3;..1.. |
1bdc0 | 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 1c 00 00 00 | ...19;1-2-1;1-1-3;2-2-3;..2..... |
1bde0 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 16 | 3;1-2-3;1-1-19;2-2-1;2-2-3;..3.. |
1be00 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 34 00 15 00 00 00 | ...3;1-2-3;2-2-3;2-1-19;..4..... |
1be20 | 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 35 00 1b 00 00 00 33 3b 31 2d | 3;1-2-3;2-1-2;2-2-3;..5.....3;1- |
1be40 | 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 36 3b 00 02 36 00 15 00 00 00 33 3b | 1-2;1-2-3;2-3-3;2-1-6;..6.....3; |
1be60 | 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d | 1-2-3;2-1-2;2-2-3;..7.....3;1-2- |
1be80 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 38 00 15 00 00 00 32 3b 31 2d 32 2d 33 3b 31 | 3;2-2-3;2-1-19;..8.....2;1-2-3;1 |
1bea0 | 2d 31 2d 36 3b 32 2d 34 2d 33 3b 00 02 39 00 0f 00 00 00 36 3b 31 2d 31 2d 32 3b 32 2d 32 2d 33 | -1-6;2-4-3;..9.....6;1-1-2;2-2-3 |
1bec0 | 3b 00 02 31 30 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d | ;..10.....3;1-1-2;1-2-3;2-3-3;2- |
1bee0 | 31 2d 36 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 | 1-6;..11.....3;1-2-3;2-1-2;2-2-3 |
1bf00 | 3b 00 02 31 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 | ;..12.....3;1-2-3;2-2-3;2-1-19;. |
1bf20 | 02 31 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 | .13.....3;1-2-3;1-1-19;2-2-1;2-2 |
1bf40 | 2d 33 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 | -3;..14.....3;1-2-3;2-2-3;2-1-19 |
1bf60 | 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 | ;..15.....3;1-2-3;2-1-2;2-2-3;.. |
1bf80 | 31 36 00 16 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 37 | 16.....19;1-2-1;1-1-3;2-2-3;..17 |
1bfa0 | 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 38 00 16 | .....1;1-1-19;2-1-1;2-1-3;..18.. |
1bfc0 | 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 39 00 16 00 00 | ...1;1-1-19;2-1-1;2-1-3;..19.... |
1bfe0 | 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 | .1;1-1-19;2-1-1;2-1-3;....smiles |
1c000 | 00 24 00 00 00 43 4e 28 63 31 63 63 63 28 63 63 31 29 43 28 3d 4e 29 63 31 63 63 63 28 63 63 31 | .$...CN(c1ccc(cc1)C(=N)c1ccc(cc1 |
1c020 | 29 4e 28 43 29 43 29 43 00 02 69 6e 63 68 69 00 5c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 37 | )N(C)C)C..inchi.\...InChI=1S/C17 |
1c040 | 48 32 31 4e 33 2f 63 31 2d 31 39 28 32 29 31 35 2d 39 2d 35 2d 31 33 28 36 2d 31 30 2d 31 35 29 | H21N3/c1-19(2)15-9-5-13(6-10-15) |
1c060 | 31 37 28 31 38 29 31 34 2d 37 2d 31 31 2d 31 36 28 31 32 2d 38 2d 31 34 29 32 30 28 33 29 34 2f | 17(18)14-7-11-16(12-8-14)20(3)4/ |
1c080 | 68 35 2d 31 32 2c 31 38 48 2c 31 2d 34 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 2e f1 5e 46 | h5-12,18H,1-4H3..updated_at...^F |
1c0a0 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 2a f1 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at.*.^FP....default |
1c0c0 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 4a 03 00 00 07 5f 69 64 00 | _fingerprint_size......J...._id. |
1c0e0 | 56 16 1c 66 2b 72 ed 2b 40 00 00 8a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..f+r.+@....warnings.......fing |
1c100 | 65 72 70 72 69 6e 74 73 00 3f 02 00 00 04 4d 50 32 44 00 34 02 00 00 02 30 00 16 00 00 00 31 3b | erprints.?....MP2D.4....0.....1; |
1c120 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 00 16 00 00 00 31 39 3b 31 2d | 1-1-19;2-1-1;2-1-3;..1.....19;1- |
1c140 | 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b | 2-1;1-1-3;2-2-3;..2.....3;1-2-3; |
1c160 | 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 32 | 1-1-19;2-2-1;2-2-3;..3.....3;1-2 |
1c180 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-2-3;2-1-19;..4.....3;1-2-3; |
1c1a0 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d | 2-1-1;2-2-3;..5.....3;1-1-1;1-2- |
1c1c0 | 33 3b 32 2d 33 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | 3;2-3-3;..6.....3;1-2-3;2-1-1;2- |
1c1e0 | 32 2d 33 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 | 2-3;..7.....3;1-2-3;2-2-3;2-1-19 |
1c200 | 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 39 00 15 00 00 00 33 | ;..8.....1;1-2-3;2-4-3;..9.....3 |
1c220 | 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d | ;1-1-1;1-2-3;2-3-3;..10.....3;1- |
1c240 | 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-1-1;2-2-3;..11.....3;1-2-3 |
1c260 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | ;2-2-3;2-1-19;..12.....3;1-2-3;1 |
1c280 | 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 33 00 16 00 00 00 33 3b 31 2d 32 | -1-19;2-2-1;2-2-3;..13.....3;1-2 |
1c2a0 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 | -3;2-2-3;2-1-19;..14.....3;1-2-3 |
1c2c0 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 35 00 16 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 | ;2-1-1;2-2-3;..15.....19;1-2-1;1 |
1c2e0 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 | -1-3;2-2-3;..16.....1;1-1-19;2-1 |
1c300 | 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 37 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 | -1;2-1-3;..17.....1;1-1-19;2-1-1 |
1c320 | 3b 32 2d 31 2d 33 3b 00 02 31 38 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 | ;2-1-3;..18.....1;1-1-19;2-1-1;2 |
1c340 | 2d 31 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 20 00 00 00 43 4e 28 63 31 63 63 63 28 63 63 31 | -1-3;....smiles.....CN(c1ccc(cc1 |
1c360 | 29 43 63 31 63 63 63 28 63 63 31 29 4e 28 43 29 43 29 43 00 02 69 6e 63 68 69 00 5b 00 00 00 49 | )Cc1ccc(cc1)N(C)C)C..inchi.[...I |
1c380 | 6e 43 68 49 3d 31 53 2f 43 31 37 48 32 32 4e 32 2f 63 31 2d 31 38 28 32 29 31 36 2d 39 2d 35 2d | nChI=1S/C17H22N2/c1-18(2)16-9-5- |
1c3a0 | 31 34 28 36 2d 31 30 2d 31 36 29 31 33 2d 31 35 2d 37 2d 31 31 2d 31 37 28 31 32 2d 38 2d 31 35 | 14(6-10-16)13-15-7-11-17(12-8-15 |
1c3c0 | 29 31 39 28 33 29 34 2f 68 35 2d 31 32 48 2c 31 33 48 32 2c 31 2d 34 48 33 00 09 75 70 64 61 74 | )19(3)4/h5-12H,13H2,1-4H3..updat |
1c3e0 | 65 64 5f 61 74 00 35 f1 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 34 f1 5e 46 50 01 | ed_at.5.^FP....created_at.4.^FP. |
1c400 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
1c420 | 00 79 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 8b 04 77 61 72 6e 69 6e 67 73 00 | .y...._id.V..f+r.+@....warnings. |
1c440 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 68 02 00 00 04 4d 50 32 44 00 5d 02 00 | ......fingerprints.h....MP2D.].. |
1c460 | 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 31 00 0f 00 00 00 35 3b | ..0.....1;1-1-5;2-2-1;..1.....5; |
1c480 | 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 1-3-1;2-1-1;..2.....1;1-1-1;1-1- |
1c4a0 | 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | 5;2-2-1;2-1-8;..3.....1;1-1-1;1- |
1c4c0 | 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 34 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b | 1-8;2-1-1;2-1-5;..4.....8;1-2-1; |
1c4e0 | 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 28 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d | 2-2-1;2-2-3;..5.(...1;1-1-1;1-2- |
1c500 | 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 36 00 28 | 3;1-1-8;2-1-1;2-3-3;2-1-11;..6.( |
1c520 | 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d | ...3;1-1-1;1-1-3;1-1-11;2-1-1;2- |
1c540 | 33 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b | 3-3;2-1-8;..7.....3;1-2-3;2-1-1; |
1c560 | 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 2-1-3;2-1-11;..8.....3;1-2-3;2-2 |
1c580 | 2d 33 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b | -3;..9.....3;1-2-3;2-1-3;2-1-11; |
1c5a0 | 00 02 31 30 00 16 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 | ..10.....3;1-1-3;1-1-11;2-2-3;.. |
1c5c0 | 31 31 00 16 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 32 | 11.....11;1-2-3;2-1-1;2-2-3;..12 |
1c5e0 | 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 32 | .!...3;1-1-1;1-2-3;2-1-1;2-3-3;2 |
1c600 | 2d 31 2d 38 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | -1-8;..13.....3;1-2-3;2-1-1;2-2- |
1c620 | 33 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 0f 00 | 3;..14.....3;1-2-3;2-2-3;..15... |
1c640 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | ..3;1-2-3;2-2-3;..16.....3;1-2-3 |
1c660 | 3b 32 2d 32 2d 33 3b 00 02 31 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | ;2-2-3;..17.....3;1-2-3;2-1-1;2- |
1c680 | 32 2d 33 3b 00 02 31 38 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 | 2-3;..18.....1;1-1-1;2-2-3;2-1-8 |
1c6a0 | 3b 00 02 31 39 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c | ;..19.....1;1-1-5;2-2-1;....smil |
1c6c0 | 65 73 00 1f 00 00 00 43 4e 28 43 43 4f 43 28 63 31 63 63 63 63 6e 31 29 28 63 31 63 63 63 63 63 | es.....CN(CCOC(c1ccccn1)(c1ccccc |
1c6e0 | 31 29 43 29 43 00 02 69 6e 63 68 69 00 62 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 37 48 32 32 | 1)C)C..inchi.b...InChI=1S/C17H22 |
1c700 | 4e 32 4f 2f 63 31 2d 31 37 28 32 30 2d 31 34 2d 31 33 2d 31 39 28 32 29 33 2c 31 35 2d 39 2d 35 | N2O/c1-17(20-14-13-19(2)3,15-9-5 |
1c720 | 2d 34 2d 36 2d 31 30 2d 31 35 29 31 36 2d 31 31 2d 37 2d 38 2d 31 32 2d 31 38 2d 31 36 2f 68 34 | -4-6-10-15)16-11-7-8-12-18-16/h4 |
1c740 | 2d 31 32 48 2c 31 33 2d 31 34 48 32 2c 31 2d 33 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 3d | -12H,13-14H2,1-3H3..updated_at.= |
1c760 | f1 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 3b f1 5e 46 50 01 00 00 10 64 65 66 61 | .^FP....created_at.;.^FP....defa |
1c780 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 ae 03 00 00 07 5f | ult_fingerprint_size..........._ |
1c7a0 | 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 8c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..f+r.+@....warnings.......f |
1c7c0 | 69 6e 67 65 72 70 72 69 6e 74 73 00 99 02 00 00 04 4d 50 32 44 00 8e 02 00 00 02 30 00 0f 00 00 | ingerprints......MP2D......0.... |
1c7e0 | 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 | .1;1-1-8;2-1-3;..1.....8;1-1-1;1 |
1c800 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 | -1-3;2-2-3;..2.....3;1-2-3;1-1-8 |
1c820 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | ;2-1-1;2-2-3;..3.....3;1-2-3;2-2 |
1c840 | 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 | -3;2-1-8;..4.....3;1-2-3;2-1-1;2 |
1c860 | 2d 32 2d 33 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -2-3;..5.....3;1-1-1;1-2-3;2-2-3 |
1c880 | 3b 32 2d 31 2d 31 39 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | ;2-1-19;..6.....3;1-2-3;2-1-1;2- |
1c8a0 | 32 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b | 2-3;..7.....3;1-2-3;2-2-3;2-1-8; |
1c8c0 | 00 02 38 00 1c 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 33 | ..8.....1;1-1-3;1-1-19;2-1-1;2-3 |
1c8e0 | 2d 33 3b 00 02 39 00 23 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b | -3;..9.#...19;1-2-1;1-1-3;2-1-1; |
1c900 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d | 2-2-3;2-1-11;..10.#...3;1-1-3;1- |
1c920 | 31 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 1d 00 00 | 1-11;1-1-19;2-2-1;2-2-3;..11.... |
1c940 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 31 | .3;1-2-3;2-1-3;2-1-11;2-1-19;..1 |
1c960 | 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 16 00 00 00 33 3b 31 | 2.....3;1-2-3;2-2-3;..13.....3;1 |
1c980 | 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 31 | -2-3;2-1-3;2-1-11;..14.....3;1-1 |
1c9a0 | 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 35 00 17 00 00 00 31 31 3b 31 2d 32 2d | -3;1-1-11;2-2-3;..15.....11;1-2- |
1c9c0 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 36 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b | 3;2-2-3;2-1-19;..16."...1;1-1-1; |
1c9e0 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 35 3b 00 02 31 37 00 1c 00 | 1-1-19;2-1-1;2-1-3;2-1-5;..17... |
1ca00 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 | ..1;1-1-1;1-1-5;2-2-1;2-1-19;..1 |
1ca20 | 38 00 0f 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 39 00 0f 00 00 00 31 3b 31 | 8.....5;1-3-1;2-1-1;..19.....1;1 |
1ca40 | 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 32 30 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d | -1-5;2-2-1;..20.....1;1-1-5;2-2- |
1ca60 | 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 20 00 00 00 43 4f 63 31 63 63 63 28 63 63 31 29 43 4e 28 | 1;....smiles.....COc1ccc(cc1)CN( |
1ca80 | 63 31 63 63 63 63 6e 31 29 43 43 4e 28 43 29 43 00 02 69 6e 63 68 69 00 65 00 00 00 49 6e 43 68 | c1ccccn1)CCN(C)C..inchi.e...InCh |
1caa0 | 49 3d 31 53 2f 43 31 37 48 32 33 4e 33 4f 2f 63 31 2d 31 39 28 32 29 31 32 2d 31 33 2d 32 30 28 | I=1S/C17H23N3O/c1-19(2)12-13-20( |
1cac0 | 31 37 2d 36 2d 34 2d 35 2d 31 31 2d 31 38 2d 31 37 29 31 34 2d 31 35 2d 37 2d 39 2d 31 36 28 32 | 17-6-4-5-11-18-17)14-15-7-9-16(2 |
1cae0 | 31 2d 33 29 31 30 2d 38 2d 31 35 2f 68 34 2d 31 31 48 2c 31 32 2d 31 34 48 32 2c 31 2d 33 48 33 | 1-3)10-8-15/h4-11H,12-14H2,1-3H3 |
1cb00 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 44 f1 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.D.^FP....created_at |
1cb20 | 00 43 f1 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | .C.^FP....default_fingerprint_si |
1cb40 | 7a 65 00 00 00 00 00 00 49 04 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 8d 04 77 61 | ze......I...._id.V..f+r.+@....wa |
1cb60 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 1e 03 00 00 04 4d | rnings.......fingerprints......M |
1cb80 | 50 32 44 00 13 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 | P2D......0.....1;1-1-8;2-1-3;..1 |
1cba0 | 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 1b 00 00 | .....8;1-1-1;1-1-3;2-2-3;..2.... |
1cbc0 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 33 00 15 | .3;1-2-3;1-1-8;2-1-1;2-3-3;..3.. |
1cbe0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b 00 02 34 00 1b 00 00 00 33 | ...3;1-2-3;2-2-3;2-2-8;..4.....3 |
1cc00 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 21 00 00 | ;1-2-3;1-1-8;2-2-1;2-2-3;..5.!.. |
1cc20 | 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 | .8;1-1-1;1-1-3;2-1-1;2-2-3;2-1-9 |
1cc40 | 3b 00 02 36 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 | ;..6.!...1;1-1-1;1-1-8;1-1-9;2-2 |
1cc60 | 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 2d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 | -2;2-2-3;..7.-...1;1-1-1;1-1-2;1 |
1cc80 | 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 38 | -1-3;2-1-2;2-2-3;2-1-8;2-1-9;..8 |
1cca0 | 00 2d 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 | .-...3;1-1-1;1-2-3;2-1-1;2-1-2;2 |
1ccc0 | 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 39 00 1b 00 00 00 33 3b 31 2d 32 2d 33 | -2-3;2-1-8;2-1-9;..9.....3;1-2-3 |
1cce0 | 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 34 2d 33 3b 00 02 31 30 00 1b 00 00 00 33 3b 31 2d | ;1-1-9;2-1-1;2-4-3;..10.....3;1- |
1cd00 | 33 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 31 31 00 15 00 00 00 33 | 3-3;2-3-3;2-1-8;2-2-9;..11.....3 |
1cd20 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 34 2d 33 3b 00 02 31 32 00 0f 00 00 00 39 3b 31 2d | ;1-2-3;1-1-9;2-4-3;..12.....9;1- |
1cd40 | 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 1b 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 33 2d 33 | 1-3;2-2-3;..13.....3;1-3-3;2-3-3 |
1cd60 | 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 31 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | ;2-1-8;2-2-9;..14.....3;1-2-3;1- |
1cd80 | 31 2d 39 3b 32 2d 34 2d 33 3b 00 02 31 35 00 0f 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 | 1-9;2-4-3;..15.....9;1-2-3;2-4-3 |
1cda0 | 3b 00 02 31 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 | ;..16.....3;1-2-3;2-2-3;2-1-9;.. |
1cdc0 | 31 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 38 00 15 00 00 00 33 3b | 17.....3;1-2-3;2-2-3;..18.....3; |
1cde0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 39 00 15 00 00 00 33 3b 31 2d 32 | 1-2-3;2-2-3;2-1-8;..19.....3;1-2 |
1ce00 | 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 32 30 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b | -3;1-1-8;2-3-3;..20.....8;1-1-3; |
1ce20 | 32 2d 32 2d 33 3b 00 02 32 31 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 | 2-2-3;..21.!...2;1-1-1;1-1-2;2-1 |
1ce40 | 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 32 00 15 00 00 00 32 3b 31 2d 31 2d 32 3b | -1;2-1-3;2-1-9;..22.....2;1-1-2; |
1ce60 | 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 00 02 32 33 00 21 00 00 00 39 3b 31 2d 31 2d 31 3b 31 2d 31 | 1-1-9;2-2-1;..23.!...9;1-1-1;1-1 |
1ce80 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 | -2;2-1-1;2-1-2;2-1-8;....smiles. |
1cea0 | 2b 00 00 00 43 4f 63 31 63 63 32 4f 43 33 43 28 63 32 63 32 63 31 63 28 3d 4f 29 63 31 63 28 6f | +...COc1cc2OC3C(c2c2c1c(=O)c1c(o |
1cec0 | 32 29 63 63 63 63 31 4f 29 43 3d 43 4f 33 00 02 69 6e 63 68 69 00 70 00 00 00 49 6e 43 68 49 3d | 2)cccc1O)C=CO3..inchi.p...InChI= |
1cee0 | 31 53 2f 43 31 38 48 31 32 4f 36 2f 63 31 2d 32 31 2d 31 31 2d 37 2d 31 32 2d 31 33 28 38 2d 35 | 1S/C18H12O6/c1-21-11-7-12-13(8-5 |
1cf00 | 2d 36 2d 32 32 2d 31 38 28 38 29 32 34 2d 31 32 29 31 37 2d 31 35 28 31 31 29 31 36 28 32 30 29 | -6-22-18(8)24-12)17-15(11)16(20) |
1cf20 | 31 34 2d 39 28 31 39 29 33 2d 32 2d 34 2d 31 30 28 31 34 29 32 33 2d 31 37 2f 68 32 2d 38 2c 31 | 14-9(19)3-2-4-10(14)23-17/h2-8,1 |
1cf40 | 38 2d 31 39 48 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 4d f1 5e 46 50 01 00 00 09 63 | 8-19H,1H3..updated_at.M.^FP....c |
1cf60 | 72 65 61 74 65 64 5f 61 74 00 4b f1 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.K.^FP....default_finge |
1cf80 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 ed 04 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 | rprint_size..........._id.V..f+r |
1cfa0 | ed 2b 40 00 00 8e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .+@....warnings.......fingerprin |
1cfc0 | 74 73 00 a2 03 00 00 04 4d 50 32 44 00 97 03 00 00 02 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 | ts......MP2D......0.....32;1-1-2 |
1cfe0 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 32 3b 00 02 31 00 16 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d | ;2-1-2;2-1-32;..1.....2;1-1-2;1- |
1d000 | 32 2d 33 32 3b 32 2d 32 2d 32 3b 00 02 32 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d | 2-32;2-2-2;..2.....32;1-1-2;2-1- |
1d020 | 32 3b 32 2d 31 2d 33 32 3b 00 02 33 00 1c 00 00 00 32 3b 31 2d 33 2d 32 3b 32 2d 32 2d 32 3b 32 | 2;2-1-32;..3.....2;1-3-2;2-2-2;2 |
1d040 | 2d 31 2d 39 3b 32 2d 32 2d 33 32 3b 00 02 34 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 33 2d | -1-9;2-2-32;..4.....2;1-2-2;2-3- |
1d060 | 32 3b 32 2d 31 2d 36 3b 00 02 35 00 1c 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 36 3b 32 2d | 2;2-1-6;..5.....2;1-2-2;1-1-6;2- |
1d080 | 32 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 36 00 1c 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 | 2-2;2-1-19;..6.....6;1-1-2;1-1-1 |
1d0a0 | 39 3b 32 2d 32 2d 32 3b 32 2d 31 2d 33 3b 00 02 37 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 | 9;2-2-2;2-1-3;..7.....19;1-1-3;1 |
1d0c0 | 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 38 00 1c 00 00 00 33 3b 31 2d 32 2d 33 | -1-6;2-1-2;2-2-3;..8.....3;1-2-3 |
1d0e0 | 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 39 00 16 00 00 00 33 3b 31 2d | ;1-1-19;2-2-3;2-1-6;..9.....3;1- |
1d100 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d | 2-3;2-2-3;2-1-19;..10.....3;1-2- |
1d120 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 31 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b | 3;2-2-3;2-1-30;..11.#...3;1-2-3; |
1d140 | 31 2d 31 2d 33 30 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 32 00 16 | 1-1-30;2-2-3;2-2-9;2-1-19;..12.. |
1d160 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 33 00 16 00 00 | ...3;1-2-3;2-2-3;2-1-30;..13.... |
1d180 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 34 00 1d 00 00 00 33 | .3;1-2-3;2-2-3;2-1-19;..14.....3 |
1d1a0 | 30 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 33 2d 33 3b 00 02 31 35 00 | 0;1-1-3;1-2-9;1-1-19;2-3-3;..15. |
1d1c0 | 1d 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b | ....9;1-1-30;2-1-3;2-1-9;2-1-19; |
1d1e0 | 00 02 31 36 00 1d 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d | ..16.....9;1-1-30;2-1-3;2-1-9;2- |
1d200 | 31 2d 31 39 3b 00 02 31 37 00 24 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 33 30 3b 32 2d | 1-19;..17.$...19;1-1-3;1-1-30;2- |
1d220 | 32 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 31 38 00 24 00 00 00 33 3b 31 2d 31 2d | 2-3;2-2-9;2-1-11;..18.$...3;1-1- |
1d240 | 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 | 3;1-1-11;1-1-19;2-2-3;2-1-30;..1 |
1d260 | 39 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 | 9.....3;1-2-3;2-1-3;2-1-11;2-1-1 |
1d280 | 39 3b 00 02 32 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 31 00 16 00 | 9;..20.....3;1-2-3;2-2-3;..21... |
1d2a0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 32 00 16 00 00 00 | ..3;1-2-3;2-1-3;2-1-11;..22..... |
1d2c0 | 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 32 33 00 17 00 00 00 31 31 | 3;1-1-3;1-1-11;2-2-3;..23.....11 |
1d2e0 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 32 34 00 15 00 00 00 32 3b 31 | ;1-2-3;2-2-3;2-1-19;..24.....2;1 |
1d300 | 2d 32 2d 32 3b 32 2d 32 2d 32 3b 32 2d 31 2d 36 3b 00 02 32 35 00 15 00 00 00 32 3b 31 2d 32 2d | -2-2;2-2-2;2-1-6;..25.....2;1-2- |
1d320 | 32 3b 32 2d 32 2d 32 3b 32 2d 31 2d 39 3b 00 02 32 36 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 31 | 2;2-2-2;2-1-9;..26.....2;1-2-2;1 |
1d340 | 2d 31 2d 39 3b 32 2d 33 2d 32 3b 00 02 32 37 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d | -1-9;2-3-2;..27.....9;1-1-2;2-2- |
1d360 | 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 34 00 00 00 4f 43 28 3d 4f 29 43 31 3d 43 43 28 3d 4e 4e | 2;....smiles.4...OC(=O)C1=CC(=NN |
1d380 | 63 32 63 63 63 28 63 63 32 29 53 28 3d 4f 29 28 3d 4f 29 4e 63 32 63 63 63 63 6e 32 29 43 3d 43 | c2ccc(cc2)S(=O)(=O)Nc2ccccn2)C=C |
1d3a0 | 43 31 3d 4f 00 02 69 6e 63 68 69 00 87 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 38 48 31 34 4e | C1=O..inchi.....InChI=1S/C18H14N |
1d3c0 | 34 4f 35 53 2f 63 32 33 2d 31 36 2d 39 2d 36 2d 31 33 28 31 31 2d 31 35 28 31 36 29 31 38 28 32 | 4O5S/c23-16-9-6-13(11-15(16)18(2 |
1d3e0 | 34 29 32 35 29 32 31 2d 32 30 2d 31 32 2d 34 2d 37 2d 31 34 28 38 2d 35 2d 31 32 29 32 38 28 32 | 4)25)21-20-12-4-7-14(8-5-12)28(2 |
1d400 | 36 2c 32 37 29 32 32 2d 31 37 2d 33 2d 31 2d 32 2d 31 30 2d 31 39 2d 31 37 2f 68 31 2d 31 31 2c | 6,27)22-17-3-1-2-10-19-17/h1-11, |
1d420 | 32 30 48 2c 28 48 2c 31 39 2c 32 32 29 28 48 2c 32 34 2c 32 35 29 00 09 75 70 64 61 74 65 64 5f | 20H,(H,19,22)(H,24,25)..updated_ |
1d440 | 61 74 00 55 f1 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 53 f1 5e 46 50 01 00 00 10 | at.U.^FP....created_at.S.^FP.... |
1d460 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 09 05 | default_fingerprint_size........ |
1d480 | 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 8f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V..f+r.+@....warnings.... |
1d4a0 | 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b6 03 00 00 04 4d 50 32 44 00 ab 03 00 00 02 30 | ...fingerprints......MP2D......0 |
1d4c0 | 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 00 16 00 | .....9;1-1-19;2-1-3;2-1-9;..1... |
1d4e0 | 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 39 | ..19;1-1-3;1-2-9;2-2-3;..2.....9 |
1d500 | 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 23 00 00 00 33 3b 31 2d | ;1-1-19;2-1-3;2-1-9;..3.#...3;1- |
1d520 | 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 | 2-3;1-1-19;2-2-3;2-2-9;2-1-19;.. |
1d540 | 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 39 3b 00 02 35 00 1c | 4.....3;1-2-3;2-2-3;2-2-19;..5.. |
1d560 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 | ...3;1-2-3;1-1-19;2-2-3;2-2-9;.. |
1d580 | 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 16 | 6.....3;1-2-3;2-2-3;2-1-19;..7.. |
1d5a0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 38 00 1d 00 00 00 | ...3;1-2-3;2-2-3;2-1-19;..8..... |
1d5c0 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 39 00 | 3;1-2-3;1-1-19;2-3-3;2-1-19;..9. |
1d5e0 | 10 00 00 00 31 39 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d | ....19;1-2-3;2-4-3;..10.....3;1- |
1d600 | 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 33 2d 33 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d | 2-3;1-1-19;2-3-3;..11.....3;1-2- |
1d620 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | 3;2-2-3;2-1-19;..12.....3;1-2-3; |
1d640 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 2-2-3;2-1-19;..13.....3;1-2-3;1- |
1d660 | 31 2d 31 39 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 34 00 29 00 00 00 33 3b 31 2d 32 | 1-19;2-3-3;2-1-10;..14.)...3;1-2 |
1d680 | 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 32 2d 31 2d | -3;1-1-10;2-2-3;2-1-8;2-2-9;2-1- |
1d6a0 | 31 39 3b 00 02 31 35 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 | 19;..15.....3;1-2-3;2-2-3;2-1-10 |
1d6c0 | 3b 32 2d 31 2d 31 39 3b 00 02 31 36 00 1c 00 00 00 31 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b | ;2-1-19;..16.....10;1-1-3;1-1-8; |
1d6e0 | 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 31 37 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d | 1-2-9;2-2-3;..17.....9;1-1-10;2- |
1d700 | 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 38 00 1c 00 00 00 39 3b 31 2d 31 2d 31 | 1-3;2-1-8;2-1-9;..18.....9;1-1-1 |
1d720 | 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 39 00 16 00 00 00 38 3b 31 | 0;2-1-3;2-1-8;2-1-9;..19.....8;1 |
1d740 | 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 02 32 30 00 10 00 00 00 31 39 3b 31 2d | -1-10;2-1-3;2-2-9;..20.....19;1- |
1d760 | 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 32 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | 2-3;2-4-3;..21.....3;1-2-3;1-1-1 |
1d780 | 39 3b 32 2d 33 2d 33 3b 00 02 32 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 9;2-3-3;..22.....3;1-2-3;2-2-3;2 |
1d7a0 | 2d 31 2d 31 39 3b 00 02 32 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 | -1-19;..23.....3;1-2-3;2-2-3;..2 |
1d7c0 | 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 35 00 0f 00 00 00 33 3b 31 | 4.....3;1-2-3;2-2-3;..25.....3;1 |
1d7e0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -2-3;2-2-3;..26.....3;1-2-3;2-2- |
1d800 | 33 3b 32 2d 31 2d 31 39 3b 00 02 32 37 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 | 3;2-1-19;..27.....19;1-1-3;1-2-9 |
1d820 | 3b 32 2d 32 2d 33 3b 00 02 32 38 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 | ;2-2-3;..28.....9;1-1-19;2-1-3;2 |
1d840 | 2d 31 2d 39 3b 00 02 32 39 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 | -1-9;..29.....9;1-1-19;2-1-3;2-1 |
1d860 | 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 39 00 00 00 4f 3d 4e 28 3d 4f 29 63 31 63 63 28 63 63 | -9;....smiles.9...O=N(=O)c1cc(cc |
1d880 | 63 31 4e 63 31 63 63 63 28 63 28 63 31 29 53 28 3d 4f 29 28 3d 4f 29 4f 29 4e 63 31 63 63 63 63 | c1Nc1ccc(c(c1)S(=O)(=O)O)Nc1cccc |
1d8a0 | 63 31 29 4e 28 3d 4f 29 3d 4f 00 02 69 6e 63 68 69 00 8a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | c1)N(=O)=O..inchi.....InChI=1S/C |
1d8c0 | 31 38 48 31 34 4e 34 4f 37 53 2f 63 32 33 2d 32 31 28 32 34 29 31 34 2d 37 2d 39 2d 31 35 28 31 | 18H14N4O7S/c23-21(24)14-7-9-15(1 |
1d8e0 | 37 28 31 31 2d 31 34 29 32 32 28 32 35 29 32 36 29 32 30 2d 31 33 2d 36 2d 38 2d 31 36 28 31 38 | 7(11-14)22(25)26)20-13-6-8-16(18 |
1d900 | 28 31 30 2d 31 33 29 33 30 28 32 37 2c 32 38 29 32 39 29 31 39 2d 31 32 2d 34 2d 32 2d 31 2d 33 | (10-13)30(27,28)29)19-12-4-2-1-3 |
1d920 | 2d 35 2d 31 32 2f 68 31 2d 31 31 2c 31 39 2d 32 30 48 2c 28 48 2c 32 37 2c 32 38 2c 32 39 29 00 | -5-12/h1-11,19-20H,(H,27,28,29). |
1d940 | 09 75 70 64 61 74 65 64 5f 61 74 00 5d f1 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at.].^FP....created_at. |
1d960 | 5b f1 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | [.^FP....default_fingerprint_siz |
1d980 | 65 00 00 00 00 00 00 bd 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 90 04 77 61 72 | e..........._id.V..f+r.+@....war |
1d9a0 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a9 02 00 00 04 4d 50 | nings.......fingerprints......MP |
1d9c0 | 32 44 00 9e 02 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 | 2D......0.....9;1-1-6;2-1-19;..1 |
1d9e0 | 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b | .....6;1-1-9;1-1-19;2-1-1;2-1-3; |
1da00 | 00 02 32 00 22 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 32 | ..2."...19;1-1-1;1-1-3;1-1-6;2-2 |
1da20 | 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b | -3;2-1-9;..3."...3;1-2-3;1-1-19; |
1da40 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 32 2d | 2-1-1;2-2-3;2-1-6;..4.....3;1-2- |
1da60 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;2-2-3;2-1-19;..5.....3;1-2-3;2 |
1da80 | 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 | -1-2;2-2-3;..6.....3;1-1-2;1-2-3 |
1daa0 | 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | ;2-1-2;2-2-3;..7.....3;1-2-3;2-1 |
1dac0 | 2d 32 3b 32 2d 32 2d 33 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | -2;2-2-3;..8.....3;1-2-3;2-2-3;2 |
1dae0 | 2d 31 2d 31 39 3b 00 02 39 00 15 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 33 2d | -1-19;..9.....2;1-1-2;1-1-3;2-3- |
1db00 | 33 3b 00 02 31 30 00 15 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 33 2d 33 3b 00 | 3;..10.....2;1-1-2;1-1-3;2-3-3;. |
1db20 | 02 31 31 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d | .11.....3;1-1-2;1-2-3;2-1-2;2-3- |
1db40 | 33 3b 00 02 31 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 | 3;..12.....3;1-2-3;2-1-2;2-1-3;2 |
1db60 | 2d 31 2d 31 31 3b 00 02 31 33 00 16 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d | -1-11;..13.....3;1-1-3;1-1-11;2- |
1db80 | 32 2d 33 3b 00 02 31 34 00 10 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 35 | 2-3;..14.....11;1-2-3;2-3-3;..15 |
1dba0 | 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 34 2d 33 3b 00 02 31 36 00 1c | .....3;1-2-3;1-1-11;2-4-3;..16.. |
1dbc0 | 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 | ...3;1-3-3;2-1-2;2-3-3;2-1-11;.. |
1dbe0 | 31 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 38 00 0f 00 00 00 33 3b | 17.....3;1-2-3;2-3-3;..18.....3; |
1dc00 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 1-2-3;2-2-3;..19.....3;1-2-3;2-2 |
1dc20 | 2d 33 3b 00 02 32 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 | -3;..20.....3;1-2-3;2-2-3;2-1-11 |
1dc40 | 3b 00 02 32 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 00 | ;..21.....1;1-1-19;2-1-3;2-1-6;. |
1dc60 | 00 00 02 73 6d 69 6c 65 73 00 23 00 00 00 4f 3d 4e 4e 28 63 31 63 63 63 28 63 63 31 29 43 3d 43 | ...smiles.#...O=NN(c1ccc(cc1)C=C |
1dc80 | 63 31 63 63 6e 63 32 63 31 63 63 63 63 32 29 43 00 02 69 6e 63 68 69 00 61 00 00 00 49 6e 43 68 | c1ccnc2c1cccc2)C..inchi.a...InCh |
1dca0 | 49 3d 31 53 2f 43 31 38 48 31 35 4e 33 4f 2f 63 31 2d 32 31 28 32 30 2d 32 32 29 31 36 2d 31 30 | I=1S/C18H15N3O/c1-21(20-22)16-10 |
1dcc0 | 2d 37 2d 31 34 28 38 2d 31 31 2d 31 36 29 36 2d 39 2d 31 35 2d 31 32 2d 31 33 2d 31 39 2d 31 38 | -7-14(8-11-16)6-9-15-12-13-19-18 |
1dce0 | 2d 35 2d 33 2d 32 2d 34 2d 31 37 28 31 35 29 31 38 2f 68 32 2d 31 33 48 2c 31 48 33 00 09 75 70 | -5-3-2-4-17(15)18/h2-13H,1H3..up |
1dd00 | 64 61 74 65 64 5f 61 74 00 64 f1 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 63 f1 5e | dated_at.d.^FP....created_at.c.^ |
1dd20 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
1dd40 | 00 00 00 00 60 05 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 91 04 77 61 72 6e 69 6e | ....`...._id.V..f+r.+@....warnin |
1dd60 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ff 03 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
1dd80 | f4 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 15 00 00 | .....0.....1;1-1-3;2-2-3;..1.... |
1dda0 | 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 15 00 00 00 33 3b 31 | .3;1-1-1;1-2-3;2-2-3;..2.....3;1 |
1ddc0 | 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 | -2-3;2-1-1;2-2-3;..3.....3;1-2-3 |
1dde0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 34 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | ;2-2-3;2-1-19;..4."...3;1-2-3;1- |
1de00 | 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 35 00 1c 00 00 00 33 | 1-19;2-1-1;2-2-3;2-1-6;..5.....3 |
1de20 | 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 36 00 15 00 | ;1-1-1;1-2-3;2-2-3;2-1-19;..6... |
1de40 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 0f 00 00 00 31 3b | ..3;1-2-3;2-2-1;2-2-3;..7.....1; |
1de60 | 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 | 1-1-3;2-2-3;..8.....19;1-1-3;1-1 |
1de80 | 2d 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 39 00 1c 00 00 00 36 3b 31 2d 31 2d 32 3b 31 | -6;2-1-2;2-2-3;..9.....6;1-1-2;1 |
1dea0 | 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 30 00 2e 00 00 00 32 3b 31 2d 31 | -1-19;2-1-2;2-2-3;..10.....2;1-1 |
1dec0 | 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 | -2;1-1-3;1-1-6;2-1-2;2-2-3;2-1-9 |
1dee0 | 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 | ;2-1-19;..11.!...3;1-1-2;1-2-3;2 |
1df00 | 2d 32 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 32 00 1c 00 00 00 33 3b 31 2d 32 2d | -2-2;2-2-3;2-1-6;..12.....3;1-2- |
1df20 | 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 33 00 22 00 00 00 33 3b | 3;2-1-2;2-2-3;2-1-10;..13."...3; |
1df40 | 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 | 1-2-3;1-1-10;2-2-3;2-1-8;2-2-9;. |
1df60 | 02 31 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 | .14.....3;1-2-3;2-2-3;2-1-10;..1 |
1df80 | 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 36 00 1b | 5.....3;1-2-3;2-1-2;2-2-3;..16.. |
1dfa0 | 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 | ...3;1-1-2;1-2-3;2-2-2;2-2-3;..1 |
1dfc0 | 37 00 22 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b | 7."...2;1-1-2;1-1-3;2-1-2;2-2-3; |
1dfe0 | 32 2d 31 2d 31 30 3b 00 02 31 38 00 28 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 31 30 3b 32 | 2-1-10;..18.(...2;1-2-2;1-1-10;2 |
1e000 | 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 33 2d 39 3b 00 02 31 39 00 28 00 00 00 | -1-2;2-1-3;2-1-8;2-3-9;..19.(... |
1e020 | 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b | 2;1-2-2;1-1-9;2-1-2;2-1-3;2-1-6; |
1e040 | 32 2d 31 2d 31 30 3b 00 02 32 30 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 02 | 2-1-10;..20.....9;1-1-2;2-2-2;.. |
1e060 | 32 31 00 1c 00 00 00 31 30 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d | 21.....10;1-1-2;1-1-8;1-2-9;2-2- |
1e080 | 32 3b 00 02 32 32 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b | 2;..22.....9;1-1-10;2-1-2;2-1-8; |
1e0a0 | 32 2d 31 2d 39 3b 00 02 32 33 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 2d | 2-1-9;..23.....9;1-1-10;2-1-2;2- |
1e0c0 | 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 34 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d | 1-8;2-1-9;..24.....8;1-1-10;2-1- |
1e0e0 | 32 3b 32 2d 32 2d 39 3b 00 02 32 35 00 1c 00 00 00 31 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b | 2;2-2-9;..25.....10;1-1-3;1-1-8; |
1e100 | 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 32 36 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d | 1-2-9;2-2-3;..26.....9;1-1-10;2- |
1e120 | 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 37 00 1c 00 00 00 39 3b 31 2d 31 2d 31 | 1-3;2-1-8;2-1-9;..27.....9;1-1-1 |
1e140 | 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 38 00 16 00 00 00 38 3b 31 | 0;2-1-3;2-1-8;2-1-9;..28.....8;1 |
1e160 | 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 3b 00 00 | -1-10;2-1-3;2-2-9;....smiles.;.. |
1e180 | 00 43 63 31 63 63 63 28 63 28 63 31 29 43 29 4e 4e 3d 43 31 63 32 63 63 28 63 63 63 32 43 3d 43 | .Cc1ccc(c(c1)C)NN=C1c2cc(ccc2C=C |
1e1a0 | 28 43 31 3d 4f 29 53 28 3d 4f 29 28 3d 4f 29 4f 29 53 28 3d 4f 29 28 3d 4f 29 4f 00 02 69 6e 63 | (C1=O)S(=O)(=O)O)S(=O)(=O)O..inc |
1e1c0 | 68 69 00 96 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 38 48 31 36 4e 32 4f 37 53 32 2f 63 31 2d | hi.....InChI=1S/C18H16N2O7S2/c1- |
1e1e0 | 31 30 2d 33 2d 36 2d 31 35 28 31 31 28 32 29 37 2d 31 30 29 31 39 2d 32 30 2d 31 37 2d 31 34 2d | 10-3-6-15(11(2)7-10)19-20-17-14- |
1e200 | 39 2d 31 33 28 32 38 28 32 32 2c 32 33 29 32 34 29 35 2d 34 2d 31 32 28 31 34 29 38 2d 31 36 28 | 9-13(28(22,23)24)5-4-12(14)8-16( |
1e220 | 31 38 28 31 37 29 32 31 29 32 39 28 32 35 2c 32 36 29 32 37 2f 68 33 2d 39 2c 31 39 48 2c 31 2d | 18(17)21)29(25,26)27/h3-9,19H,1- |
1e240 | 32 48 33 2c 28 48 2c 32 32 2c 32 33 2c 32 34 29 28 48 2c 32 35 2c 32 36 2c 32 37 29 00 09 75 70 | 2H3,(H,22,23,24)(H,25,26,27)..up |
1e260 | 64 61 74 65 64 5f 61 74 00 6c f1 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 6b f1 5e | dated_at.l.^FP....created_at.k.^ |
1e280 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
1e2a0 | 00 00 00 00 72 05 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 92 04 77 61 72 6e 69 6e | ....r...._id.V..f+r.+@....warnin |
1e2c0 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 11 04 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
1e2e0 | 06 04 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 1c 00 00 | .....0.....1;1-1-3;2-2-3;..1.... |
1e300 | 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 32 00 | .3;1-1-1;1-2-3;2-2-3;2-1-19;..2. |
1e320 | 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 1c 00 00 00 | ....3;1-2-3;2-2-1;2-2-3;..3..... |
1e340 | 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 34 00 0f | 3;1-1-1;1-2-3;2-2-3;2-1-10;..4.. |
1e360 | 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 28 00 00 00 33 3b 31 2d 32 2d 33 | ...1;1-1-3;2-2-3;..5.(...3;1-2-3 |
1e380 | 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b | ;1-1-10;2-1-1;2-2-3;2-1-8;2-2-9; |
1e3a0 | 00 02 36 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 32 2d 31 | ..6.....3;1-2-3;2-2-3;2-1-10;2-1 |
1e3c0 | 2d 31 39 3b 00 02 37 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 | -19;..7."...3;1-2-3;1-1-19;2-1-1 |
1e3e0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 38 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d | ;2-2-3;2-1-6;..8.....19;1-1-3;1- |
1e400 | 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 39 00 1c 00 00 00 36 3b 31 2d 31 2d 32 3b | 1-6;2-1-2;2-2-3;..9.....6;1-1-2; |
1e420 | 31 2d 31 2d 31 39 3b 32 2d 32 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 30 00 28 00 00 00 32 3b 31 2d | 1-1-19;2-2-2;2-1-3;..10.(...2;1- |
1e440 | 32 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d | 2-2;1-1-6;2-1-2;2-1-3;2-1-9;2-1- |
1e460 | 31 39 3b 00 02 31 31 00 22 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b | 19;..11."...2;1-2-2;2-1-2;2-1-3; |
1e480 | 32 2d 31 2d 36 3b 32 2d 31 2d 31 30 3b 00 02 31 32 00 2e 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d | 2-1-6;2-1-10;..12.....2;1-1-2;1- |
1e4a0 | 31 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 | 1-3;1-1-10;2-1-2;2-2-3;2-1-8;2-2 |
1e4c0 | 2d 39 3b 00 02 31 33 00 22 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 32 3b | -9;..13."...3;1-1-2;1-2-3;2-2-2; |
1e4e0 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 34 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d | 2-2-3;2-1-10;..14.!...3;1-1-2;1- |
1e500 | 32 2d 33 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 35 00 27 00 00 00 32 | 2-3;2-2-2;2-2-3;2-1-9;..15.'...2 |
1e520 | 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 | ;1-1-2;1-1-3;1-1-9;2-1-2;2-2-3;2 |
1e540 | 2d 31 2d 36 3b 00 02 31 36 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d | -1-6;..16.....9;1-1-2;2-1-2;2-1- |
1e560 | 33 3b 00 02 31 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 | 3;..17.....3;1-2-3;2-1-2;2-2-3;. |
1e580 | 02 31 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 39 00 0f 00 00 00 33 | .18.....3;1-2-3;2-2-3;..19.....3 |
1e5a0 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;1-2-3;2-2-3;..20.....3;1-2-3;2- |
1e5c0 | 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 31 00 22 00 00 00 31 30 3b 31 2d 31 2d 32 3b 31 2d 31 2d | 1-2;2-2-3;..21."...10;1-1-2;1-1- |
1e5e0 | 38 3b 31 2d 32 2d 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 32 32 00 1c 00 00 00 39 3b 31 | 8;1-2-9;2-1-2;2-1-3;..22.....9;1 |
1e600 | 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 33 00 1c 00 00 | -1-10;2-1-2;2-1-8;2-1-9;..23.... |
1e620 | 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 34 | .9;1-1-10;2-1-2;2-1-8;2-1-9;..24 |
1e640 | 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 2d 32 2d 39 3b 00 02 32 35 00 1c | .....8;1-1-10;2-1-2;2-2-9;..25.. |
1e660 | 00 00 00 31 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 | ...10;1-1-3;1-1-8;1-2-9;2-2-3;.. |
1e680 | 32 36 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d | 26.....9;1-1-10;2-1-3;2-1-8;2-1- |
1e6a0 | 39 3b 00 02 32 37 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b | 9;..27.....9;1-1-10;2-1-3;2-1-8; |
1e6c0 | 32 2d 31 2d 39 3b 00 02 32 38 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d | 2-1-9;..28.....8;1-1-10;2-1-3;2- |
1e6e0 | 32 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 3b 00 00 00 43 63 31 63 63 28 43 29 63 28 63 63 31 | 2-9;....smiles.;...Cc1cc(C)c(cc1 |
1e700 | 4e 4e 3d 43 31 43 3d 43 28 63 32 63 28 43 31 3d 4f 29 63 63 63 63 32 29 53 28 3d 4f 29 28 3d 4f | NN=C1C=C(c2c(C1=O)cccc2)S(=O)(=O |
1e720 | 29 4f 29 53 28 3d 4f 29 28 3d 4f 29 4f 00 02 69 6e 63 68 69 00 96 00 00 00 49 6e 43 68 49 3d 31 | )O)S(=O)(=O)O..inchi.....InChI=1 |
1e740 | 53 2f 43 31 38 48 31 36 4e 32 4f 37 53 32 2f 63 31 2d 31 30 2d 37 2d 31 31 28 32 29 31 36 28 32 | S/C18H16N2O7S2/c1-10-7-11(2)16(2 |
1e760 | 38 28 32 32 2c 32 33 29 32 34 29 38 2d 31 34 28 31 30 29 31 39 2d 32 30 2d 31 35 2d 39 2d 31 37 | 8(22,23)24)8-14(10)19-20-15-9-17 |
1e780 | 28 32 39 28 32 35 2c 32 36 29 32 37 29 31 32 2d 35 2d 33 2d 34 2d 36 2d 31 33 28 31 32 29 31 38 | (29(25,26)27)12-5-3-4-6-13(12)18 |
1e7a0 | 28 31 35 29 32 31 2f 68 33 2d 39 2c 31 39 48 2c 31 2d 32 48 33 2c 28 48 2c 32 32 2c 32 33 2c 32 | (15)21/h3-9,19H,1-2H3,(H,22,23,2 |
1e7c0 | 34 29 28 48 2c 32 35 2c 32 36 2c 32 37 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 74 f1 5e 46 50 | 4)(H,25,26,27)..updated_at.t.^FP |
1e7e0 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 73 f1 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.s.^FP....default_ |
1e800 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 ab 04 00 00 07 5f 69 64 00 56 | fingerprint_size..........._id.V |
1e820 | 16 1c 66 2b 72 ed 2b 40 00 00 93 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..f+r.+@....warnings.......finge |
1e840 | 72 70 72 69 6e 74 73 00 6a 03 00 00 04 4d 50 32 44 00 5f 03 00 00 02 30 00 0f 00 00 00 31 3b 31 | rprints.j....MP2D._....0.....1;1 |
1e860 | 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 | -1-8;2-1-3;..1.....8;1-1-1;1-1-3 |
1e880 | 3b 32 2d 32 2d 33 3b 00 02 32 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 | ;2-2-3;..2.!...3;1-2-3;1-1-8;2-1 |
1e8a0 | 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | -1;2-2-3;2-1-8;..3.....3;1-2-3;2 |
1e8c0 | 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 | -2-3;2-1-8;..4.....3;1-2-3;2-1-2 |
1e8e0 | 3b 32 2d 32 2d 33 3b 00 02 35 00 22 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 | ;2-2-3;..5."...3;1-1-2;1-2-3;2-2 |
1e900 | 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 36 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-1-9;2-1-28;..6.....3;1-2-3; |
1e920 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 21 00 00 00 33 3b 31 2d 32 2d | 2-1-2;2-2-3;2-1-8;..7.!...3;1-2- |
1e940 | 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 1b 00 | 3;1-1-8;2-1-1;2-2-3;2-1-8;..8... |
1e960 | 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 | ..8;1-1-1;1-1-3;2-2-1;2-2-3;..9. |
1e980 | 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 | ....1;1-2-1;1-1-8;2-2-1;2-1-3;.. |
1e9a0 | 31 30 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 31 00 | 10.....1;1-2-1;2-2-1;2-1-8;..11. |
1e9c0 | 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 32 00 0f 00 00 00 31 3b 31 2d 32 | ....1;1-2-1;2-2-1;..12.....1;1-2 |
1e9e0 | 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 33 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b | -1;2-2-1;..13.....1;1-2-1;2-2-1; |
1ea00 | 32 2d 31 2d 38 3b 00 02 31 34 00 1c 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 | 2-1-8;..14.....2;1-1-3;1-1-9;1-1 |
1ea20 | 2d 32 38 3b 32 2d 33 2d 33 3b 00 02 31 35 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 | -28;2-3-3;..15.....9;1-1-2;2-1-3 |
1ea40 | 3b 32 2d 31 2d 32 38 3b 00 02 31 36 00 1c 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b | ;2-1-28;..16.....28;1-1-2;1-1-3; |
1ea60 | 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 37 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | 2-3-3;2-1-9;..17.#...3;1-2-3;1-1 |
1ea80 | 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 31 38 00 24 00 00 00 | -28;2-1-2;2-2-3;2-2-15;..18.$... |
1eaa0 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d | 3;1-2-3;1-1-15;2-1-3;2-1-11;2-1- |
1eac0 | 32 38 3b 00 02 31 39 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 30 00 | 28;..19.....15;1-1-3;2-2-3;..20. |
1eae0 | 24 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 33 3b | $...3;1-1-3;1-1-11;2-2-3;2-1-13; |
1eb00 | 32 2d 31 2d 31 35 3b 00 02 32 31 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b | 2-1-15;..21.....11;1-2-3;1-1-13; |
1eb20 | 32 2d 32 2d 33 3b 00 02 32 32 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 | 2-2-3;..22.....13;1-1-11;2-2-3;. |
1eb40 | 02 32 33 00 24 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 | .23.$...3;1-1-3;1-1-11;2-2-3;2-1 |
1eb60 | 2d 31 33 3b 32 2d 31 2d 31 35 3b 00 02 32 34 00 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | -13;2-1-15;..24.$...3;1-2-3;1-1- |
1eb80 | 31 35 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 32 35 00 10 00 00 00 | 15;2-1-3;2-1-11;2-1-28;..25..... |
1eba0 | 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 2d 00 00 00 43 4f | 15;1-1-3;2-2-3;....smiles.-...CO |
1ebc0 | 63 31 63 63 63 28 63 63 31 4f 43 31 43 43 43 43 31 29 43 28 3d 4f 29 4e 3d 63 31 63 28 43 6c 29 | c1ccc(cc1OC1CCCC1)C(=O)N=c1c(Cl) |
1ebe0 | 63 5b 6e 48 5d 63 63 31 43 6c 00 02 69 6e 63 68 69 00 84 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | c[nH]cc1Cl..inchi.....InChI=1S/C |
1ec00 | 31 38 48 31 38 43 6c 32 4e 32 4f 33 2f 63 31 2d 32 34 2d 31 35 2d 37 2d 36 2d 31 31 28 38 2d 31 | 18H18Cl2N2O3/c1-24-15-7-6-11(8-1 |
1ec20 | 36 28 31 35 29 32 35 2d 31 32 2d 34 2d 32 2d 33 2d 35 2d 31 32 29 31 38 28 32 33 29 32 32 2d 31 | 6(15)25-12-4-2-3-5-12)18(23)22-1 |
1ec40 | 37 2d 31 33 28 31 39 29 39 2d 32 31 2d 31 30 2d 31 34 28 31 37 29 32 30 2f 68 36 2d 31 30 2c 31 | 7-13(19)9-21-10-14(17)20/h6-10,1 |
1ec60 | 32 48 2c 32 2d 35 48 32 2c 31 48 33 2c 28 48 2c 32 31 2c 32 32 2c 32 33 29 00 09 75 70 64 61 74 | 2H,2-5H2,1H3,(H,21,22,23)..updat |
1ec80 | 65 64 5f 61 74 00 7c f1 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 7b f1 5e 46 50 01 | ed_at.|.^FP....created_at.{.^FP. |
1eca0 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
1ecc0 | 00 85 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 94 04 77 61 72 6e 69 6e 67 73 00 | ......_id.V..f+r.+@....warnings. |
1ece0 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 6e 02 00 00 04 4d 50 32 44 00 63 02 00 | ......fingerprints.n....MP2D.c.. |
1ed00 | 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 00 1b 00 00 00 31 3b | ..0.....1;1-1-1;2-1-2;..1.....1; |
1ed20 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 32 00 21 00 00 00 | 1-1-1;1-1-2;2-1-2;2-1-3;..2.!... |
1ed40 | 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 33 2d 33 3b | 2;1-1-1;1-1-2;1-1-3;2-2-1;2-3-3; |
1ed60 | 00 02 33 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d | ..3.!...2;1-1-1;1-1-2;1-1-3;2-2- |
1ed80 | 31 3b 32 2d 33 2d 33 3b 00 02 34 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d | 1;2-3-3;..4.!...3;1-1-2;1-2-3;2- |
1eda0 | 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | 1-1;2-1-2;2-2-3;..5.....3;1-2-3; |
1edc0 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-1-2;2-2-3;..6.....3;1-2-3;2-2- |
1ede0 | 33 3b 32 2d 31 2d 38 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d | 3;2-1-8;..7.....3;1-2-3;1-1-8;2- |
1ee00 | 32 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b | 2-3;..8.....3;1-2-3;2-2-3;2-1-8; |
1ee20 | 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 30 | ..9.....3;1-2-3;2-1-2;2-2-3;..10 |
1ee40 | 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 1b 00 00 00 31 3b 31 2d | .....8;1-1-3;2-2-3;..11.....1;1- |
1ee60 | 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 32 00 0f 00 00 00 31 | 1-1;1-1-2;2-1-2;2-1-3;..12.....1 |
1ee80 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 33 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d | ;1-1-1;2-1-2;..13.!...3;1-1-2;1- |
1eea0 | 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 34 00 15 00 00 00 33 | 2-3;2-1-1;2-1-2;2-2-3;..14.....3 |
1eec0 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d | ;1-2-3;2-1-2;2-2-3;..15.....3;1- |
1eee0 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-2-3;2-1-8;..16.....3;1-2-3 |
1ef00 | 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 00 02 31 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;1-1-8;2-2-3;..17.....3;1-2-3;2- |
1ef20 | 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 | 2-3;2-1-8;..18.....3;1-2-3;2-1-2 |
1ef40 | 3b 32 2d 32 2d 33 3b 00 02 31 39 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 | ;2-2-3;..19.....8;1-1-3;2-2-3;.. |
1ef60 | 00 02 73 6d 69 6c 65 73 00 22 00 00 00 43 43 43 28 3d 43 28 63 31 63 63 63 28 63 63 31 29 4f 29 | ..smiles."...CCC(=C(c1ccc(cc1)O) |
1ef80 | 43 43 29 63 31 63 63 63 28 63 63 31 29 4f 00 02 69 6e 63 68 69 00 65 00 00 00 49 6e 43 68 49 3d | CC)c1ccc(cc1)O..inchi.e...InChI= |
1efa0 | 31 53 2f 43 31 38 48 32 30 4f 32 2f 63 31 2d 33 2d 31 37 28 31 33 2d 35 2d 39 2d 31 35 28 31 39 | 1S/C18H20O2/c1-3-17(13-5-9-15(19 |
1efc0 | 29 31 30 2d 36 2d 31 33 29 31 38 28 34 2d 32 29 31 34 2d 37 2d 31 31 2d 31 36 28 32 30 29 31 32 | )10-6-13)18(4-2)14-7-11-16(20)12 |
1efe0 | 2d 38 2d 31 34 2f 68 35 2d 31 32 2c 31 39 2d 32 30 48 2c 33 2d 34 48 32 2c 31 2d 32 48 33 00 09 | -8-14/h5-12,19-20H,3-4H2,1-2H3.. |
1f000 | 75 70 64 61 74 65 64 5f 61 74 00 83 f1 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 82 | updated_at...^FP....created_at.. |
1f020 | f1 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | .^FP....default_fingerprint_size |
1f040 | 00 00 00 00 00 00 86 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 95 04 77 61 72 6e | ..........._id.V..f+r.+@....warn |
1f060 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 70 02 00 00 04 4d 50 32 | ings.......fingerprints.p....MP2 |
1f080 | 44 00 65 02 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 | D.e....0.....15;1-1-1;2-1-1;..1. |
1f0a0 | 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 35 3b 00 02 32 00 1c 00 00 | ....1;1-1-1;1-1-15;2-1-5;..2.... |
1f0c0 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 33 00 | .1;1-1-1;1-1-5;2-2-1;2-1-15;..3. |
1f0e0 | 15 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 33 3b 00 02 34 00 1b 00 00 00 | ....5;1-3-1;2-3-1;2-1-3;..4..... |
1f100 | 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 21 00 | 1;1-2-1;1-1-5;2-2-1;2-1-8;..5.!. |
1f120 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d | ..1;1-1-1;1-1-8;2-1-1;2-1-3;2-1- |
1f140 | 35 3b 00 02 36 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d | 5;..6.....8;1-1-1;1-1-3;2-1-1;2- |
1f160 | 32 2d 33 3b 00 02 37 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b | 2-3;..7.....3;1-2-3;1-1-8;2-1-1; |
1f180 | 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 2-2-3;..8.....3;1-2-3;2-2-3;2-1- |
1f1a0 | 38 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 0f 00 00 | 8;..9.....3;1-2-3;2-2-3;..10.... |
1f1c0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b | .3;1-2-3;2-2-3;..11.....3;1-2-3; |
1f1e0 | 32 2d 32 2d 33 3b 00 02 31 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | 2-2-3;..12.....3;1-2-3;2-2-3;2-1 |
1f200 | 2d 38 3b 00 02 31 33 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b | -8;..13.....1;1-1-1;2-1-1;2-1-5; |
1f220 | 00 02 31 34 00 1b 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 32 | ..14.....1;1-1-3;1-1-5;2-2-1;2-2 |
1f240 | 2d 33 3b 00 02 31 35 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | -3;..15.....3;1-1-1;1-2-3;2-2-3; |
1f260 | 32 2d 31 2d 35 3b 00 02 31 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 | 2-1-5;..16.....3;1-2-3;2-1-1;2-2 |
1f280 | 2d 33 3b 00 02 31 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 38 00 0f | -3;..17.....3;1-2-3;2-2-3;..18.. |
1f2a0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 39 00 0f 00 00 00 33 3b 31 2d 32 2d | ...3;1-2-3;2-2-3;..19.....3;1-2- |
1f2c0 | 33 3b 32 2d 32 2d 33 3b 00 02 32 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 | 3;2-2-3;..20.....3;1-2-3;2-1-1;2 |
1f2e0 | 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1f 00 00 00 43 6c 43 43 4e 28 43 28 43 4f 63 31 | -2-3;....smiles.....ClCCN(C(COc1 |
1f300 | 63 63 63 63 63 31 29 43 29 43 63 31 63 63 63 63 63 31 00 02 69 6e 63 68 69 00 67 00 00 00 49 6e | ccccc1)C)Cc1ccccc1..inchi.g...In |
1f320 | 43 68 49 3d 31 53 2f 43 31 38 48 32 32 43 6c 4e 4f 2f 63 31 2d 31 36 28 31 35 2d 32 31 2d 31 38 | ChI=1S/C18H22ClNO/c1-16(15-21-18 |
1f340 | 2d 31 30 2d 36 2d 33 2d 37 2d 31 31 2d 31 38 29 32 30 28 31 33 2d 31 32 2d 31 39 29 31 34 2d 31 | -10-6-3-7-11-18)20(13-12-19)14-1 |
1f360 | 37 2d 38 2d 34 2d 32 2d 35 2d 39 2d 31 37 2f 68 32 2d 31 31 2c 31 36 48 2c 31 32 2d 31 35 48 32 | 7-8-4-2-5-9-17/h2-11,16H,12-15H2 |
1f380 | 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 8a f1 5e 46 50 01 00 00 09 63 72 65 61 74 65 | ,1H3..updated_at...^FP....create |
1f3a0 | 64 5f 61 74 00 88 f1 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at...^FP....default_fingerprin |
1f3c0 | 74 5f 73 69 7a 65 00 00 00 00 00 00 c0 04 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 | t_size..........._id.V..f+r.+@.. |
1f3e0 | 96 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 83 03 | ..warnings.......fingerprints... |
1f400 | 00 00 04 4d 50 32 44 00 78 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 | ...MP2D.x....0.....1;1-1-2;2-1-2 |
1f420 | 3b 00 02 31 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 | ;..1.....2;1-1-1;1-1-2;2-1-1;2-1 |
1f440 | 2d 32 3b 00 02 32 00 27 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 | -2;..2.'...2;1-1-1;1-2-2;2-1-1;2 |
1f460 | 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 33 00 15 00 00 00 31 3b 31 2d 32 2d 32 | -1-2;2-1-8;2-1-9;..3.....1;1-2-2 |
1f480 | 3b 32 2d 31 2d 31 3b 32 2d 33 2d 32 3b 00 02 34 00 21 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 | ;2-1-1;2-3-2;..4.!...2;1-2-1;1-1 |
1f4a0 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 38 3b 00 02 35 00 0f 00 00 00 32 3b 31 | -2;2-1-1;2-2-2;2-1-8;..5.....2;1 |
1f4c0 | 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 02 36 00 2d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 | -1-2;2-2-1;..6.-...1;1-1-1;1-2-2 |
1f4e0 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 | ;1-1-8;2-1-1;2-1-2;2-2-8;2-1-9;. |
1f500 | 02 37 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 38 00 1b | .7.....8;1-1-1;2-1-1;2-2-2;..8.. |
1f520 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 32 3b 32 2d 31 2d 38 3b 00 02 39 | ...1;1-1-1;1-1-8;2-2-2;2-1-8;..9 |
1f540 | 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 30 00 27 00 00 00 32 3b 31 2d | .....8;1-1-1;2-1-1;..10.'...2;1- |
1f560 | 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d | 1-1;1-1-8;1-1-9;2-2-1;2-1-2;2-1- |
1f580 | 38 3b 00 02 31 31 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 | 8;..11.....9;1-1-2;2-1-1;2-1-8;. |
1f5a0 | 02 31 32 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d | .12.!...8;1-1-1;1-1-2;2-1-1;2-1- |
1f5c0 | 32 3b 32 2d 31 2d 39 3b 00 02 31 33 00 1b 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 | 2;2-1-9;..13.....1;1-1-2;1-1-8;2 |
1f5e0 | 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 34 00 21 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d | -1-1;2-2-2;..14.!...2;1-2-1;1-1- |
1f600 | 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b 00 02 31 35 00 1b 00 00 00 32 3b 31 | 2;2-2-1;2-1-5;2-1-8;..15.....2;1 |
1f620 | 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 36 00 1b 00 00 00 | -1-1;1-1-2;2-2-1;2-1-5;..16..... |
1f640 | 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 37 00 15 | 1;1-1-2;1-1-5;2-2-1;2-1-2;..17.. |
1f660 | 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 38 00 27 00 00 00 | ...5;1-3-1;2-2-1;2-2-2;..18.'... |
1f680 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 35 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b | 1;1-1-1;1-1-2;1-1-5;2-4-1;2-1-2; |
1f6a0 | 32 2d 31 2d 38 3b 00 02 31 39 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 | 2-1-8;..19.!...1;1-2-1;1-1-8;2-1 |
1f6c0 | 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 35 3b 00 02 32 30 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b | -1;2-2-2;2-1-5;..20.!...8;1-1-1; |
1f6e0 | 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 32 31 00 21 00 00 | 1-1-2;2-2-1;2-1-2;2-1-9;..21.!.. |
1f700 | 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 | .2;1-1-2;1-1-8;1-1-9;2-2-1;2-1-2 |
1f720 | 3b 00 02 32 32 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 | ;..22.....9;1-1-2;2-1-2;2-1-8;.. |
1f740 | 32 33 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 | 23.....1;1-2-1;2-1-1;2-1-5;2-1-8 |
1f760 | 3b 00 02 32 34 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 33 2d 31 3b 00 00 | ;..24.....1;1-1-1;1-1-5;2-3-1;.. |
1f780 | 00 02 73 6d 69 6c 65 73 00 2f 00 00 00 43 43 3d 43 31 43 43 28 3d 43 29 43 28 4f 29 28 43 4f 29 | ..smiles./...CC=C1CC(=C)C(O)(CO) |
1f7a0 | 43 28 3d 4f 29 4f 43 43 32 3d 43 43 4e 33 43 32 43 28 4f 43 31 3d 4f 29 43 43 33 00 02 69 6e 63 | C(=O)OCC2=CCN3C2C(OC1=O)CC3..inc |
1f7c0 | 68 69 00 7e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 38 48 32 33 4e 4f 36 2f 63 31 2d 33 2d 31 | hi.~...InChI=1S/C18H23NO6/c1-3-1 |
1f7e0 | 32 2d 38 2d 31 31 28 32 29 31 38 28 32 33 2c 31 30 2d 32 30 29 31 37 28 32 32 29 32 34 2d 39 2d | 2-8-11(2)18(23,10-20)17(22)24-9- |
1f800 | 31 33 2d 34 2d 36 2d 31 39 2d 37 2d 35 2d 31 34 28 31 35 28 31 33 29 31 39 29 32 35 2d 31 36 28 | 13-4-6-19-7-5-14(15(13)19)25-16( |
1f820 | 31 32 29 32 31 2f 68 33 2d 34 2c 31 34 2d 31 35 2c 32 30 2c 32 33 48 2c 32 2c 35 2d 31 30 48 32 | 12)21/h3-4,14-15,20,23H,2,5-10H2 |
1f840 | 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 91 f1 5e 46 50 01 00 00 09 63 72 65 61 74 65 | ,1H3..updated_at...^FP....create |
1f860 | 64 5f 61 74 00 8f f1 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at...^FP....default_fingerprin |
1f880 | 74 5f 73 69 7a 65 00 00 00 00 00 00 b6 04 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 | t_size..........._id.V..f+r.+@.. |
1f8a0 | 97 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 77 03 | ..warnings.......fingerprints.w. |
1f8c0 | 00 00 04 4d 50 32 44 00 6c 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 | ...MP2D.l....0.....1;1-1-2;2-1-2 |
1f8e0 | 3b 00 02 31 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 | ;..1.....2;1-1-1;1-1-2;2-1-1;2-1 |
1f900 | 2d 32 3b 00 02 32 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 32 2d 31 3b 32 | -2;..2.!...2;1-1-1;1-2-2;2-2-1;2 |
1f920 | 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | -1-8;2-1-9;..3.....1;1-1-1;1-1-2 |
1f940 | 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 34 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 | ;2-2-1;2-2-2;..4.....1;1-3-1;2-1 |
1f960 | 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 38 3b 00 02 35 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 | -1;2-2-2;2-1-8;..5.....1;1-1-1;2 |
1f980 | 2d 32 2d 31 3b 00 02 36 00 27 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 | -2-1;..6.'...1;1-2-1;1-1-2;1-1-8 |
1f9a0 | 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 37 00 15 00 00 00 38 3b 31 2d 31 | ;2-2-1;2-2-8;2-1-9;..7.....8;1-1 |
1f9c0 | 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 38 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | -1;2-2-1;2-1-2;..8.!...1;1-1-1;1 |
1f9e0 | 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 39 00 0f 00 00 00 38 | -1-8;2-1-1;2-1-2;2-1-8;..9.....8 |
1fa00 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 30 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d | ;1-1-1;2-1-1;..10.!...2;1-1-1;1- |
1fa20 | 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 31 00 15 00 00 00 39 | 1-8;1-1-9;2-3-1;2-1-8;..11.....9 |
1fa40 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 32 00 21 00 00 00 38 3b 31 2d | ;1-1-2;2-1-1;2-1-8;..12.!...8;1- |
1fa60 | 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 33 | 1-1;1-1-2;2-1-1;2-1-2;2-1-9;..13 |
1fa80 | 00 1b 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 | .....1;1-1-2;1-1-8;2-1-1;2-2-2;. |
1faa0 | 02 31 34 00 21 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d | .14.!...2;1-2-1;1-1-2;2-2-1;2-1- |
1fac0 | 35 3b 32 2d 31 2d 38 3b 00 02 31 35 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 | 5;2-1-8;..15.....2;1-1-1;1-1-2;2 |
1fae0 | 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 36 00 1b 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d | -2-1;2-1-5;..16.....1;1-1-2;1-1- |
1fb00 | 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 37 00 15 00 00 00 35 3b 31 2d 33 2d 31 3b 32 | 5;2-2-1;2-1-2;..17.....5;1-3-1;2 |
1fb20 | 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 38 00 27 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -2-1;2-2-2;..18.'...1;1-1-1;1-1- |
1fb40 | 32 3b 31 2d 31 2d 35 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 39 00 21 | 2;1-1-5;2-4-1;2-1-2;2-1-8;..19.! |
1fb60 | 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 | ...1;1-2-1;1-1-8;2-1-1;2-2-2;2-1 |
1fb80 | 2d 35 3b 00 02 32 30 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b | -5;..20.!...8;1-1-1;1-1-2;2-2-1; |
1fba0 | 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 32 31 00 21 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 | 2-1-2;2-1-9;..21.!...2;1-1-2;1-1 |
1fbc0 | 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 32 00 15 00 00 00 39 3b | -8;1-1-9;2-2-1;2-1-2;..22.....9; |
1fbe0 | 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 33 00 1b 00 00 00 31 3b 31 2d 32 | 1-1-2;2-1-2;2-1-8;..23.....1;1-2 |
1fc00 | 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b 00 02 32 34 00 15 00 00 00 31 3b | -1;2-1-1;2-1-5;2-1-8;..24.....1; |
1fc20 | 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 33 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 2e 00 00 | 1-1-1;1-1-5;2-3-1;....smiles.... |
1fc40 | 00 43 43 3d 43 31 43 43 28 43 29 43 28 4f 29 28 43 4f 29 43 28 3d 4f 29 4f 43 43 32 3d 43 43 4e | .CC=C1CC(C)C(O)(CO)C(=O)OCC2=CCN |
1fc60 | 33 43 32 43 28 4f 43 31 3d 4f 29 43 43 33 00 02 69 6e 63 68 69 00 81 00 00 00 49 6e 43 68 49 3d | 3C2C(OC1=O)CC3..inchi.....InChI= |
1fc80 | 31 53 2f 43 31 38 48 32 35 4e 4f 36 2f 63 31 2d 33 2d 31 32 2d 38 2d 31 31 28 32 29 31 38 28 32 | 1S/C18H25NO6/c1-3-12-8-11(2)18(2 |
1fca0 | 33 2c 31 30 2d 32 30 29 31 37 28 32 32 29 32 34 2d 39 2d 31 33 2d 34 2d 36 2d 31 39 2d 37 2d 35 | 3,10-20)17(22)24-9-13-4-6-19-7-5 |
1fcc0 | 2d 31 34 28 31 35 28 31 33 29 31 39 29 32 35 2d 31 36 28 31 32 29 32 31 2f 68 33 2d 34 2c 31 31 | -14(15(13)19)25-16(12)21/h3-4,11 |
1fce0 | 2c 31 34 2d 31 35 2c 32 30 2c 32 33 48 2c 35 2d 31 30 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 | ,14-15,20,23H,5-10H2,1-2H3..upda |
1fd00 | 74 65 64 5f 61 74 00 99 f1 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 97 f1 5e 46 50 | ted_at...^FP....created_at...^FP |
1fd20 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
1fd40 | 00 00 ec 04 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 98 04 77 61 72 6e 69 6e 67 73 | ......._id.V..f+r.+@....warnings |
1fd60 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a6 03 00 00 04 4d 50 32 44 00 9b 03 | .......fingerprints......MP2D... |
1fd80 | 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 02 31 00 1b 00 00 00 32 | ...0.....1;1-1-2;2-1-2;..1.....2 |
1fda0 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 21 00 00 | ;1-1-1;1-1-2;2-1-1;2-1-2;..2.!.. |
1fdc0 | 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 | .2;1-1-1;1-2-2;2-2-1;2-1-8;2-1-9 |
1fde0 | 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 32 | ;..3.....1;1-1-1;1-1-2;2-2-1;2-2 |
1fe00 | 2d 32 3b 00 02 34 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 | -2;..4.....1;1-3-1;2-1-1;2-2-2;2 |
1fe20 | 2d 31 2d 38 3b 00 02 35 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 36 00 27 | -1-8;..5.....1;1-1-1;2-2-1;..6.' |
1fe40 | 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 | ...1;1-2-1;1-1-2;1-1-8;2-2-1;2-2 |
1fe60 | 2d 38 3b 32 2d 31 2d 39 3b 00 02 37 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 | -8;2-1-9;..7.....8;1-1-1;2-2-1;2 |
1fe80 | 2d 31 2d 32 3b 00 02 38 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 | -1-2;..8.!...1;1-1-1;1-1-8;2-1-1 |
1fea0 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 39 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 | ;2-1-2;2-1-8;..9.....8;1-1-1;2-1 |
1fec0 | 2d 31 3b 00 02 31 30 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b | -1;..10.!...2;1-1-1;1-1-8;1-1-9; |
1fee0 | 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 31 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 | 2-3-1;2-1-8;..11.....9;1-1-2;2-1 |
1ff00 | 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 32 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | -1;2-1-8;..12.!...8;1-1-1;1-1-2; |
1ff20 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 33 00 1b 00 00 00 31 3b 31 2d 31 | 2-1-1;2-1-2;2-1-9;..13.....1;1-1 |
1ff40 | 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 34 00 21 00 00 00 32 3b | -2;1-1-8;2-1-1;2-2-2;..14.!...2; |
1ff60 | 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 | 1-2-1;1-1-2;2-2-1;2-1-6;2-1-8;.. |
1ff80 | 31 35 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 | 15.....2;1-1-1;1-1-2;2-2-1;2-1-6 |
1ffa0 | 3b 00 02 31 36 00 21 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d | ;..16.!...1;1-1-2;1-1-6;2-2-1;2- |
1ffc0 | 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 37 00 1b 00 00 00 36 3b 31 2d 33 2d 31 3b 31 2d 31 2d 39 | 1-2;2-1-9;..17.....6;1-3-1;1-1-9 |
1ffe0 | 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 38 00 0f 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d | ;2-2-1;2-2-2;..18.....9;1-1-6;2- |
20000 | 33 2d 31 3b 00 02 31 39 00 2d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 | 3-1;..19.-...1;1-1-1;1-1-2;1-1-6 |
20020 | 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 30 00 21 00 | ;2-4-1;2-1-2;2-1-8;2-1-9;..20.!. |
20040 | 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d | ..1;1-2-1;1-1-8;2-1-1;2-2-2;2-1- |
20060 | 36 3b 00 02 32 31 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 | 6;..21.!...8;1-1-1;1-1-2;2-2-1;2 |
20080 | 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 32 32 00 21 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d | -1-2;2-1-9;..22.!...2;1-1-2;1-1- |
200a0 | 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 33 00 15 00 00 00 39 3b 31 | 8;1-1-9;2-2-1;2-1-2;..23.....9;1 |
200c0 | 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 34 00 1b 00 00 00 31 3b 31 2d 32 2d | -1-2;2-1-2;2-1-8;..24.....1;1-2- |
200e0 | 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 32 35 00 1b 00 00 00 31 3b 31 | 1;2-1-1;2-1-6;2-1-8;..25.....1;1 |
20100 | 2d 31 2d 31 3b 31 2d 31 2d 36 3b 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 | -1-1;1-1-6;2-3-1;2-1-9;....smile |
20120 | 73 00 32 00 00 00 43 43 3d 43 31 43 43 28 43 29 43 28 4f 29 28 43 4f 29 43 28 3d 4f 29 4f 43 43 | s.2...CC=C1CC(C)C(O)(CO)C(=O)OCC |
20140 | 32 3d 43 43 4e 33 28 3d 4f 29 43 32 43 28 4f 43 31 3d 4f 29 43 43 33 00 02 69 6e 63 68 69 00 84 | 2=CCN3(=O)C2C(OC1=O)CC3..inchi.. |
20160 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 38 48 32 35 4e 4f 37 2f 63 31 2d 33 2d 31 32 2d 38 2d | ...InChI=1S/C18H25NO7/c1-3-12-8- |
20180 | 31 31 28 32 29 31 38 28 32 33 2c 31 30 2d 32 30 29 31 37 28 32 32 29 32 35 2d 39 2d 31 33 2d 34 | 11(2)18(23,10-20)17(22)25-9-13-4 |
201a0 | 2d 36 2d 31 39 28 32 34 29 37 2d 35 2d 31 34 28 31 35 28 31 33 29 31 39 29 32 36 2d 31 36 28 31 | -6-19(24)7-5-14(15(13)19)26-16(1 |
201c0 | 32 29 32 31 2f 68 33 2d 34 2c 31 31 2c 31 34 2d 31 35 2c 32 30 2c 32 33 48 2c 35 2d 31 30 48 32 | 2)21/h3-4,11,14-15,20,23H,5-10H2 |
201e0 | 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 a0 f1 5e 46 50 01 00 00 09 63 72 65 61 | ,1-2H3..updated_at...^FP....crea |
20200 | 74 65 64 5f 61 74 00 9f f1 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at...^FP....default_fingerpr |
20220 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 78 04 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 | int_size......x...._id.V..f+r.+@ |
20240 | 00 00 99 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 | ....warnings.......fingerprints. |
20260 | 3d 03 00 00 04 4d 50 32 44 00 32 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 | =....MP2D.2....0.....1;1-1-8;2-1 |
20280 | 2d 33 3b 00 02 31 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | -3;..1.....8;1-1-1;1-1-3;2-2-3;. |
202a0 | 02 32 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | .2.....3;1-2-3;1-1-8;2-1-1;2-2-3 |
202c0 | 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 | ;..3.....3;1-2-3;2-2-3;2-1-8;..4 |
202e0 | 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 35 00 1c 00 | .....3;1-2-3;2-2-3;2-1-11;..5... |
20300 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 32 3b 32 2d 34 2d 33 3b 00 02 36 | ..3;1-2-3;1-1-11;2-1-2;2-4-3;..6 |
20320 | 00 1c 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b | .....3;1-3-3;2-1-1;2-3-3;2-1-11; |
20340 | 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 | ..7.....3;1-2-3;2-3-3;2-1-8;..8. |
20360 | 28 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d | (...3;1-1-1;1-2-3;2-1-1;2-1-2;2- |
20380 | 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 39 00 1c 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 | 2-3;2-1-11;..9.....1;1-1-2;1-1-3 |
203a0 | 3b 32 2d 32 2d 33 3b 32 2d 32 2d 33 32 3b 00 02 31 30 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 | ;2-2-3;2-2-32;..10.....2;1-1-1;1 |
203c0 | 2d 32 2d 33 32 3b 32 2d 31 2d 33 3b 00 02 31 31 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d | -2-32;2-1-3;..11.....32;1-1-2;2- |
203e0 | 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 31 32 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 | 1-1;2-1-32;..12.....32;1-1-2;2-1 |
20400 | 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 31 33 00 28 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 | -1;2-1-32;..13.(...3;1-1-1;1-1-3 |
20420 | 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 34 00 22 | ;1-1-11;2-1-1;2-1-2;2-2-3;..14." |
20440 | 00 00 00 31 31 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 34 2d 33 3b 32 2d | ...11;1-1-2;1-2-3;2-1-1;2-4-3;2- |
20460 | 31 2d 39 3b 00 02 31 35 00 1c 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 | 1-9;..15.....2;1-1-3;1-1-9;1-1-1 |
20480 | 31 3b 32 2d 34 2d 33 3b 00 02 31 36 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 | 1;2-4-3;..16.....9;1-1-2;2-1-3;2 |
204a0 | 2d 31 2d 31 31 3b 00 02 31 37 00 22 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 | -1-11;..17."...3;1-1-2;1-2-3;2-2 |
204c0 | 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 31 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 | -3;2-1-9;2-1-11;..18.....3;1-2-3 |
204e0 | 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-1-2;2-2-3;..19.....3;1-2-3;2- |
20500 | 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 32 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 2-3;2-1-15;..20.....3;1-2-3;1-1- |
20520 | 31 35 3b 32 2d 32 2d 33 3b 00 02 32 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | 15;2-2-3;..21.....3;1-2-3;2-2-3; |
20540 | 32 2d 31 2d 31 35 3b 00 02 32 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d | 2-1-15;..22.....3;1-2-3;2-1-2;2- |
20560 | 32 2d 33 3b 00 02 32 33 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 34 | 2-3;..23.....15;1-1-3;2-2-3;..24 |
20580 | 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 00 00 02 73 6d | .....1;1-1-3;2-1-3;2-1-11;....sm |
205a0 | 69 6c 65 73 00 2f 00 00 00 43 4f 63 31 63 63 63 32 63 28 63 31 29 63 28 43 43 28 3d 4f 29 4f 29 | iles./...COc1ccc2c(c1)c(CC(=O)O) |
205c0 | 63 28 6e 32 43 28 3d 4f 29 63 31 63 63 63 28 63 63 31 29 43 6c 29 43 00 02 69 6e 63 68 69 00 7c | c(n2C(=O)c1ccc(cc1)Cl)C..inchi.| |
205e0 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 39 48 31 36 43 6c 4e 4f 34 2f 63 31 2d 31 31 2d 31 35 | ...InChI=1S/C19H16ClNO4/c1-11-15 |
20600 | 28 31 30 2d 31 38 28 32 32 29 32 33 29 31 36 2d 39 2d 31 34 28 32 35 2d 32 29 37 2d 38 2d 31 37 | (10-18(22)23)16-9-14(25-2)7-8-17 |
20620 | 28 31 36 29 32 31 28 31 31 29 31 39 28 32 34 29 31 32 2d 33 2d 35 2d 31 33 28 32 30 29 36 2d 34 | (16)21(11)19(24)12-3-5-13(20)6-4 |
20640 | 2d 31 32 2f 68 33 2d 39 48 2c 31 30 48 32 2c 31 2d 32 48 33 2c 28 48 2c 32 32 2c 32 33 29 00 09 | -12/h3-9H,10H2,1-2H3,(H,22,23).. |
20660 | 75 70 64 61 74 65 64 5f 61 74 00 a8 f1 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a6 | updated_at...^FP....created_at.. |
20680 | f1 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | .^FP....default_fingerprint_size |
206a0 | 00 00 00 00 00 00 a0 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 9a 04 77 61 72 6e | ..........._id.V..f+r.+@....warn |
206c0 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 80 02 00 00 04 4d 50 32 | ings.......fingerprints......MP2 |
206e0 | 44 00 75 02 00 00 02 30 00 0f 00 00 00 36 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 02 31 00 15 | D.u....0.....6;1-1-2;2-2-2;..1.. |
20700 | 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 36 3b 32 2d 32 2d 32 3b 00 02 32 00 15 00 00 00 32 | ...2;1-2-2;1-1-6;2-2-2;..2.....2 |
20720 | 3b 31 2d 32 2d 32 3b 32 2d 32 2d 32 3b 32 2d 31 2d 36 3b 00 02 33 00 0f 00 00 00 32 3b 31 2d 32 | ;1-2-2;2-2-2;2-1-6;..3.....2;1-2 |
20740 | 2d 32 3b 32 2d 33 2d 32 3b 00 02 34 00 15 00 00 00 32 3b 31 2d 33 2d 32 3b 32 2d 32 2d 32 3b 32 | -2;2-3-2;..4.....2;1-3-2;2-2-2;2 |
20760 | 2d 32 2d 33 3b 00 02 35 00 1b 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 32 | -2-3;..5.....2;1-1-2;1-2-3;2-2-2 |
20780 | 3b 32 2d 34 2d 33 3b 00 02 36 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 | ;2-4-3;..6.....3;1-1-2;1-2-3;2-1 |
207a0 | 2d 32 3b 32 2d 33 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 | -2;2-3-3;..7.....3;1-2-3;2-1-2;2 |
207c0 | 2d 32 2d 33 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | -2-3;..8.....3;1-2-3;2-2-3;2-1-1 |
207e0 | 39 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 | 9;..9.....3;1-2-3;1-1-19;2-2-3;. |
20800 | 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 | .10.....3;1-2-3;2-2-3;2-1-19;..1 |
20820 | 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 32 00 10 | 1.....3;1-2-3;2-1-2;2-2-3;..12.. |
20840 | 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 1b 00 00 00 33 3b 31 2d 31 | ...19;1-1-3;2-2-3;..13.....3;1-1 |
20860 | 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 02 31 34 00 15 00 00 00 33 3b | -2;1-2-3;2-1-2;2-3-3;..14.....3; |
20880 | 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 35 00 16 00 00 00 33 3b 31 2d 32 | 1-2-3;2-1-2;2-2-3;..15.....3;1-2 |
208a0 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 | -3;2-2-3;2-1-19;..16.....3;1-2-3 |
208c0 | 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 31 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | ;1-1-19;2-2-3;..17.....3;1-2-3;2 |
208e0 | 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | -2-3;2-1-19;..18.....3;1-2-3;2-1 |
20900 | 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 39 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | -2;2-2-3;..19.....19;1-1-3;2-2-3 |
20920 | 3b 00 02 32 30 00 0f 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 33 2d 32 3b 00 02 32 31 00 15 00 00 | ;..20.....2;1-2-2;2-3-2;..21.... |
20940 | 00 32 3b 31 2d 32 2d 32 3b 32 2d 32 2d 32 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 | .2;1-2-2;2-2-2;2-1-6;....smiles. |
20960 | 29 00 00 00 4e 3d 43 31 43 3d 43 43 28 3d 43 28 63 32 63 63 63 28 63 63 32 29 4e 29 63 32 63 63 | )...N=C1C=CC(=C(c2ccc(cc2)N)c2cc |
20980 | 63 28 63 63 32 29 4e 29 43 3d 43 31 00 02 69 6e 63 68 69 00 67 00 00 00 49 6e 43 68 49 3d 31 53 | c(cc2)N)C=C1..inchi.g...InChI=1S |
209a0 | 2f 43 31 39 48 31 37 4e 33 2f 63 32 30 2d 31 36 2d 37 2d 31 2d 31 33 28 32 2d 38 2d 31 36 29 31 | /C19H17N3/c20-16-7-1-13(2-8-16)1 |
209c0 | 39 28 31 34 2d 33 2d 39 2d 31 37 28 32 31 29 31 30 2d 34 2d 31 34 29 31 35 2d 35 2d 31 31 2d 31 | 9(14-3-9-17(21)10-4-14)15-5-11-1 |
209e0 | 38 28 32 32 29 31 32 2d 36 2d 31 35 2f 68 31 2d 31 32 2c 32 30 48 2c 32 31 2d 32 32 48 32 00 09 | 8(22)12-6-15/h1-12,20H,21-22H2.. |
20a00 | 75 70 64 61 74 65 64 5f 61 74 00 af f1 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ad | updated_at...^FP....created_at.. |
20a20 | f1 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | .^FP....default_fingerprint_size |
20a40 | 00 00 00 00 00 00 31 05 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 9b 04 77 61 72 6e | ......1...._id.V..f+r.+@....warn |
20a60 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ce 03 00 00 04 4d 50 32 | ings.......fingerprints......MP2 |
20a80 | 44 00 c3 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 1b | D......0.....1;1-1-3;2-2-3;..1.. |
20aa0 | 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 32 | ...3;1-1-1;1-2-3;2-2-3;2-1-6;..2 |
20ac0 | 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 1b 00 00 | .....3;1-2-3;2-2-1;2-2-3;..3.... |
20ae0 | 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 0f | .3;1-1-1;1-2-3;2-1-1;2-2-3;..4.. |
20b00 | 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 1b 00 00 00 33 3b 31 2d 31 2d 31 | ...1;1-1-3;2-2-3;..5.....3;1-1-1 |
20b20 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 1b 00 00 00 33 3b 31 2d 32 | ;1-2-3;2-1-1;2-2-3;..6.....3;1-2 |
20b40 | 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 37 00 21 00 00 00 33 3b 31 | -3;2-1-1;2-2-3;2-1-6;..7.!...3;1 |
20b60 | 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 38 | -2-3;1-1-6;2-1-1;2-2-3;2-1-6;..8 |
20b80 | 00 15 00 00 00 36 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 33 2d 33 3b 00 02 39 00 15 00 00 | .....6;1-1-3;1-1-6;2-3-3;..9.... |
20ba0 | 00 36 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 33 2d 33 3b 00 02 31 30 00 21 00 00 00 33 3b | .6;1-1-3;1-1-6;2-3-3;..10.!...3; |
20bc0 | 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 33 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 | 1-2-3;1-1-6;2-3-3;2-1-6;2-1-8;.. |
20be0 | 31 31 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 32 00 | 11.....3;1-3-3;2-4-3;2-1-6;..12. |
20c00 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 33 00 16 00 00 00 33 3b 31 2d 32 | ....3;1-2-3;2-3-3;..13.....3;1-2 |
20c20 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 34 00 22 00 00 00 33 3b 31 2d 32 2d 33 | -3;2-2-3;2-1-10;..14."...3;1-2-3 |
20c40 | 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 31 35 00 16 | ;1-1-10;2-2-3;2-1-8;2-2-9;..15.. |
20c60 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 36 00 0f 00 00 | ...3;1-2-3;2-3-3;2-1-10;..16.... |
20c80 | 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | .3;1-3-3;2-4-3;..17.....3;1-2-3; |
20ca0 | 32 2d 33 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 38 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 2-3-3;2-1-10;..18."...3;1-2-3;1- |
20cc0 | 31 2d 31 30 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b 32 2d 32 2d 39 3b 00 02 31 39 00 22 00 00 00 | 1-10;2-2-3;2-2-8;2-2-9;..19."... |
20ce0 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 30 | 3;1-2-3;1-1-8;2-2-3;2-1-6;2-1-10 |
20d00 | 3b 00 02 32 30 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 31 00 1c 00 00 | ;..20.....8;1-1-3;2-2-3;..21.... |
20d20 | 00 31 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 32 32 | .10;1-1-3;1-1-8;1-2-9;2-2-3;..22 |
20d40 | 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b | .....9;1-1-10;2-1-3;2-1-8;2-1-9; |
20d60 | 00 02 32 33 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d | ..23.....9;1-1-10;2-1-3;2-1-8;2- |
20d80 | 31 2d 39 3b 00 02 32 34 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 32 2d | 1-9;..24.....8;1-1-10;2-1-3;2-2- |
20da0 | 39 3b 00 02 32 35 00 1c 00 00 00 31 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b | 9;..25.....10;1-1-3;1-1-8;1-2-9; |
20dc0 | 32 2d 32 2d 33 3b 00 02 32 36 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d | 2-2-3;..26.....9;1-1-10;2-1-3;2- |
20de0 | 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 37 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d | 1-8;2-1-9;..27.....9;1-1-10;2-1- |
20e00 | 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 38 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b | 3;2-1-8;2-1-9;..28.....8;1-1-10; |
20e20 | 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 02 32 39 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 | 2-1-3;2-2-9;..29.....1;1-1-3;2-2 |
20e40 | 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 3a 00 00 00 43 63 31 63 63 28 43 29 63 28 63 63 31 4e | -3;....smiles.:...Cc1cc(C)c(cc1N |
20e60 | 3d 4e 63 31 63 32 63 63 63 28 63 63 32 63 63 28 63 31 4f 29 53 28 3d 4f 29 28 3d 4f 29 4f 29 53 | =Nc1c2ccc(cc2cc(c1O)S(=O)(=O)O)S |
20e80 | 28 3d 4f 29 28 3d 4f 29 4f 29 43 00 02 69 6e 63 68 69 00 99 00 00 00 49 6e 43 68 49 3d 31 53 2f | (=O)(=O)O)C..inchi.....InChI=1S/ |
20ea0 | 43 31 39 48 31 38 4e 32 4f 37 53 32 2f 63 31 2d 31 30 2d 36 2d 31 32 28 33 29 31 36 28 37 2d 31 | C19H18N2O7S2/c1-10-6-12(3)16(7-1 |
20ec0 | 31 28 31 30 29 32 29 32 30 2d 32 31 2d 31 38 2d 31 35 2d 35 2d 34 2d 31 34 28 32 39 28 32 33 2c | 1(10)2)20-21-18-15-5-4-14(29(23, |
20ee0 | 32 34 29 32 35 29 38 2d 31 33 28 31 35 29 39 2d 31 37 28 31 39 28 31 38 29 32 32 29 33 30 28 32 | 24)25)8-13(15)9-17(19(18)22)30(2 |
20f00 | 36 2c 32 37 29 32 38 2f 68 34 2d 39 2c 32 32 48 2c 31 2d 33 48 33 2c 28 48 2c 32 33 2c 32 34 2c | 6,27)28/h4-9,22H,1-3H3,(H,23,24, |
20f20 | 32 35 29 28 48 2c 32 36 2c 32 37 2c 32 38 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 b7 f1 5e 46 | 25)(H,26,27,28)..updated_at...^F |
20f40 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 b5 f1 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at...^FP....default |
20f60 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 29 04 00 00 07 5f 69 64 00 | _fingerprint_size......)...._id. |
20f80 | 56 16 1c 66 2b 72 ed 2b 40 00 00 9c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..f+r.+@....warnings.......fing |
20fa0 | 65 72 70 72 69 6e 74 73 00 02 03 00 00 04 4d 50 32 44 00 f7 02 00 00 02 30 00 0f 00 00 00 31 3b | erprints......MP2D......0.....1; |
20fc0 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d | 1-1-1;2-1-1;..1.....1;1-2-1;2-1- |
20fe0 | 31 3b 00 02 32 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 00 15 00 00 00 | 1;..2.....1;1-2-1;2-2-1;..3..... |
21000 | 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 34 00 22 00 00 00 31 3b 31 2d | 1;1-2-1;2-1-1;2-2-2;..4."...1;1- |
21020 | 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 39 3b 32 2d 32 2d 32 38 3b 00 02 35 | 1-1;1-2-2;2-1-1;2-2-9;2-2-28;..5 |
21040 | 00 2f 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b | ./...2;1-1-1;1-1-9;1-1-28;2-1-1; |
21060 | 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 36 00 16 00 00 00 39 3b 31 2d 31 | 2-1-2;2-1-3;2-1-28;..6.....9;1-1 |
21080 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 37 00 2f 00 00 00 32 38 3b 31 2d 31 2d 32 | -2;2-1-1;2-1-28;..7./...28;1-1-2 |
210a0 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b | ;1-1-3;1-1-28;2-1-1;2-1-2;2-3-3; |
210c0 | 32 2d 31 2d 39 3b 00 02 38 00 2f 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 | 2-1-9;..8./...28;1-1-2;1-1-3;1-1 |
210e0 | 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 39 00 | -28;2-1-1;2-1-2;2-3-3;2-1-9;..9. |
21100 | 2f 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 | /...2;1-1-1;1-1-9;1-1-28;2-1-1;2 |
21120 | 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 16 00 00 00 39 3b 31 2d 31 | -1-2;2-1-3;2-1-28;..10.....9;1-1 |
21140 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 31 00 23 00 00 00 33 3b 31 2d 32 2d 33 | -2;2-1-1;2-1-28;..11.#...3;1-2-3 |
21160 | 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 | ;1-1-28;2-1-2;2-2-3;2-1-28;..12. |
21180 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 0f 00 | ....3;1-2-3;2-2-3;2-1-28;..13... |
211a0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | ..3;1-2-3;2-2-3;..14.....3;1-2-3 |
211c0 | 3b 32 2d 32 2d 33 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 | ;2-2-3;..15.....3;1-2-3;2-2-3;.. |
211e0 | 31 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 37 | 16.....3;1-2-3;2-2-3;2-1-28;..17 |
21200 | 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b | .#...3;1-2-3;1-1-28;2-1-2;2-2-3; |
21220 | 32 2d 31 2d 32 38 3b 00 02 31 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | 2-1-28;..18.....3;1-2-3;2-2-3;2- |
21240 | 31 2d 32 38 3b 00 02 31 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 30 | 1-28;..19.....3;1-2-3;2-2-3;..20 |
21260 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 31 00 0f 00 00 00 33 3b 31 2d | .....3;1-2-3;2-2-3;..21.....3;1- |
21280 | 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 2-3;2-2-3;..22.....3;1-2-3;2-2-3 |
212a0 | 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 26 00 00 00 43 43 43 43 43 31 43 28 3d | ;2-1-28;....smiles.&...CCCCC1C(= |
212c0 | 4f 29 4e 28 4e 28 43 31 3d 4f 29 63 31 63 63 63 63 63 31 29 63 31 63 63 63 63 63 31 00 02 69 6e | O)N(N(C1=O)c1ccccc1)c1ccccc1..in |
212e0 | 63 68 69 00 71 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 39 48 32 30 4e 32 4f 32 2f 63 31 2d 32 | chi.q...InChI=1S/C19H20N2O2/c1-2 |
21300 | 2d 33 2d 31 34 2d 31 37 2d 31 38 28 32 32 29 32 30 28 31 35 2d 31 30 2d 36 2d 34 2d 37 2d 31 31 | -3-14-17-18(22)20(15-10-6-4-7-11 |
21320 | 2d 31 35 29 32 31 28 31 39 28 31 37 29 32 33 29 31 36 2d 31 32 2d 38 2d 35 2d 39 2d 31 33 2d 31 | -15)21(19(17)23)16-12-8-5-9-13-1 |
21340 | 36 2f 68 34 2d 31 33 2c 31 37 48 2c 32 2d 33 2c 31 34 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 | 6/h4-13,17H,2-3,14H2,1H3..update |
21360 | 64 5f 61 74 00 be f1 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 bc f1 5e 46 50 01 00 | d_at...^FP....created_at...^FP.. |
21380 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 | ..default_fingerprint_size...... |
213a0 | f5 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 9d 04 77 61 72 6e 69 6e 67 73 00 05 | ....._id.V..f+r.+@....warnings.. |
213c0 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 d7 02 00 00 04 4d 50 32 44 00 cc 02 00 00 | .....fingerprints......MP2D..... |
213e0 | 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 | .0.....1;1-1-1;2-1-1;..1.....1;1 |
21400 | 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 | -2-1;2-1-1;..2.....1;1-2-1;2-1-1 |
21420 | 3b 32 2d 31 2d 38 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 | ;2-1-8;..3.....1;1-1-1;1-1-8;2-1 |
21440 | 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 | -1;2-1-2;..4.!...8;1-1-1;1-1-2;2 |
21460 | 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 35 00 21 00 00 00 32 3b 31 2d 31 2d 33 | -1-1;2-1-3;2-1-9;..5.!...2;1-1-3 |
21480 | 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 | ;1-1-8;1-1-9;2-1-1;2-2-3;..6.... |
214a0 | 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 27 00 00 00 33 3b 31 | .9;1-1-2;2-1-3;2-1-8;..7.'...3;1 |
214c0 | 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 | -1-2;1-2-3;2-1-2;2-2-3;2-1-8;2-1 |
214e0 | 2d 39 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 | -9;..8.....3;1-2-3;2-1-2;2-2-3;. |
21500 | 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 0f 00 00 00 33 3b | .9.....3;1-2-3;2-2-3;..10.....3; |
21520 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | 1-2-3;2-2-3;..11.....3;1-2-3;2-1 |
21540 | 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 32 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b | -2;2-2-3;..12.'...3;1-1-2;1-2-3; |
21560 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 33 00 21 00 00 | 2-1-2;2-2-3;2-1-8;2-1-9;..13.!.. |
21580 | 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | .2;1-1-3;1-1-8;1-1-9;2-1-1;2-2-3 |
215a0 | 3b 00 02 31 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 | ;..14.....9;1-1-2;2-1-3;2-1-8;.. |
215c0 | 31 35 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 | 15.....8;1-1-1;1-1-2;2-2-3;2-1-9 |
215e0 | 3b 00 02 31 36 00 1b 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d | ;..16.....1;1-1-3;1-1-8;2-1-2;2- |
21600 | 32 2d 33 3b 00 02 31 37 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 2-3;..17.....3;1-1-1;1-2-3;2-2-3 |
21620 | 3b 32 2d 31 2d 38 3b 00 02 31 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | ;2-1-8;..18.....3;1-2-3;2-1-1;2- |
21640 | 32 2d 33 3b 00 02 31 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 30 00 | 2-3;..19.....3;1-2-3;2-2-3;..20. |
21660 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 31 00 0f 00 00 00 33 3b 31 2d 32 | ....3;1-2-3;2-2-3;..21.....3;1-2 |
21680 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b | -3;2-2-3;..22.....3;1-2-3;2-1-1; |
216a0 | 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 22 00 00 00 43 43 43 43 4f 43 28 3d 4f 29 63 | 2-2-3;....smiles."...CCCCOC(=O)c |
216c0 | 31 63 63 63 63 63 31 43 28 3d 4f 29 4f 43 63 31 63 63 63 63 63 31 00 02 69 6e 63 68 69 00 6c 00 | 1ccccc1C(=O)OCc1ccccc1..inchi.l. |
216e0 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 39 48 32 30 4f 34 2f 63 31 2d 32 2d 33 2d 31 33 2d 32 32 | ..InChI=1S/C19H20O4/c1-2-3-13-22 |
21700 | 2d 31 38 28 32 30 29 31 36 2d 31 31 2d 37 2d 38 2d 31 32 2d 31 37 28 31 36 29 31 39 28 32 31 29 | -18(20)16-11-7-8-12-17(16)19(21) |
21720 | 32 33 2d 31 34 2d 31 35 2d 39 2d 35 2d 34 2d 36 2d 31 30 2d 31 35 2f 68 34 2d 31 32 48 2c 32 2d | 23-14-15-9-5-4-6-10-15/h4-12H,2- |
21740 | 33 2c 31 33 2d 31 34 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 c5 f1 5e 46 50 01 | 3,13-14H2,1H3..updated_at...^FP. |
21760 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c3 f1 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at...^FP....default_f |
21780 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 cf 04 00 00 07 5f 69 64 00 56 16 | ingerprint_size..........._id.V. |
217a0 | 1c 66 2b 72 ed 2b 40 00 00 9e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | .f+r.+@....warnings.......finger |
217c0 | 70 72 69 6e 74 73 00 94 03 00 00 04 4d 50 32 44 00 89 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d | prints......MP2D......0.....1;1- |
217e0 | 31 2d 32 3b 32 2d 31 2d 32 3b 00 02 31 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | 1-2;2-1-2;..1.....2;1-1-1;1-1-2; |
21800 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d | 2-1-1;2-1-2;..2.!...2;1-1-1;1-2- |
21820 | 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d | 2;2-2-1;2-1-8;2-1-9;..3.....1;1- |
21840 | 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 34 00 1b 00 00 00 31 3b | 1-1;1-1-2;2-2-1;2-2-2;..4.....1; |
21860 | 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 38 3b 00 02 35 00 0f 00 00 00 | 1-3-1;2-1-1;2-2-2;2-1-8;..5..... |
21880 | 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 36 00 27 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d | 1;1-1-1;2-2-1;..6.'...1;1-2-1;1- |
218a0 | 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 37 00 | 1-2;1-1-8;2-2-1;2-1-8;2-1-9;..7. |
218c0 | 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 | ....1;1-1-1;2-1-1;2-1-2;2-1-8;.. |
218e0 | 38 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 39 00 21 00 | 8.....8;1-1-1;2-2-1;2-1-2;..9.!. |
21900 | 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b 32 2d 31 2d | ..2;1-1-1;1-1-8;1-1-9;2-3-1;2-1- |
21920 | 38 3b 00 02 31 30 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 | 8;..10.....9;1-1-2;2-1-1;2-1-8;. |
21940 | 02 31 31 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d | .11.!...8;1-1-1;1-1-2;2-1-1;2-1- |
21960 | 32 3b 32 2d 31 2d 39 3b 00 02 31 32 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 | 2;2-1-9;..12.....1;1-1-2;1-1-8;2 |
21980 | 2d 33 2d 32 3b 00 02 31 33 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 32 2d | -3-2;..13.!...2;1-1-1;1-2-2;2-2- |
219a0 | 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 34 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 | 1;2-1-8;2-1-9;..14.!...2;1-1-1;1 |
219c0 | 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 35 3b 00 02 31 35 00 1b 00 00 00 | -1-2;2-1-1;2-1-2;2-1-5;..15..... |
219e0 | 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 36 00 15 | 1;1-1-2;1-1-5;2-2-1;2-1-2;..16.. |
21a00 | 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 37 00 15 00 00 00 | ...5;1-3-1;2-1-1;2-1-2;..17..... |
21a20 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 33 2d 31 3b 00 02 31 38 00 1b 00 00 00 31 3b 31 | 1;1-1-1;1-1-5;2-3-1;..18.....1;1 |
21a40 | 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b 00 02 31 39 00 27 00 00 00 | -2-1;2-1-2;2-1-5;2-1-8;..19.'... |
21a60 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b | 1;1-1-1;1-1-2;1-1-8;2-1-1;2-2-2; |
21a80 | 32 2d 31 2d 39 3b 00 02 32 30 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 | 2-1-9;..20.!...8;1-1-1;1-1-2;2-1 |
21aa0 | 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 39 3b 00 02 32 31 00 21 00 00 00 32 3b 31 2d 31 2d 32 3b | -1;2-2-2;2-1-9;..21.!...2;1-1-2; |
21ac0 | 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 32 00 15 00 00 | 1-1-8;1-1-9;2-2-1;2-1-2;..22.... |
21ae0 | 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 33 00 27 00 00 00 32 3b | .9;1-1-2;2-1-2;2-1-8;..23.'...2; |
21b00 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d | 1-1-1;1-1-2;1-1-9;2-2-1;2-1-2;2- |
21b20 | 31 2d 38 3b 00 02 32 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 | 1-8;..24.....9;1-1-2;2-1-1;2-1-2 |
21b40 | 3b 00 02 32 35 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c | ;..25.....1;1-1-5;2-2-1;....smil |
21b60 | 65 73 00 30 00 00 00 43 43 3d 43 31 43 43 28 43 29 43 28 43 29 28 4f 29 43 28 3d 4f 29 4f 43 43 | es.0...CC=C1CC(C)C(C)(O)C(=O)OCC |
21b80 | 32 3d 43 43 4e 28 43 43 43 28 4f 43 31 3d 4f 29 43 32 3d 4f 29 43 00 02 69 6e 63 68 69 00 7b 00 | 2=CCN(CCC(OC1=O)C2=O)C..inchi.{. |
21ba0 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 39 48 32 37 4e 4f 36 2f 63 31 2d 35 2d 31 33 2d 31 30 2d | ..InChI=1S/C19H27NO6/c1-5-13-10- |
21bc0 | 31 32 28 32 29 31 39 28 33 2c 32 34 29 31 38 28 32 33 29 32 35 2d 31 31 2d 31 34 2d 36 2d 38 2d | 12(2)19(3,24)18(23)25-11-14-6-8- |
21be0 | 32 30 28 34 29 39 2d 37 2d 31 35 28 31 36 28 31 34 29 32 31 29 32 36 2d 31 37 28 31 33 29 32 32 | 20(4)9-7-15(16(14)21)26-17(13)22 |
21c00 | 2f 68 35 2d 36 2c 31 32 2c 31 35 2c 32 34 48 2c 37 2d 31 31 48 32 2c 31 2d 34 48 33 00 09 75 70 | /h5-6,12,15,24H,7-11H2,1-4H3..up |
21c20 | 64 61 74 65 64 5f 61 74 00 cc f1 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ca f1 5e | dated_at...^FP....created_at...^ |
21c40 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
21c60 | 00 00 00 00 09 05 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 9f 04 77 61 72 6e 69 6e | ........._id.V..f+r.+@....warnin |
21c80 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c3 03 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
21ca0 | b8 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 31 00 15 00 00 | .....0.....1;1-1-5;2-2-1;..1.... |
21cc0 | 00 35 3b 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 15 00 00 00 31 3b 31 | .5;1-3-1;2-1-1;2-1-2;..2.....1;1 |
21ce0 | 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 33 2d 31 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d 32 2d 31 | -1-1;1-1-5;2-3-1;..3.....1;1-2-1 |
21d00 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b 00 02 34 00 27 00 00 00 31 3b 31 2d 31 | ;2-1-2;2-1-5;2-1-8;..4.'...1;1-1 |
21d20 | 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 39 | -1;1-1-2;1-1-8;2-1-1;2-2-2;2-1-9 |
21d40 | 3b 00 02 35 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 | ;..5.!...8;1-1-1;1-1-2;2-2-1;2-1 |
21d60 | 2d 32 3b 32 2d 31 2d 39 3b 00 02 36 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 | -2;2-1-9;..6.!...2;1-1-1;1-1-8;1 |
21d80 | 2d 31 2d 39 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 37 00 15 00 00 00 39 3b 31 2d 31 2d 32 | -1-9;2-3-1;2-1-8;..7.....9;1-1-2 |
21da0 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 38 00 27 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 | ;2-1-1;2-1-8;..8.'...1;1-2-1;1-1 |
21dc0 | 2d 32 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 39 00 15 | -2;1-1-8;2-3-1;2-2-8;2-1-9;..9.. |
21de0 | 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 30 00 21 00 00 00 | ...8;1-2-1;2-4-1;2-1-2;..10.!... |
21e00 | 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b | 1;1-2-1;1-1-8;2-2-1;2-1-2;2-1-8; |
21e20 | 00 02 31 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 | ..11.....1;1-1-1;2-1-1;2-1-8;..1 |
21e40 | 32 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b | 2.....1;1-2-1;2-3-1;2-1-2;2-1-8; |
21e60 | 00 02 31 33 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 | ..13.....1;1-3-1;2-2-1;2-1-2;2-1 |
21e80 | 2d 38 3b 00 02 31 34 00 27 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b | -8;..14.'...1;1-2-1;1-1-2;1-1-8; |
21ea0 | 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 35 00 21 00 00 00 32 3b 31 2d 31 | 2-2-1;2-1-8;2-1-9;..15.!...2;1-1 |
21ec0 | 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 36 00 | -1;1-1-8;1-1-9;2-3-1;2-1-8;..16. |
21ee0 | 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 37 00 21 00 00 | ....9;1-1-2;2-1-1;2-1-8;..17.!.. |
21f00 | 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 | .8;1-1-1;1-1-2;2-1-1;2-1-2;2-1-9 |
21f20 | 3b 00 02 31 38 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 33 2d 32 3b 00 02 | ;..18.....1;1-1-2;1-1-8;2-3-2;.. |
21f40 | 31 39 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 | 19.!...2;1-1-1;1-2-2;2-2-1;2-1-8 |
21f60 | 3b 32 2d 31 2d 39 3b 00 02 32 30 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d | ;2-1-9;..20.!...2;1-1-1;1-1-2;2- |
21f80 | 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 35 3b 00 02 32 31 00 1b 00 00 00 31 3b 31 2d 31 2d 32 | 1-1;2-1-2;2-1-5;..21.....1;1-1-2 |
21fa0 | 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 32 00 27 00 00 00 32 3b 31 2d | ;1-1-5;2-2-1;2-1-2;..22.'...2;1- |
21fc0 | 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d | 1-1;1-1-2;1-1-9;2-2-1;2-1-2;2-1- |
21fe0 | 38 3b 00 02 32 33 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 | 8;..23.....9;1-1-2;2-1-1;2-1-2;. |
22000 | 02 32 34 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d | .24.....1;1-1-1;2-1-1;2-1-2;2-1- |
22020 | 38 3b 00 02 32 35 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 | 8;..25.....8;1-1-1;2-2-1;2-1-2;. |
22040 | 02 32 36 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 | .26.....1;1-1-1;2-2-1;....smiles |
22060 | 00 34 00 00 00 43 4e 31 43 43 43 32 4f 43 28 3d 4f 29 43 33 28 4f 43 33 43 29 43 43 28 43 28 43 | .4...CN1CCC2OC(=O)C3(OC3C)CC(C(C |
22080 | 28 3d 4f 29 4f 43 43 28 3d 43 43 31 29 43 32 3d 4f 29 28 43 29 4f 29 43 00 02 69 6e 63 68 69 00 | (=O)OCC(=CC1)C2=O)(C)O)C..inchi. |
220a0 | 82 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 39 48 32 37 4e 4f 37 2f 63 31 2d 31 31 2d 39 2d 31 | ....InChI=1S/C19H27NO7/c1-11-9-1 |
220c0 | 39 28 31 32 28 32 29 32 37 2d 31 39 29 31 37 28 32 33 29 32 36 2d 31 34 2d 36 2d 38 2d 32 30 28 | 9(12(2)27-19)17(23)26-14-6-8-20( |
220e0 | 34 29 37 2d 35 2d 31 33 28 31 35 28 31 34 29 32 31 29 31 30 2d 32 35 2d 31 36 28 32 32 29 31 38 | 4)7-5-13(15(14)21)10-25-16(22)18 |
22100 | 28 31 31 2c 33 29 32 34 2f 68 35 2c 31 31 2d 31 32 2c 31 34 2c 32 34 48 2c 36 2d 31 30 48 32 2c | (11,3)24/h5,11-12,14,24H,6-10H2, |
22120 | 31 2d 34 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 d3 f1 5e 46 50 01 00 00 09 63 72 65 61 74 | 1-4H3..updated_at...^FP....creat |
22140 | 65 64 5f 61 74 00 d2 f1 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at...^FP....default_fingerpri |
22160 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 a4 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 | nt_size..........._id.V..f+r.+@. |
22180 | 00 a0 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 7f | ...warnings.......fingerprints.. |
221a0 | 02 00 00 04 4d 50 32 44 00 74 02 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d | ....MP2D.t....0.....8;1-1-1;2-2- |
221c0 | 31 3b 00 02 31 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d | 1;..1.....1;1-2-1;1-1-8;2-1-1;2- |
221e0 | 31 2d 32 3b 00 02 32 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b | 1-2;..2.....1;1-2-1;2-2-1;2-1-8; |
22200 | 00 02 33 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 00 | ..3.....1;1-2-1;2-3-1;2-1-2;..4. |
22220 | 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 00 02 | ....1;1-3-1;1-1-2;2-4-1;2-1-2;.. |
22240 | 35 00 15 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 35 2d 31 3b 00 02 36 00 15 00 | 5.....2;1-2-1;1-1-2;2-5-1;..6... |
22260 | 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 00 02 37 00 1b 00 00 00 31 3b | ..2;1-1-1;1-1-2;2-3-1;..7.....1; |
22280 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 38 00 15 00 00 00 | 1-1-1;1-1-2;2-2-1;2-1-2;..8..... |
222a0 | 31 3b 31 2d 33 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 00 02 39 00 15 00 00 00 31 3b 31 2d | 1;1-3-1;2-4-1;2-1-2;..9.....1;1- |
222c0 | 33 2d 31 3b 32 2d 35 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 30 00 0f 00 00 00 31 3b 31 2d 32 2d 31 | 3-1;2-5-1;2-1-2;..10.....1;1-2-1 |
222e0 | 3b 32 2d 33 2d 31 3b 00 02 31 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d | ;2-3-1;..11.....1;1-2-1;2-3-1;2- |
22300 | 31 2d 32 3b 00 02 31 32 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 | 1-2;..12.....1;1-3-1;1-1-2;2-4-1 |
22320 | 3b 32 2d 31 2d 39 3b 00 02 31 33 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 35 2d 31 3b 32 2d | ;2-1-9;..13.....1;1-3-1;2-5-1;2- |
22340 | 31 2d 32 3b 00 02 31 34 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 | 1-2;..14.....1;1-2-1;2-2-1;2-1-2 |
22360 | 3b 00 02 31 35 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d | ;..15.....1;1-1-1;1-1-2;2-2-1;2- |
22380 | 31 2d 39 3b 00 02 31 36 00 15 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 39 3b 32 2d 34 2d 31 | 1-9;..16.....2;1-2-1;1-1-9;2-4-1 |
223a0 | 3b 00 02 31 37 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 02 31 38 00 15 00 00 | ;..17.....9;1-1-2;2-2-1;..18.... |
223c0 | 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 39 00 21 00 00 00 31 3b | .1;1-1-1;2-2-1;2-1-2;..19.!...1; |
223e0 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 | 1-1-1;1-1-2;2-2-1;2-1-2;2-1-8;.. |
22400 | 32 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 | 20.....1;1-1-1;2-2-1;2-1-2;....s |
22420 | 6d 69 6c 65 73 00 26 00 00 00 4f 43 31 43 43 43 32 28 43 28 3d 43 43 43 33 43 32 43 43 43 32 28 | miles.&...OC1CCC2(C(=CCC3C2CCC2( |
22440 | 43 33 43 43 43 32 3d 4f 29 43 29 43 31 29 43 00 02 69 6e 63 68 69 00 6f 00 00 00 49 6e 43 68 49 | C3CCC2=O)C)C1)C..inchi.o...InChI |
22460 | 3d 31 53 2f 43 31 39 48 32 38 4f 32 2f 63 31 2d 31 38 2d 39 2d 37 2d 31 33 28 32 30 29 31 31 2d | =1S/C19H28O2/c1-18-9-7-13(20)11- |
22480 | 31 32 28 31 38 29 33 2d 34 2d 31 34 2d 31 35 2d 35 2d 36 2d 31 37 28 32 31 29 31 39 28 31 35 2c | 12(18)3-4-14-15-5-6-17(21)19(15, |
224a0 | 32 29 31 30 2d 38 2d 31 36 28 31 34 29 31 38 2f 68 33 2c 31 33 2d 31 36 2c 32 30 48 2c 34 2d 31 | 2)10-8-16(14)18/h3,13-16,20H,4-1 |
224c0 | 31 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 da f1 5e 46 50 01 00 00 09 63 | 1H2,1-2H3..updated_at...^FP....c |
224e0 | 72 65 61 74 65 64 5f 61 74 00 d9 f1 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at...^FP....default_finge |
22500 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 e7 04 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 | rprint_size..........._id.V..f+r |
22520 | ed 2b 40 00 00 a1 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .+@....warnings.......fingerprin |
22540 | 74 73 00 97 03 00 00 04 4d 50 32 44 00 8c 03 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b | ts......MP2D......0.....8;1-1-1; |
22560 | 32 2d 31 2d 33 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d | 2-1-3;..1.....1;1-1-3;1-1-8;2-2- |
22580 | 31 31 3b 00 02 32 00 2a 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 33 3b | 11;..2.*...3;1-1-1;1-2-11;2-1-3; |
225a0 | 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 02 33 00 2b 00 00 00 31 31 3b 31 | 2-1-8;2-1-11;2-1-13;..3.+...11;1 |
225c0 | 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 | -1-3;1-1-11;1-1-13;2-2-1;2-1-3;2 |
225e0 | 2d 31 2d 31 31 3b 00 02 34 00 18 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d | -1-11;..4.....13;1-1-11;2-1-3;2- |
22600 | 31 2d 31 31 3b 00 02 35 00 31 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d | 1-11;..5.1...11;1-1-1;1-1-3;1-1- |
22620 | 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 02 36 | 11;2-1-3;2-1-6;2-1-11;2-1-13;..6 |
22640 | 00 23 00 00 00 33 3b 31 2d 31 2d 36 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b | .#...3;1-1-6;1-2-11;2-2-1;2-1-3; |
22660 | 32 2d 31 2d 31 31 3b 00 02 37 00 1c 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 | 2-1-11;..7.....6;1-1-1;1-1-3;2-1 |
22680 | 2d 31 3b 32 2d 32 2d 31 31 3b 00 02 38 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b | -1;2-2-11;..8.....1;1-1-1;1-1-6; |
226a0 | 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 39 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d | 2-1-1;2-1-3;..9.....1;1-2-1;2-1- |
226c0 | 36 3b 32 2d 31 2d 38 3b 00 02 31 30 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 | 6;2-1-8;..10.....1;1-1-1;1-1-8;2 |
226e0 | 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 31 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -1-1;2-1-3;..11.....8;1-1-1;1-1- |
22700 | 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 32 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 3;2-1-1;2-2-3;..12.....3;1-2-3;1 |
22720 | 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d | -1-8;2-1-1;2-2-3;..13.....3;1-2- |
22740 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;2-2-3;2-1-8;..14.....3;1-2-3;2 |
22760 | 2d 32 2d 33 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | -2-3;..15.....3;1-2-3;2-1-1;2-2- |
22780 | 33 3b 00 02 31 36 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 3;..16.....3;1-1-1;1-2-3;2-2-3;2 |
227a0 | 2d 31 2d 35 3b 00 02 31 37 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | -1-5;..17.....3;1-2-3;2-1-1;2-2- |
227c0 | 33 3b 32 2d 31 2d 38 3b 00 02 31 38 00 1b 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 35 3b 32 | 3;2-1-8;..18.....1;1-1-3;1-1-5;2 |
227e0 | 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 39 00 15 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 32 2d | -2-1;2-2-3;..19.....5;1-3-1;2-2- |
22800 | 31 3b 32 2d 31 2d 33 3b 00 02 32 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 | 1;2-1-3;..20.....1;1-1-1;1-1-5;2 |
22820 | 2d 33 2d 31 3b 00 02 32 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d | -3-1;..21.....1;1-2-1;2-1-1;2-1- |
22840 | 35 3b 00 02 32 32 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 33 00 15 00 | 5;..22.....1;1-2-1;2-2-1;..23... |
22860 | 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 32 34 00 15 00 00 00 31 | ..1;1-2-1;2-1-1;2-1-5;..24.....1 |
22880 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 33 2d 31 3b 00 02 32 35 00 1d 00 00 00 31 31 3b 31 | ;1-1-1;1-1-5;2-3-1;..25.....11;1 |
228a0 | 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 32 2d 31 31 3b 00 02 32 36 00 17 00 00 | -2-3;2-1-1;2-1-6;2-2-11;..26.... |
228c0 | 00 31 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 00 00 02 73 6d 69 6c 65 | .1;1-1-11;2-1-3;2-1-11;....smile |
228e0 | 73 00 2b 00 00 00 4f 43 63 31 5b 6e 48 5d 6e 28 63 28 3d 4e 43 43 43 4f 63 32 63 63 63 63 28 63 | s.+...OCc1[nH]n(c(=NCCCOc2cccc(c |
22900 | 32 29 43 4e 32 43 43 43 43 43 32 29 6e 31 29 43 00 02 69 6e 63 68 69 00 95 00 00 00 49 6e 43 68 | 2)CN2CCCCC2)n1)C..inchi.....InCh |
22920 | 49 3d 31 53 2f 43 31 39 48 32 39 4e 35 4f 32 2f 63 31 2d 32 33 2d 31 39 28 32 31 2d 31 38 28 31 | I=1S/C19H29N5O2/c1-23-19(21-18(1 |
22940 | 35 2d 32 35 29 32 32 2d 32 33 29 32 30 2d 39 2d 36 2d 31 32 2d 32 36 2d 31 37 2d 38 2d 35 2d 37 | 5-25)22-23)20-9-6-12-26-17-8-5-7 |
22960 | 2d 31 36 28 31 33 2d 31 37 29 31 34 2d 32 34 2d 31 30 2d 33 2d 32 2d 34 2d 31 31 2d 32 34 2f 68 | -16(13-17)14-24-10-3-2-4-11-24/h |
22980 | 35 2c 37 2d 38 2c 31 33 2c 32 35 48 2c 32 2d 34 2c 36 2c 39 2d 31 32 2c 31 34 2d 31 35 48 32 2c | 5,7-8,13,25H,2-4,6,9-12,14-15H2, |
229a0 | 31 48 33 2c 28 48 2c 32 30 2c 32 31 2c 32 32 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 e2 f1 5e | 1H3,(H,20,21,22)..updated_at...^ |
229c0 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e0 f1 5e 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at...^FP....defaul |
229e0 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 1a 04 00 00 07 5f 69 64 | t_fingerprint_size..........._id |
22a00 | 00 56 16 1c 66 2b 72 ed 2b 40 00 00 a2 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..f+r.+@....warnings.......fin |
22a20 | 67 65 72 70 72 69 6e 74 73 00 fa 02 00 00 04 4d 50 32 44 00 ef 02 00 00 02 30 00 0f 00 00 00 31 | gerprints......MP2D......0.....1 |
22a40 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 | ;1-1-1;2-1-1;..1.....1;1-2-1;2-1 |
22a60 | 2d 31 3b 00 02 32 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 | -1;..2.....1;1-2-1;2-1-1;2-1-8;. |
22a80 | 02 33 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 00 02 34 00 0f | .3.....1;1-1-1;1-1-8;2-2-1;..4.. |
22aa0 | 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 35 00 1b 00 00 00 31 3b 31 2d 31 2d 31 | ...8;1-2-1;2-2-1;..5.....1;1-1-1 |
22ac0 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 36 00 1b 00 00 00 31 3b 31 2d 31 | ;1-1-8;2-1-1;2-1-8;..6.....1;1-1 |
22ae0 | 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 37 00 0f 00 00 00 38 3b 31 | -1;1-1-8;2-1-1;2-1-8;..7.....8;1 |
22b00 | 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 38 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 | -2-1;2-2-1;..8.....1;1-1-1;1-1-8 |
22b20 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 39 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | ;2-1-1;2-1-8;..9.....1;1-1-1;1-1 |
22b40 | 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 30 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b | -8;2-1-1;2-1-8;..10.....8;1-2-1; |
22b60 | 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 31 00 1b 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 | 2-1-1;2-1-3;..11.....1;1-1-3;1-1 |
22b80 | 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 32 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b | -8;2-1-1;2-2-3;..12.!...3;1-1-1; |
22ba0 | 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 33 00 1b 00 00 | 1-2-3;2-1-1;2-2-3;2-1-8;..13.... |
22bc0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 34 00 | .3;1-2-3;2-1-1;2-2-3;2-1-8;..14. |
22be0 | 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d | !...3;1-2-3;1-1-8;2-1-1;2-2-3;2- |
22c00 | 31 2d 38 3b 00 02 31 35 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | 1-8;..15.....8;1-1-1;1-1-3;2-2-3 |
22c20 | 3b 32 2d 31 2d 38 3b 00 02 31 36 00 0f 00 00 00 31 3b 31 2d 32 2d 38 3b 32 2d 32 2d 33 3b 00 02 | ;2-1-8;..16.....1;1-2-8;2-2-3;.. |
22c40 | 31 37 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 | 17.....8;1-1-1;1-1-3;2-2-3;2-1-8 |
22c60 | 3b 00 02 31 38 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d | ;..18.!...3;1-2-3;1-1-8;2-1-1;2- |
22c80 | 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 39 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 | 2-3;2-1-8;..19.....3;1-2-3;2-1-1 |
22ca0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 30 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d | ;2-2-3;2-1-8;..20.....3;1-1-1;1- |
22cc0 | 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 31 00 1b 00 00 00 31 3b 31 2d 31 2d 31 | 2-3;2-2-1;2-2-3;..21.....1;1-1-1 |
22ce0 | 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 32 00 0f 00 00 00 31 3b 31 2d | ;1-1-3;2-1-1;2-2-3;..22.....1;1- |
22d00 | 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 33 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 | 2-1;2-1-3;..23.....1;1-1-1;2-1-1 |
22d20 | 3b 00 00 00 02 73 6d 69 6c 65 73 00 1d 00 00 00 43 43 43 43 4f 43 43 4f 43 43 4f 43 63 31 63 63 | ;....smiles.....CCCCOCCOCCOCc1cc |
22d40 | 32 4f 43 4f 63 32 63 63 31 43 43 43 00 02 69 6e 63 68 69 00 73 00 00 00 49 6e 43 68 49 3d 31 53 | 2OCOc2cc1CCC..inchi.s...InChI=1S |
22d60 | 2f 43 31 39 48 33 30 4f 35 2f 63 31 2d 33 2d 35 2d 37 2d 32 30 2d 38 2d 39 2d 32 31 2d 31 30 2d | /C19H30O5/c1-3-5-7-20-8-9-21-10- |
22d80 | 31 31 2d 32 32 2d 31 34 2d 31 37 2d 31 33 2d 31 39 2d 31 38 28 32 33 2d 31 35 2d 32 34 2d 31 39 | 11-22-14-17-13-19-18(23-15-24-19 |
22da0 | 29 31 32 2d 31 36 28 31 37 29 36 2d 34 2d 32 2f 68 31 32 2d 31 33 48 2c 33 2d 31 31 2c 31 34 2d | )12-16(17)6-4-2/h12-13H,3-11,14- |
22dc0 | 31 35 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 e9 f1 5e 46 50 01 00 00 09 | 15H2,1-2H3..updated_at...^FP.... |
22de0 | 63 72 65 61 74 65 64 5f 61 74 00 e7 f1 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at...^FP....default_fing |
22e00 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 45 06 00 00 07 5f 69 64 00 56 16 1c 66 2b | erprint_size......E...._id.V..f+ |
22e20 | 72 ed 2b 40 00 00 a3 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.+@....warnings.......fingerpri |
22e40 | 6e 74 73 00 b9 04 00 00 04 4d 50 32 44 00 ae 04 00 00 02 30 00 0f 00 00 00 39 3b 31 2d 31 2d 32 | nts......MP2D......0.....9;1-1-2 |
22e60 | 3b 32 2d 32 2d 32 3b 00 02 31 00 21 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 39 3b 32 2d 31 | ;2-2-2;..1.!...2;1-2-2;1-1-9;2-1 |
22e80 | 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 00 02 32 00 1b 00 00 00 32 3b 31 2d 32 2d 32 3b 32 | -2;2-1-3;2-1-6;..2.....2;1-2-2;2 |
22ea0 | 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 1b 00 00 00 32 3b 31 2d 31 2d 32 | -1-2;2-1-3;2-1-9;..3.....2;1-1-2 |
22ec0 | 3b 31 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 00 1b 00 00 00 33 3b 31 2d 31 | ;1-1-3;2-1-2;2-2-3;..4.....3;1-1 |
22ee0 | 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 00 02 35 00 28 00 00 00 33 3b 31 | -2;1-2-3;2-2-2;2-2-3;..5.(...3;1 |
22f00 | 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 | -1-2;1-2-3;2-2-2;2-2-3;2-1-6;2-1 |
22f20 | 2d 31 30 3b 00 02 36 00 2e 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b | -10;..6.....2;1-1-2;1-1-3;1-1-6; |
22f40 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 37 00 1c 00 00 | 2-1-2;2-2-3;2-1-9;2-1-19;..7.... |
22f60 | 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 38 00 | .6;1-1-2;1-1-19;2-1-2;2-2-3;..8. |
22f80 | 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 | ....19;1-1-3;1-1-6;2-1-2;2-2-3;. |
22fa0 | 02 39 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 33 2d 33 3b 32 2d 31 2d | .9.....3;1-2-3;1-1-19;2-3-3;2-1- |
22fc0 | 36 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b | 6;..10.....3;1-2-3;2-2-3;2-1-19; |
22fe0 | 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 | ..11.....3;1-2-3;2-2-3;2-1-10;.. |
23000 | 31 32 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 33 2d 33 3b 32 2d 31 2d | 12."...3;1-2-3;1-1-10;2-3-3;2-1- |
23020 | 38 3b 32 2d 32 2d 39 3b 00 02 31 33 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 | 8;2-2-9;..13.....3;1-3-3;2-4-3;2 |
23040 | 2d 31 2d 31 30 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 | -1-10;..14.....3;1-3-3;2-4-3;2-1 |
23060 | 2d 31 39 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 36 00 | -19;..15.....3;1-2-3;2-3-3;..16. |
23080 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 37 00 0f 00 00 00 33 3b 31 2d 32 | ....3;1-2-3;2-2-3;..17.....3;1-2 |
230a0 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b | -3;2-2-3;..18.....3;1-2-3;2-3-3; |
230c0 | 00 02 31 39 00 1c 00 00 00 31 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d | ..19.....10;1-1-3;1-1-8;1-2-9;2- |
230e0 | 32 2d 33 3b 00 02 32 30 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d | 2-3;..20.....9;1-1-10;2-1-3;2-1- |
23100 | 38 3b 32 2d 31 2d 39 3b 00 02 32 31 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b | 8;2-1-9;..21.....9;1-1-10;2-1-3; |
23120 | 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 32 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 2d | 2-1-8;2-1-9;..22.....8;1-1-10;2- |
23140 | 31 2d 33 3b 32 2d 32 2d 39 3b 00 02 32 33 00 28 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | 1-3;2-2-9;..23.(...3;1-2-3;1-1-1 |
23160 | 30 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 32 34 00 16 | 0;2-1-2;2-2-3;2-1-8;2-2-9;..24.. |
23180 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 30 3b 00 02 32 35 00 22 00 00 | ...3;1-2-3;2-2-3;2-2-10;..25.".. |
231a0 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d | .3;1-2-3;1-1-10;2-2-3;2-1-8;2-2- |
231c0 | 39 3b 00 02 32 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 | 9;..26.....3;1-2-3;2-1-2;2-2-3;2 |
231e0 | 2d 31 2d 31 30 3b 00 02 32 37 00 1c 00 00 00 31 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d | -1-10;..27.....10;1-1-3;1-1-8;1- |
23200 | 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 32 38 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d | 2-9;2-2-3;..28.....9;1-1-10;2-1- |
23220 | 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 39 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b | 3;2-1-8;2-1-9;..29.....9;1-1-10; |
23240 | 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 33 30 00 16 00 00 00 38 3b 31 2d 31 | 2-1-3;2-1-8;2-1-9;..30.....8;1-1 |
23260 | 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 02 33 31 00 1c 00 00 00 31 30 3b 31 2d 31 2d | -10;2-1-3;2-2-9;..31.....10;1-1- |
23280 | 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 33 32 00 1c 00 00 00 39 3b 31 | 3;1-1-8;1-2-9;2-2-3;..32.....9;1 |
232a0 | 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 33 33 00 1c 00 00 | -1-10;2-1-3;2-1-8;2-1-9;..33.... |
232c0 | 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 33 34 | .9;1-1-10;2-1-3;2-1-8;2-1-9;..34 |
232e0 | 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 00 00 02 73 6d | .....8;1-1-10;2-1-3;2-2-9;....sm |
23300 | 69 6c 65 73 00 49 00 00 00 4f 3d 43 31 43 3d 43 63 32 63 28 43 31 3d 4e 4e 63 31 63 63 63 28 63 | iles.I...O=C1C=Cc2c(C1=NNc1ccc(c |
23320 | 33 63 31 63 63 63 63 33 29 53 28 3d 4f 29 28 3d 4f 29 4f 29 63 28 63 63 28 63 32 29 53 28 3d 4f | 3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O |
23340 | 29 28 3d 4f 29 4f 29 53 28 3d 4f 29 28 3d 4f 29 4f 00 02 69 6e 63 68 69 00 b3 00 00 00 49 6e 43 | )(=O)O)S(=O)(=O)O..inchi.....InC |
23360 | 68 49 3d 31 53 2f 43 32 30 48 31 34 4e 32 4f 31 30 53 33 2f 63 32 33 2d 31 36 2d 37 2d 35 2d 31 | hI=1S/C20H14N2O10S3/c23-16-7-5-1 |
23380 | 31 2d 39 2d 31 32 28 33 33 28 32 34 2c 32 35 29 32 36 29 31 30 2d 31 38 28 33 35 28 33 30 2c 33 | 1-9-12(33(24,25)26)10-18(35(30,3 |
233a0 | 31 29 33 32 29 31 39 28 31 31 29 32 30 28 31 36 29 32 32 2d 32 31 2d 31 35 2d 36 2d 38 2d 31 37 | 1)32)19(11)20(16)22-21-15-6-8-17 |
233c0 | 28 33 34 28 32 37 2c 32 38 29 32 39 29 31 34 2d 34 2d 32 2d 31 2d 33 2d 31 33 28 31 34 29 31 35 | (34(27,28)29)14-4-2-1-3-13(14)15 |
233e0 | 2f 68 31 2d 31 30 2c 32 31 48 2c 28 48 2c 32 34 2c 32 35 2c 32 36 29 28 48 2c 32 37 2c 32 38 2c | /h1-10,21H,(H,24,25,26)(H,27,28, |
23400 | 32 39 29 28 48 2c 33 30 2c 33 31 2c 33 32 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 f2 f1 5e 46 | 29)(H,30,31,32)..updated_at...^F |
23420 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f1 f1 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at...^FP....default |
23440 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 44 06 00 00 07 5f 69 64 00 | _fingerprint_size......D...._id. |
23460 | 56 16 1c 66 2b 72 ed 2b 40 00 00 a4 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..f+r.+@....warnings.......fing |
23480 | 65 72 70 72 69 6e 74 73 00 ba 04 00 00 04 4d 50 32 44 00 af 04 00 00 02 30 00 0f 00 00 00 39 3b | erprints......MP2D......0.....9; |
234a0 | 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 02 31 00 28 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d | 1-1-2;2-2-2;..1.(...2;1-2-2;1-1- |
234c0 | 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 30 3b 00 02 32 00 2e | 9;2-1-2;2-1-3;2-1-6;2-1-10;..2.. |
234e0 | 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 32 | ...2;1-1-2;1-1-3;1-1-6;2-1-2;2-2 |
23500 | 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 33 00 1c 00 00 00 36 3b 31 2d 31 2d 32 3b | -3;2-1-9;2-1-19;..3.....6;1-1-2; |
23520 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 00 1c 00 00 00 31 39 3b 31 2d | 1-1-19;2-1-2;2-2-3;..4.....19;1- |
23540 | 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 35 00 1c 00 00 00 33 3b | 1-3;1-1-6;2-1-2;2-2-3;..5.....3; |
23560 | 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 33 2d 33 3b 32 2d 31 2d 36 3b 00 02 36 00 16 00 00 | 1-2-3;1-1-19;2-3-3;2-1-6;..6.... |
23580 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 16 00 00 00 33 3b | .3;1-2-3;2-2-3;2-1-19;..7.....3; |
235a0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 38 00 22 00 00 00 33 3b 31 2d 32 | 1-2-3;2-2-3;2-1-10;..8."...3;1-2 |
235c0 | 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 39 00 | -3;1-1-10;2-3-3;2-1-8;2-2-9;..9. |
235e0 | 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 30 00 16 00 | ....3;1-3-3;2-4-3;2-1-10;..10... |
23600 | 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 0f 00 00 00 | ..3;1-3-3;2-4-3;2-1-19;..11..... |
23620 | 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-2-3;2-3-3;..12.....3;1-2-3;2 |
23640 | 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 | -2-3;..13.....3;1-2-3;2-2-3;..14 |
23660 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 35 00 1c 00 00 00 31 30 3b 31 | .....3;1-2-3;2-3-3;..15.....10;1 |
23680 | 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 31 36 00 1c 00 00 00 | -1-3;1-1-8;1-2-9;2-2-3;..16..... |
236a0 | 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 37 00 | 9;1-1-10;2-1-3;2-1-8;2-1-9;..17. |
236c0 | 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 | ....9;1-1-10;2-1-3;2-1-8;2-1-9;. |
236e0 | 02 31 38 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 | .18.....8;1-1-10;2-1-3;2-2-9;..1 |
23700 | 39 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b | 9.!...3;1-1-2;1-2-3;2-2-2;2-2-3; |
23720 | 32 2d 31 2d 36 3b 00 02 32 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 | 2-1-6;..20.....3;1-2-3;2-1-2;2-2 |
23740 | 2d 33 3b 00 02 32 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 | -3;..21.....3;1-2-3;2-2-3;2-1-10 |
23760 | 3b 00 02 32 32 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 33 3b 32 | ;..22."...3;1-2-3;1-1-10;2-2-3;2 |
23780 | 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 32 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | -1-8;2-2-9;..23.....3;1-2-3;2-1- |
237a0 | 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 32 34 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b | 2;2-2-3;2-1-10;..24.....3;1-1-2; |
237c0 | 31 2d 32 2d 33 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 35 00 22 00 00 00 32 3b 31 2d 31 | 1-2-3;2-2-2;2-2-3;..25."...2;1-1 |
237e0 | 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 32 36 | -2;1-1-3;2-1-2;2-2-3;2-1-10;..26 |
23800 | 00 28 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b | .(...2;1-2-2;1-1-10;2-1-2;2-1-3; |
23820 | 32 2d 31 2d 38 3b 32 2d 33 2d 39 3b 00 02 32 37 00 1c 00 00 00 31 30 3b 31 2d 31 2d 32 3b 31 2d | 2-1-8;2-3-9;..27.....10;1-1-2;1- |
23840 | 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 32 3b 00 02 32 38 00 1c 00 00 00 39 3b 31 2d 31 2d 31 | 1-8;1-2-9;2-2-2;..28.....9;1-1-1 |
23860 | 30 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 39 00 1c 00 00 00 39 3b 31 | 0;2-1-2;2-1-8;2-1-9;..29.....9;1 |
23880 | 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 33 30 00 16 00 00 | -1-10;2-1-2;2-1-8;2-1-9;..30.... |
238a0 | 00 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 2d 32 2d 39 3b 00 02 33 31 00 1c 00 00 00 31 | .8;1-1-10;2-1-2;2-2-9;..31.....1 |
238c0 | 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 33 32 00 1c | 0;1-1-3;1-1-8;1-2-9;2-2-3;..32.. |
238e0 | 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 | ...9;1-1-10;2-1-3;2-1-8;2-1-9;.. |
23900 | 33 33 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d | 33.....9;1-1-10;2-1-3;2-1-8;2-1- |
23920 | 39 3b 00 02 33 34 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b | 9;..34.....8;1-1-10;2-1-3;2-2-9; |
23940 | 00 00 00 02 73 6d 69 6c 65 73 00 47 00 00 00 4f 3d 43 31 43 28 3d 4e 4e 63 32 63 63 63 28 63 33 | ....smiles.G...O=C1C(=NNc2ccc(c3 |
23960 | 63 32 63 63 63 63 33 29 53 28 3d 4f 29 28 3d 4f 29 4f 29 63 32 63 63 63 28 63 63 32 43 3d 43 31 | c2cccc3)S(=O)(=O)O)c2ccc(cc2C=C1 |
23980 | 53 28 3d 4f 29 28 3d 4f 29 4f 29 53 28 3d 4f 29 28 3d 4f 29 4f 00 02 69 6e 63 68 69 00 b3 00 00 | S(=O)(=O)O)S(=O)(=O)O..inchi.... |
239a0 | 00 49 6e 43 68 49 3d 31 53 2f 43 32 30 48 31 34 4e 32 4f 31 30 53 33 2f 63 32 33 2d 32 30 2d 31 | .InChI=1S/C20H14N2O10S3/c23-20-1 |
239c0 | 38 28 33 35 28 33 30 2c 33 31 29 33 32 29 31 30 2d 31 31 2d 39 2d 31 32 28 33 33 28 32 34 2c 32 | 8(35(30,31)32)10-11-9-12(33(24,2 |
239e0 | 35 29 32 36 29 35 2d 36 2d 31 33 28 31 31 29 31 39 28 32 30 29 32 32 2d 32 31 2d 31 36 2d 37 2d | 5)26)5-6-13(11)19(20)22-21-16-7- |
23a00 | 38 2d 31 37 28 33 34 28 32 37 2c 32 38 29 32 39 29 31 35 2d 34 2d 32 2d 31 2d 33 2d 31 34 28 31 | 8-17(34(27,28)29)15-4-2-1-3-14(1 |
23a20 | 35 29 31 36 2f 68 31 2d 31 30 2c 32 31 48 2c 28 48 2c 32 34 2c 32 35 2c 32 36 29 28 48 2c 32 37 | 5)16/h1-10,21H,(H,24,25,26)(H,27 |
23a40 | 2c 32 38 2c 32 39 29 28 48 2c 33 30 2c 33 31 2c 33 32 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 | ,28,29)(H,30,31,32)..updated_at. |
23a60 | fd f1 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 fb f1 5e 46 50 01 00 00 10 64 65 66 | ..^FP....created_at...^FP....def |
23a80 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 0d 04 00 00 07 | ault_fingerprint_size........... |
23aa0 | 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 a5 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..f+r.+@....warnings....... |
23ac0 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 e8 02 00 00 04 4d 50 32 44 00 dd 02 00 00 02 30 00 0f 00 | fingerprints......MP2D......0... |
23ae0 | 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | ..8;1-1-3;2-2-3;..1.....3;1-2-3; |
23b00 | 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 00 02 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 1-1-8;2-2-3;..2.....3;1-2-3;2-2- |
23b20 | 33 3b 32 2d 31 2d 38 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | 3;2-1-8;..3.....3;1-2-3;2-1-1;2- |
23b40 | 32 2d 33 3b 00 02 34 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b | 2-3;..4.....3;1-1-1;1-2-3;2-4-3; |
23b60 | 32 2d 31 2d 38 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | 2-1-8;..5.....3;1-2-3;2-1-1;2-2- |
23b80 | 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 | 3;..6.....3;1-2-3;2-2-3;2-1-8;.. |
23ba0 | 37 00 1b 00 00 00 31 3b 31 2d 33 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 36 2d 33 3b | 7.....1;1-3-3;1-1-8;2-1-2;2-6-3; |
23bc0 | 00 02 38 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 33 3b 32 2d 31 2d | ..8.....8;1-1-1;1-1-2;2-4-3;2-1- |
23be0 | 39 3b 00 02 39 00 21 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d | 9;..9.!...2;1-1-3;1-1-8;1-1-9;2- |
23c00 | 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 | 1-1;2-2-3;..10.....9;1-1-2;2-1-3 |
23c20 | 3b 32 2d 31 2d 38 3b 00 02 31 31 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d | ;2-1-8;..11.'...3;1-1-2;1-2-3;2- |
23c40 | 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 32 00 21 00 00 00 33 | 1-1;2-2-3;2-1-8;2-1-9;..12.!...3 |
23c60 | 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 34 2d 33 3b 32 2d 31 2d 38 3b 00 | ;1-1-1;1-2-3;2-1-2;2-4-3;2-1-8;. |
23c80 | 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 34 | .13.....3;1-2-3;2-1-1;2-2-3;..14 |
23ca0 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d | .....3;1-2-3;2-2-3;..15.....3;1- |
23cc0 | 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 | 2-3;2-2-3;..16.....3;1-2-3;2-1-2 |
23ce0 | 3b 32 2d 32 2d 33 3b 00 02 31 37 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-3;..17.....3;1-1-1;1-2-3;2- |
23d00 | 34 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 | 4-3;2-1-8;..18.....3;1-2-3;2-1-1 |
23d20 | 3b 32 2d 32 2d 33 3b 00 02 31 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | ;2-2-3;..19.....3;1-2-3;2-2-3;2- |
23d40 | 31 2d 38 3b 00 02 32 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 | 1-8;..20.....3;1-2-3;1-1-8;2-2-3 |
23d60 | 3b 00 02 32 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 | ;..21.....3;1-2-3;2-2-3;2-1-8;.. |
23d80 | 32 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 33 00 | 22.....3;1-2-3;2-1-1;2-2-3;..23. |
23da0 | 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 2a 00 00 | ....8;1-1-3;2-2-3;....smiles.*.. |
23dc0 | 00 4f 63 31 63 63 63 28 63 63 31 29 43 31 28 4f 43 28 3d 4f 29 63 32 63 31 63 63 63 63 32 29 63 | .Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c |
23de0 | 31 63 63 63 28 63 63 31 29 4f 00 02 69 6e 63 68 69 00 6b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | 1ccc(cc1)O..inchi.k...InChI=1S/C |
23e00 | 32 30 48 31 34 4f 34 2f 63 32 31 2d 31 35 2d 39 2d 35 2d 31 33 28 36 2d 31 30 2d 31 35 29 32 30 | 20H14O4/c21-15-9-5-13(6-10-15)20 |
23e20 | 28 31 34 2d 37 2d 31 31 2d 31 36 28 32 32 29 31 32 2d 38 2d 31 34 29 31 38 2d 34 2d 32 2d 31 2d | (14-7-11-16(22)12-8-14)18-4-2-1- |
23e40 | 33 2d 31 37 28 31 38 29 31 39 28 32 33 29 32 34 2d 32 30 2f 68 31 2d 31 32 2c 32 31 2d 32 32 48 | 3-17(18)19(23)24-20/h1-12,21-22H |
23e60 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 04 f2 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at...^FP....created_at |
23e80 | 00 03 f2 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | ...^FP....default_fingerprint_si |
23ea0 | 7a 65 00 00 00 00 00 00 ef 04 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 a6 04 77 61 | ze..........._id.V..f+r.+@....wa |
23ec0 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b0 03 00 00 04 4d | rnings.......fingerprints......M |
23ee0 | 50 32 44 00 a5 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 | P2D......0.....1;1-1-8;2-1-3;..1 |
23f00 | 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 21 00 00 | .....8;1-1-1;1-1-3;2-2-3;..2.!.. |
23f20 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 | .3;1-2-3;1-1-8;2-1-1;2-2-3;2-1-8 |
23f40 | 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b 00 02 34 | ;..3.....3;1-2-3;2-2-3;2-2-8;..4 |
23f60 | 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 35 00 0f 00 00 | .....3;1-2-3;1-1-8;2-3-3;..5.... |
23f80 | 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 1b 00 00 00 33 3b 31 2d 33 2d 33 3b 32 | .8;1-1-3;2-2-3;..6.....3;1-3-3;2 |
23fa0 | 2d 33 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 37 00 1b 00 00 00 33 3b 31 2d 32 2d 33 | -3-3;2-1-8;2-2-9;..7.....3;1-2-3 |
23fc0 | 3b 31 2d 31 2d 39 3b 32 2d 34 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 27 00 00 00 33 3b 31 2d 32 | ;1-1-9;2-4-3;2-1-8;..8.'...3;1-2 |
23fe0 | 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 | -3;1-1-8;2-1-1;2-2-3;2-1-8;2-1-9 |
24000 | 3b 00 02 39 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | ;..9.....8;1-1-1;1-1-3;2-2-3;..1 |
24020 | 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 31 00 0f 00 00 00 39 3b 31 | 0.....1;1-1-8;2-1-3;..11.....9;1 |
24040 | 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 32 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | -2-3;2-4-3;..12.....3;1-2-3;1-1- |
24060 | 39 3b 32 2d 31 2d 31 3b 32 2d 34 2d 33 3b 00 02 31 33 00 1b 00 00 00 33 3b 31 2d 33 2d 33 3b 32 | 9;2-1-1;2-4-3;..13.....3;1-3-3;2 |
24080 | 2d 33 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 31 34 00 15 00 00 00 33 3b 31 2d 32 2d | -3-3;2-1-8;2-2-9;..14.....3;1-2- |
240a0 | 33 3b 31 2d 31 2d 39 3b 32 2d 34 2d 33 3b 00 02 31 35 00 0f 00 00 00 39 3b 31 2d 31 2d 33 3b 32 | 3;1-1-9;2-4-3;..15.....9;1-1-3;2 |
240c0 | 2d 32 2d 33 3b 00 02 31 36 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d | -2-3;..16.....3;1-2-3;1-1-8;2-1- |
240e0 | 31 3b 32 2d 33 2d 33 3b 00 02 31 37 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 | 1;2-3-3;..17.....8;1-1-1;1-1-3;2 |
24100 | 2d 32 2d 33 3b 00 02 31 38 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 39 | -2-3;..18.....1;1-1-8;2-1-3;..19 |
24120 | 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b 00 02 32 30 00 1b 00 | .....3;1-2-3;2-2-3;2-2-8;..20... |
24140 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 31 | ..3;1-2-3;1-1-8;2-2-1;2-2-3;..21 |
24160 | 00 2d 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 | .-...3;1-1-1;1-2-3;2-1-1;2-1-2;2 |
24180 | 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 32 00 2d 00 00 00 31 3b 31 2d 31 2d | -2-3;2-1-8;2-1-9;..22.-...1;1-1- |
241a0 | 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b | 1;1-1-2;1-1-3;2-1-2;2-2-3;2-1-8; |
241c0 | 32 2d 31 2d 39 3b 00 02 32 33 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 | 2-1-9;..23.!...2;1-1-1;1-1-2;2-1 |
241e0 | 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 34 00 15 00 00 00 32 3b 31 2d 31 2d 32 3b | -1;2-1-3;2-1-9;..24.....2;1-1-2; |
24200 | 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 00 02 32 35 00 21 00 00 00 39 3b 31 2d 31 2d 31 3b 31 2d 31 | 1-1-9;2-2-1;..25.!...9;1-1-1;1-1 |
24220 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 36 00 21 00 00 00 31 3b | -2;2-1-1;2-1-2;2-1-8;..26.!...1; |
24240 | 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 00 02 | 1-1-1;1-1-8;1-1-9;2-2-2;2-2-3;.. |
24260 | 32 37 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | 27.!...8;1-1-1;1-1-3;2-1-1;2-2-3 |
24280 | 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 31 00 00 00 43 4f 63 31 63 63 28 4f 29 63 | ;2-1-9;....smiles.1...COc1cc(O)c |
242a0 | 32 63 28 63 31 4f 43 29 6f 63 31 63 28 63 32 3d 4f 29 63 28 4f 43 29 63 63 32 63 31 43 31 43 3d | 2c(c1OC)oc1c(c2=O)c(OC)cc2c1C1C= |
242c0 | 43 4f 43 31 4f 32 00 02 69 6e 63 68 69 00 7e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 30 48 31 | COC1O2..inchi.~...InChI=1S/C20H1 |
242e0 | 36 4f 38 2f 63 31 2d 32 33 2d 31 30 2d 37 2d 31 31 2d 31 33 28 38 2d 34 2d 35 2d 32 36 2d 32 30 | 6O8/c1-23-10-7-11-13(8-4-5-26-20 |
24300 | 28 38 29 32 37 2d 31 31 29 31 38 2d 31 35 28 31 30 29 31 36 28 32 32 29 31 34 2d 39 28 32 31 29 | (8)27-11)18-15(10)16(22)14-9(21) |
24320 | 36 2d 31 32 28 32 34 2d 32 29 31 37 28 32 35 2d 33 29 31 39 28 31 34 29 32 38 2d 31 38 2f 68 34 | 6-12(24-2)17(25-3)19(14)28-18/h4 |
24340 | 2d 38 2c 32 30 2d 32 31 48 2c 31 2d 33 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 0e f2 5e 46 | -8,20-21H,1-3H3..updated_at...^F |
24360 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 0c f2 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at...^FP....default |
24380 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 35 05 00 00 07 5f 69 64 00 | _fingerprint_size......5...._id. |
243a0 | 56 16 1c 66 2b 72 ed 2b 40 00 00 a7 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..f+r.+@....warnings.......fing |
243c0 | 65 72 70 72 69 6e 74 73 00 d8 03 00 00 04 4d 50 32 44 00 cd 03 00 00 02 30 00 15 00 00 00 31 3b | erprints......MP2D......0.....1; |
243e0 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 1b 00 00 00 31 3b 31 2d 32 2d | 1-1-1;2-1-1;2-1-8;..1.....1;1-2- |
24400 | 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 32 00 21 00 00 00 38 3b 31 2d | 1;1-1-8;2-1-2;2-1-3;..2.!...8;1- |
24420 | 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 | 1-1;1-1-2;2-2-1;2-1-3;2-1-9;..3. |
24440 | 21 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d | !...2;1-1-3;1-1-8;1-1-9;2-1-1;2- |
24460 | 32 2d 33 3b 00 02 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b | 2-3;..4.....9;1-1-2;2-1-3;2-1-8; |
24480 | 00 02 35 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | ..5.'...3;1-1-2;1-2-3;2-1-1;2-2- |
244a0 | 33 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 36 00 28 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d | 3;2-2-8;2-1-9;..6.(...3;1-1-1;1- |
244c0 | 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 37 | 2-3;2-1-1;2-1-2;2-2-3;2-1-15;..7 |
244e0 | 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 | .!...1;1-1-1;1-1-3;2-1-1;2-2-3;2 |
24500 | 2d 31 2d 38 3b 00 02 38 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d | -1-8;..8.....3;1-2-3;1-1-15;2-1- |
24520 | 31 3b 32 2d 32 2d 33 3b 00 02 39 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | 1;2-2-3;..9.....15;1-1-3;2-2-3;. |
24540 | 02 31 30 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d | .10.....3;1-2-3;2-1-2;2-2-3;2-1- |
24560 | 31 35 3b 00 02 31 31 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | 15;..11.'...3;1-1-2;1-2-3;2-2-3; |
24580 | 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 32 00 1b 00 00 00 33 3b 31 2d 32 | 2-1-6;2-1-8;2-1-9;..12.....3;1-2 |
245a0 | 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 38 3b | -3;1-1-8;2-2-2;2-2-3;..13.....8; |
245c0 | 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 21 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 | 1-1-3;2-2-3;..14.!...2;1-1-3;1-1 |
245e0 | 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 35 00 27 00 00 00 36 3b | -6;1-1-9;2-1-1;2-2-3;..15.'...6; |
24600 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d | 1-1-1;1-1-2;2-1-1;2-1-2;2-1-3;2- |
24620 | 31 2d 39 3b 00 02 31 36 00 28 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 | 1-9;..16.(...1;1-1-1;1-1-2;1-1-6 |
24640 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 32 2d 33 32 3b 00 02 31 37 00 1c 00 00 00 32 3b 31 | ;2-1-2;2-1-3;2-2-32;..17.....2;1 |
24660 | 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 38 00 17 00 00 | -1-1;1-2-32;2-1-1;2-1-6;..18.... |
24680 | 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 31 39 00 17 00 00 00 | .32;1-1-2;2-1-1;2-1-32;..19..... |
246a0 | 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 32 30 00 21 00 00 00 31 | 32;1-1-2;2-1-1;2-1-32;..20.!...1 |
246c0 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 | ;1-1-1;1-1-3;2-1-2;2-2-3;2-1-6;. |
246e0 | 02 32 31 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | .21.....3;1-1-1;1-2-3;2-1-1;2-2- |
24700 | 33 3b 00 02 32 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | 3;..22.....3;1-2-3;2-1-1;2-2-3;. |
24720 | 02 32 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 34 00 0f 00 00 00 33 | .23.....3;1-2-3;2-2-3;..24.....3 |
24740 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;1-2-3;2-2-3;..25.....3;1-2-3;2- |
24760 | 32 2d 33 3b 00 02 32 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | 2-3;..26.....3;1-2-3;2-1-1;2-2-3 |
24780 | 3b 00 02 32 37 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 00 00 | ;..27.....9;1-1-2;2-1-3;2-1-6;.. |
247a0 | 00 02 73 6d 69 6c 65 73 00 35 00 00 00 43 43 31 4f 43 28 3d 4f 29 63 32 63 28 43 31 29 63 28 43 | ..smiles.5...CC1OC(=O)c2c(C1)c(C |
247c0 | 6c 29 63 63 28 63 32 4f 29 43 28 3d 4e 43 28 43 28 3d 4f 29 4f 29 43 63 31 63 63 63 63 63 31 29 | l)cc(c2O)C(=NC(C(=O)O)Cc1ccccc1) |
247e0 | 4f 00 02 69 6e 63 68 69 00 98 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 30 48 31 38 43 6c 4e 4f | O..inchi.....InChI=1S/C20H18ClNO |
24800 | 36 2f 63 31 2d 31 30 2d 37 2d 31 32 2d 31 34 28 32 31 29 39 2d 31 33 28 31 37 28 32 33 29 31 36 | 6/c1-10-7-12-14(21)9-13(17(23)16 |
24820 | 28 31 32 29 32 30 28 32 37 29 32 38 2d 31 30 29 31 38 28 32 34 29 32 32 2d 31 35 28 31 39 28 32 | (12)20(27)28-10)18(24)22-15(19(2 |
24840 | 35 29 32 36 29 38 2d 31 31 2d 35 2d 33 2d 32 2d 34 2d 36 2d 31 31 2f 68 32 2d 36 2c 39 2d 31 30 | 5)26)8-11-5-3-2-4-6-11/h2-6,9-10 |
24860 | 2c 31 35 2c 32 33 48 2c 37 2d 38 48 32 2c 31 48 33 2c 28 48 2c 32 32 2c 32 34 29 28 48 2c 32 35 | ,15,23H,7-8H2,1H3,(H,22,24)(H,25 |
24880 | 2c 32 36 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 16 f2 5e 46 50 01 00 00 09 63 72 65 61 74 65 | ,26)..updated_at...^FP....create |
248a0 | 64 5f 61 74 00 14 f2 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at...^FP....default_fingerprin |
248c0 | 74 5f 73 69 7a 65 00 00 00 00 00 00 47 04 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 | t_size......G...._id.V..f+r.+@.. |
248e0 | a8 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 20 03 | ..warnings.......fingerprints... |
24900 | 00 00 04 4d 50 32 44 00 15 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 | ...MP2D......0.....1;1-1-8;2-1-3 |
24920 | 3b 00 02 31 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 | ;..1.....8;1-1-1;1-1-3;2-2-3;..2 |
24940 | 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 | .....3;1-2-3;1-1-8;2-1-1;2-3-3;. |
24960 | 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b 00 02 34 00 21 | .3.....3;1-2-3;2-2-3;2-2-8;..4.! |
24980 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 | ...3;1-2-3;1-1-8;2-1-1;2-1-2;2-2 |
249a0 | 2d 33 3b 00 02 35 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 | -3;..5.!...8;1-1-1;1-1-3;2-2-1;2 |
249c0 | 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 | -1-2;2-2-3;..6.!...1;1-2-1;1-1-2 |
249e0 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 37 00 1b 00 00 00 31 3b 31 2d 31 | ;1-1-8;2-1-2;2-1-3;..7.....1;1-1 |
24a00 | 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 38 00 1b 00 00 00 31 3b 31 | -1;2-1-1;2-1-2;2-1-8;..8.....1;1 |
24a20 | 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 39 00 21 00 00 00 32 | -1-1;2-1-1;2-1-2;2-1-8;..9.!...2 |
24a40 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 | ;1-1-1;1-1-2;2-2-1;2-1-3;2-1-8;. |
24a60 | 02 31 30 00 1b 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | .10.....2;1-1-2;1-1-3;2-1-1;2-2- |
24a80 | 33 3b 00 02 31 31 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 | 3;..11.(...3;1-1-2;1-2-3;2-1-2;2 |
24aa0 | 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 31 32 00 22 00 00 00 33 3b 31 2d 32 | -2-3;2-1-8;2-1-11;..12."...3;1-2 |
24ac0 | 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 34 2d 33 3b 00 02 31 33 | -3;1-1-11;2-1-1;2-1-2;2-4-3;..13 |
24ae0 | 00 22 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 | ."...3;1-3-3;2-3-3;2-1-8;2-1-9;2 |
24b00 | 2d 31 2d 31 31 3b 00 02 31 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 34 | -1-11;..14.....3;1-2-3;1-1-9;2-4 |
24b20 | 2d 33 3b 00 02 31 35 00 0f 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 1c | -3;..15.....9;1-1-3;2-2-3;..16.. |
24b40 | 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 | ...3;1-3-3;2-3-3;2-1-9;2-1-11;.. |
24b60 | 31 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 34 2d | 17.....3;1-2-3;1-1-11;2-1-1;2-4- |
24b80 | 33 3b 00 02 31 38 00 16 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b | 3;..18.....11;1-1-1;1-2-3;2-4-3; |
24ba0 | 00 02 31 39 00 10 00 00 00 31 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 32 30 00 16 00 00 | ..19.....1;1-1-11;2-2-3;..20.... |
24bc0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 31 00 0f 00 00 00 33 | .3;1-2-3;2-2-3;2-1-11;..21.....3 |
24be0 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;1-2-3;2-2-3;..22.....3;1-2-3;2- |
24c00 | 32 2d 33 3b 00 02 32 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 00 00 02 73 | 2-3;..23.....3;1-2-3;2-3-3;....s |
24c20 | 6d 69 6c 65 73 00 2b 00 00 00 43 4f 63 31 63 63 32 4f 43 28 43 29 28 43 29 43 3d 43 63 32 63 32 | miles.+...COc1cc2OC(C)(C)C=Cc2c2 |
24c40 | 63 31 63 28 3d 4f 29 63 31 63 28 6e 32 43 29 63 63 63 63 31 00 02 69 6e 63 68 69 00 6c 00 00 00 | c1c(=O)c1c(n2C)cccc1..inchi.l... |
24c60 | 49 6e 43 68 49 3d 31 53 2f 43 32 30 48 31 39 4e 4f 33 2f 63 31 2d 32 30 28 32 29 31 30 2d 39 2d | InChI=1S/C20H19NO3/c1-20(2)10-9- |
24c80 | 31 33 2d 31 35 28 32 34 2d 32 30 29 31 31 2d 31 36 28 32 33 2d 34 29 31 37 2d 31 38 28 31 33 29 | 13-15(24-20)11-16(23-4)17-18(13) |
24ca0 | 32 31 28 33 29 31 34 2d 38 2d 36 2d 35 2d 37 2d 31 32 28 31 34 29 31 39 28 31 37 29 32 32 2f 68 | 21(3)14-8-6-5-7-12(14)19(17)22/h |
24cc0 | 35 2d 31 31 48 2c 31 2d 34 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 2c f2 5e 46 50 01 00 00 | 5-11H,1-4H3..updated_at.,.^FP... |
24ce0 | 09 63 72 65 61 74 65 64 5f 61 74 00 2b f2 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.+.^FP....default_fin |
24d00 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 23 04 00 00 07 5f 69 64 00 56 16 1c 66 | gerprint_size......#...._id.V..f |
24d20 | 2b 72 ed 2b 40 00 00 a9 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.+@....warnings.......fingerpr |
24d40 | 69 6e 74 73 00 e9 02 00 00 04 4d 50 32 44 00 de 02 00 00 02 30 00 17 00 00 00 33 32 3b 31 2d 31 | ints......MP2D......0.....32;1-1 |
24d60 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 31 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b | -2;2-1-1;2-1-32;..1.....2;1-1-1; |
24d80 | 31 2d 32 2d 33 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 00 17 00 00 00 33 32 3b 31 2d | 1-2-32;2-2-1;2-1-8;..2.....32;1- |
24da0 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 33 00 22 00 00 00 31 3b 31 2d 32 2d 31 | 1-2;2-1-1;2-1-32;..3."...1;1-2-1 |
24dc0 | 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 32 2d 32 2d 33 32 3b 00 02 34 00 21 00 | ;1-1-2;1-1-8;2-1-3;2-2-32;..4.!. |
24de0 | 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d | ..8;1-1-1;1-1-3;2-2-1;2-1-2;2-2- |
24e00 | 33 3b 00 02 35 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d | 3;..5.....3;1-2-3;1-1-8;2-1-1;2- |
24e20 | 32 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b | 2-3;..6.....3;1-2-3;2-2-3;2-1-8; |
24e40 | 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 00 | ..7.....3;1-2-3;2-1-1;2-2-3;..8. |
24e60 | 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 | ....3;1-1-1;1-2-3;2-1-1;2-3-3;.. |
24e80 | 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 15 | 9.....3;1-2-3;2-1-1;2-2-3;..10.. |
24ea0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 31 00 1b 00 00 00 | ...3;1-2-3;2-2-3;2-1-8;..11..... |
24ec0 | 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 34 2d 33 3b 00 02 31 32 00 15 | 1;1-1-1;1-2-3;2-1-1;2-4-3;..12.. |
24ee0 | 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 33 00 15 00 00 00 | ...1;1-2-1;2-1-1;2-2-3;..13..... |
24f00 | 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 34 00 1b 00 00 00 31 3b 31 | 1;1-2-1;2-1-1;2-1-3;..14.....1;1 |
24f20 | 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 35 00 1b 00 00 00 | -1-1;1-1-3;2-1-1;2-2-3;..15..... |
24f40 | 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 36 00 1b | 3;1-1-1;1-2-3;2-2-1;2-2-3;..16.. |
24f60 | 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 33 2d 33 3b 00 02 31 | ...3;1-1-1;1-2-3;2-2-1;2-3-3;..1 |
24f80 | 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 38 00 0f | 7.....3;1-2-3;2-1-1;2-2-3;..18.. |
24fa0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 39 00 0f 00 00 00 33 3b 31 2d 32 2d | ...3;1-2-3;2-2-3;..19.....3;1-2- |
24fc0 | 33 3b 32 2d 32 2d 33 3b 00 02 32 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 | 3;2-2-3;..20.....3;1-2-3;2-1-1;2 |
24fe0 | 2d 32 2d 33 3b 00 02 32 31 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d | -2-3;..21.....1;1-1-1;2-1-1;2-1- |
25000 | 32 3b 32 2d 31 2d 38 3b 00 02 32 32 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 | 2;2-1-8;..22.....1;1-1-1;2-1-1;2 |
25020 | 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 27 00 00 00 4f 43 28 3d 4f 29 | -1-2;2-1-8;....smiles.'...OC(=O) |
25040 | 43 28 4f 63 31 63 63 63 28 63 63 31 29 43 31 43 43 43 63 32 63 31 63 63 63 63 32 29 28 43 29 43 | C(Oc1ccc(cc1)C1CCCc2c1cccc2)(C)C |
25060 | 00 02 69 6e 63 68 69 00 83 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 30 48 32 32 4f 33 2f 63 31 | ..inchi.....InChI=1S/C20H22O3/c1 |
25080 | 2d 32 30 28 32 2c 31 39 28 32 31 29 32 32 29 32 33 2d 31 36 2d 31 32 2d 31 30 2d 31 35 28 31 31 | -20(2,19(21)22)23-16-12-10-15(11 |
250a0 | 2d 31 33 2d 31 36 29 31 38 2d 39 2d 35 2d 37 2d 31 34 2d 36 2d 33 2d 34 2d 38 2d 31 37 28 31 34 | -13-16)18-9-5-7-14-6-3-4-8-17(14 |
250c0 | 29 31 38 2f 68 33 2d 34 2c 36 2c 38 2c 31 30 2d 31 33 2c 31 38 48 2c 35 2c 37 2c 39 48 32 2c 31 | )18/h3-4,6,8,10-13,18H,5,7,9H2,1 |
250e0 | 2d 32 48 33 2c 28 48 2c 32 31 2c 32 32 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 33 f2 5e 46 50 | -2H3,(H,21,22)..updated_at.3.^FP |
25100 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 32 f2 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.2.^FP....default_ |
25120 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 d0 03 00 00 07 5f 69 64 00 56 | fingerprint_size..........._id.V |
25140 | 16 1c 66 2b 72 ed 2b 40 00 00 aa 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..f+r.+@....warnings.......finge |
25160 | 72 70 72 69 6e 74 73 00 9c 02 00 00 04 4d 50 32 44 00 91 02 00 00 02 30 00 0f 00 00 00 34 3b 31 | rprints......MP2D......0.....4;1 |
25180 | 2d 31 2d 34 3b 32 2d 31 2d 31 3b 00 02 31 00 1b 00 00 00 34 3b 31 2d 31 2d 31 3b 31 2d 31 2d 34 | -1-4;2-1-1;..1.....4;1-1-1;1-1-4 |
251a0 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 | ;2-2-1;2-1-8;..2.!...1;1-2-1;1-1 |
251c0 | 2d 34 3b 31 2d 31 2d 38 3b 32 2d 34 2d 31 3b 32 2d 31 2d 34 3b 00 02 33 00 15 00 00 00 38 3b 31 | -4;1-1-8;2-4-1;2-1-4;..3.....8;1 |
251e0 | 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 34 3b 00 02 34 00 1b 00 00 00 31 3b 31 2d 32 2d 31 | -1-1;2-2-1;2-1-4;..4.....1;1-2-1 |
25200 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 34 3b 32 2d 31 2d 38 3b 00 02 35 00 0f 00 00 00 31 3b 31 2d 32 | ;2-2-1;2-1-4;2-1-8;..5.....1;1-2 |
25220 | 2d 31 3b 32 2d 33 2d 31 3b 00 02 36 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 36 2d 31 3b 00 | -1;2-3-1;..6.....1;1-3-1;2-6-1;. |
25240 | 02 37 00 1b 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 34 3b 32 2d 31 2d 38 | .7.....1;1-4-1;2-4-1;2-1-4;2-1-8 |
25260 | 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 39 00 0f 00 00 00 31 | ;..8.....1;1-1-1;2-3-1;..9.....1 |
25280 | 3b 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b 00 02 31 30 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d | ;1-2-1;2-4-1;..10.....1;1-2-1;2- |
252a0 | 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 31 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 | 2-1;2-1-3;..11.....1;1-2-1;1-1-3 |
252c0 | 3b 32 2d 33 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 32 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d | ;2-3-1;2-2-3;..12.....1;1-3-1;2- |
252e0 | 34 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 33 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 | 4-1;2-1-3;..13.....1;1-2-1;2-2-1 |
25300 | 3b 32 2d 31 2d 33 3b 00 02 31 34 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d | ;2-1-3;..14.....1;1-1-1;1-1-3;2- |
25320 | 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 35 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 | 1-1;2-2-3;..15.....3;1-1-1;1-2-3 |
25340 | 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 36 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d | ;2-2-1;2-2-3;..16.....3;1-1-1;1- |
25360 | 32 2d 33 3b 32 2d 33 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-3-1;2-2-3;..17.....3;1-2-3 |
25380 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-1-1;2-2-3;..18.....3;1-2-3;2- |
253a0 | 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 | 2-3;2-1-8;..19.....3;1-2-3;1-1-8 |
253c0 | 3b 32 2d 32 2d 33 3b 00 02 32 30 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | ;2-2-3;..20.....3;1-2-3;2-1-1;2- |
253e0 | 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 31 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | 2-3;2-1-8;..21.....8;1-1-3;2-2-3 |
25400 | 3b 00 00 00 02 73 6d 69 6c 65 73 00 26 00 00 00 43 23 43 43 31 28 4f 29 43 43 43 32 43 31 28 43 | ;....smiles.&...C#CC1(O)CCC2C1(C |
25420 | 29 43 43 43 31 43 32 43 43 63 32 63 31 63 63 63 28 63 32 29 4f 00 02 69 6e 63 68 69 00 7e 00 00 | )CCC1C2CCc2c1ccc(c2)O..inchi.~.. |
25440 | 00 49 6e 43 68 49 3d 31 53 2f 43 32 30 48 32 34 4f 32 2f 63 31 2d 33 2d 32 30 28 32 32 29 31 31 | .InChI=1S/C20H24O2/c1-3-20(22)11 |
25460 | 2d 39 2d 31 38 2d 31 37 2d 36 2d 34 2d 31 33 2d 31 32 2d 31 34 28 32 31 29 35 2d 37 2d 31 35 28 | -9-18-17-6-4-13-12-14(21)5-7-15( |
25480 | 31 33 29 31 36 28 31 37 29 38 2d 31 30 2d 31 39 28 31 38 2c 32 30 29 32 2f 68 31 2c 35 2c 37 2c | 13)16(17)8-10-19(18,20)2/h1,5,7, |
254a0 | 31 32 2c 31 36 2d 31 38 2c 32 31 2d 32 32 48 2c 34 2c 36 2c 38 2d 31 31 48 32 2c 32 48 33 00 09 | 12,16-18,21-22H,4,6,8-11H2,2H3.. |
254c0 | 75 70 64 61 74 65 64 5f 61 74 00 3a f2 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 39 | updated_at.:.^FP....created_at.9 |
254e0 | f2 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | .^FP....default_fingerprint_size |
25500 | 00 00 00 00 00 00 ea 04 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed 2b 40 00 00 ab 04 77 61 72 6e | ..........._id.V..f+r.+@....warn |
25520 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 9f 03 00 00 04 4d 50 32 | ings.......fingerprints......MP2 |
25540 | 44 00 94 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 02 31 00 1b | D......0.....1;1-1-2;2-1-2;..1.. |
25560 | 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 | ...2;1-1-1;1-1-2;2-1-1;2-1-2;..2 |
25580 | 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 | .!...2;1-1-1;1-2-2;2-1-1;2-1-8;2 |
255a0 | 2d 31 2d 39 3b 00 02 33 00 21 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 | -1-9;..3.!...2;1-1-2;1-1-8;1-1-9 |
255c0 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 | ;2-2-1;2-1-2;..4.....9;1-1-2;2-1 |
255e0 | 2d 32 3b 32 2d 31 2d 38 3b 00 02 35 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 | -2;2-1-8;..5.!...8;1-1-1;1-1-2;2 |
25600 | 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 36 00 21 00 00 00 31 3b 31 2d 32 2d 31 | -2-1;2-1-2;2-1-9;..6.!...1;1-2-1 |
25620 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 35 3b 00 02 37 00 1b 00 00 | ;1-1-8;2-1-1;2-2-2;2-1-5;..7.... |
25640 | 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b 00 02 38 00 15 | .1;1-2-1;2-1-1;2-1-5;2-1-8;..8.. |
25660 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 33 2d 31 3b 00 02 39 00 15 00 00 00 35 | ...1;1-1-1;1-1-5;2-3-1;..9.....5 |
25680 | 3b 31 2d 33 2d 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 30 00 27 00 00 00 31 3b 31 2d | ;1-3-1;2-2-1;2-2-2;..10.'...1;1- |
256a0 | 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 35 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d | 1-1;1-1-2;1-1-5;2-4-1;2-1-2;2-1- |
256c0 | 38 3b 00 02 31 31 00 21 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 | 8;..11.!...2;1-2-1;1-1-2;2-2-1;2 |
256e0 | 2d 31 2d 35 3b 32 2d 31 2d 38 3b 00 02 31 32 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -1-5;2-1-8;..12.....2;1-1-1;1-1- |
25700 | 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 33 00 1b 00 00 00 31 3b 31 2d 31 2d 32 3b 31 | 2;2-2-1;2-1-5;..13.....1;1-1-2;1 |
25720 | 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 34 00 1b 00 00 00 31 3b 31 2d 31 2d | -1-5;2-2-1;2-1-2;..14.....1;1-1- |
25740 | 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 35 00 21 00 00 00 38 3b 31 | 2;1-1-8;2-1-1;2-2-2;..15.!...8;1 |
25760 | 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 | -1-1;1-1-2;2-1-1;2-1-2;2-1-9;..1 |
25780 | 36 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b | 6.!...2;1-1-1;1-1-8;1-1-9;2-3-1; |
257a0 | 32 2d 31 2d 38 3b 00 02 31 37 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 | 2-1-8;..17.....9;1-1-2;2-1-1;2-1 |
257c0 | 2d 38 3b 00 02 31 38 00 27 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b | -8;..18.'...1;1-2-1;1-1-2;1-1-8; |
257e0 | 32 2d 33 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 39 00 21 00 00 00 31 3b 31 2d 32 | 2-3-1;2-2-8;2-1-9;..19.!...1;1-2 |
25800 | 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 30 00 | -1;1-1-8;2-1-1;2-1-2;2-1-8;..20. |
25820 | 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 31 00 15 00 00 00 31 3b 31 2d 31 | ....8;1-1-1;2-2-1;..21.....1;1-1 |
25840 | 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 32 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b | -1;2-1-1;2-1-8;..22.....1;1-3-1; |
25860 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 33 00 0f 00 00 00 31 3b 31 2d 31 | 2-1-1;2-1-2;2-1-8;..23.....1;1-1 |
25880 | 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 34 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b | -1;2-2-1;..24.....1;1-1-1;2-2-1; |
258a0 | 00 02 32 35 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 | ..25.....8;1-1-1;2-2-1;2-1-2;..2 |
258c0 | 36 00 0f 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 34 | 6.....1;1-1-2;2-2-2;....smiles.4 |
258e0 | 00 00 00 43 43 3d 43 28 43 28 3d 4f 29 4f 43 31 43 43 4e 32 43 31 43 28 3d 43 43 32 29 43 4f 43 | ...CC=C(C(=O)OC1CCN2C1C(=CC2)COC |
25900 | 28 3d 4f 29 43 28 43 28 4f 29 43 29 28 43 28 43 29 43 29 4f 29 43 00 02 69 6e 63 68 69 00 87 00 | (=O)C(C(O)C)(C(C)C)O)C..inchi... |
25920 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 30 48 33 31 4e 4f 36 2f 63 31 2d 36 2d 31 33 28 34 29 31 | ..InChI=1S/C20H31NO6/c1-6-13(4)1 |
25940 | 38 28 32 33 29 32 37 2d 31 36 2d 38 2d 31 30 2d 32 31 2d 39 2d 37 2d 31 35 28 31 37 28 31 36 29 | 8(23)27-16-8-10-21-9-7-15(17(16) |
25960 | 32 31 29 31 31 2d 32 36 2d 31 39 28 32 34 29 32 30 28 32 35 2c 31 32 28 32 29 33 29 31 34 28 35 | 21)11-26-19(24)20(25,12(2)3)14(5 |
25980 | 29 32 32 2f 68 36 2d 37 2c 31 32 2c 31 34 2c 31 36 2d 31 37 2c 32 32 2c 32 35 48 2c 38 2d 31 31 | )22/h6-7,12,14,16-17,22,25H,8-11 |
259a0 | 48 32 2c 31 2d 35 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 41 f2 5e 46 50 01 00 00 09 63 72 | H2,1-5H3..updated_at.A.^FP....cr |
259c0 | 65 61 74 65 64 5f 61 74 00 40 f2 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at.@.^FP....default_finger |
259e0 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 48 03 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 ed | print_size......H...._id.V..f+r. |
25a00 | 2b 40 00 00 ac 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | +@....warnings.......fingerprint |
25a20 | 73 00 2b 02 00 00 04 4d 50 32 44 00 20 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 | s.+....MP2D......0.....1;1-1-3;2 |
25a40 | 2d 32 2d 33 3b 00 02 31 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 | -2-3;..1.....3;1-1-1;1-2-3;2-1-1 |
25a60 | 3b 32 2d 32 2d 33 3b 00 02 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 | ;2-2-3;..2.....3;1-2-3;2-1-1;2-2 |
25a80 | 2d 33 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 34 00 0f 00 00 | -3;..3.....3;1-2-3;2-3-3;..4.... |
25aa0 | 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 | .3;1-3-3;2-4-3;..5.....3;1-3-3;2 |
25ac0 | 2d 32 2d 31 3b 32 2d 34 2d 33 3b 00 02 36 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 | -2-1;2-4-3;..6.....3;1-1-1;1-2-3 |
25ae0 | 3b 32 2d 32 2d 31 3b 32 2d 33 2d 33 3b 00 02 37 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | ;2-2-1;2-3-3;..7.....1;1-1-1;1-1 |
25b00 | 2d 33 3b 32 2d 33 2d 33 3b 00 02 38 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 | -3;2-3-3;..8.....1;1-1-1;1-1-3;2 |
25b20 | 2d 33 2d 33 3b 00 02 39 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 | -3-3;..9.....3;1-1-1;1-2-3;2-1-1 |
25b40 | 3b 32 2d 34 2d 33 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 31 2d 31 3b 32 2d | ;2-4-3;..10.....3;1-3-3;2-1-1;2- |
25b60 | 34 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 35 2d 33 3b 00 02 31 32 00 | 4-3;..11.....3;1-3-3;2-5-3;..12. |
25b80 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 33 | ....3;1-2-3;2-4-3;..13.....3;1-3 |
25ba0 | 2d 33 3b 32 2d 35 2d 33 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b | -3;2-5-3;..14.....3;1-2-3;2-3-3; |
25bc0 | 00 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 0f 00 00 00 | ..15.....3;1-2-3;2-2-3;..16..... |
25be0 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-2-3;2-2-3;..17.....3;1-2-3;2 |
25c00 | 2d 33 2d 33 3b 00 02 31 38 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 39 | -3-3;..18.....3;1-3-3;2-4-3;..19 |
25c20 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 32 30 00 0f 00 00 00 33 3b 31 2d | .....3;1-2-3;2-3-3;..20.....3;1- |
25c40 | 32 2d 33 3b 32 2d 33 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 22 00 00 00 43 63 31 63 63 63 32 | 2-3;2-3-3;....smiles."...Cc1ccc2 |
25c60 | 63 33 63 31 43 43 63 33 63 31 63 28 63 32 29 63 32 63 63 63 63 63 32 63 63 31 00 02 69 6e 63 68 | c3c1CCc3c1c(c2)c2ccccc2cc1..inch |
25c80 | 69 00 6b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 31 48 31 36 2f 63 31 2d 31 33 2d 36 2d 37 2d | i.k...InChI=1S/C21H16/c1-13-6-7- |
25ca0 | 31 35 2d 31 32 2d 32 30 2d 31 37 2d 35 2d 33 2d 32 2d 34 2d 31 34 28 31 37 29 38 2d 39 2d 31 38 | 15-12-20-17-5-3-2-4-14(17)8-9-18 |
25cc0 | 28 32 30 29 31 39 2d 31 31 2d 31 30 2d 31 36 28 31 33 29 32 31 28 31 35 29 31 39 2f 68 32 2d 39 | (20)19-11-10-16(13)21(15)19/h2-9 |
25ce0 | 2c 31 32 48 2c 31 30 2d 31 31 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 48 f2 5e | ,12H,10-11H2,1H3..updated_at.H.^ |
25d00 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 47 f2 5e 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at.G.^FP....defaul |
25d20 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 99 05 00 00 07 5f 69 64 | t_fingerprint_size..........._id |
25d40 | 00 56 16 1c 66 2b 72 ed 2b 40 00 00 ad 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..f+r.+@....warnings.......fin |
25d60 | 67 65 72 70 72 69 6e 74 73 00 3a 04 00 00 04 4d 50 32 44 00 2f 04 00 00 02 30 00 16 00 00 00 31 | gerprints.:....MP2D./....0.....1 |
25d80 | 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 00 1c 00 00 00 33 3b 31 2d | ;1-1-3;2-1-3;2-1-11;..1.....3;1- |
25da0 | 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 32 00 1c 00 00 00 33 | 1-1;1-1-3;1-1-11;2-2-3;..2.....3 |
25dc0 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 33 00 15 00 | ;1-2-3;2-1-1;2-1-3;2-1-11;..3... |
25de0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 1c 00 00 00 33 3b | ..3;1-2-3;2-1-1;2-2-3;..4.....3; |
25e00 | 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 35 00 1c 00 00 | 1-1-1;1-2-3;2-2-3;2-1-11;..5.... |
25e20 | 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 | .3;1-1-3;1-1-11;2-1-1;2-2-3;..6. |
25e40 | 16 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 0f 00 00 | ....11;1-2-3;2-1-1;2-2-3;..7.... |
25e60 | 00 31 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 38 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 | .1;1-2-3;2-4-3;..8."...3;1-1-1;1 |
25e80 | 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 31 3b 00 02 39 00 23 00 00 00 | -2-3;2-1-3;2-1-8;2-2-11;..9.#... |
25ea0 | 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | 3;1-1-3;1-1-11;2-1-1;2-2-3;2-1-1 |
25ec0 | 33 3b 00 02 31 30 00 24 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 31 2d 33 | 3;..10.$...11;1-2-3;1-1-13;2-1-3 |
25ee0 | 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 | ;2-1-6;2-1-11;..11.....13;1-1-11 |
25f00 | 3b 32 2d 32 2d 33 3b 00 02 31 32 00 23 00 00 00 33 3b 31 2d 31 2d 36 3b 31 2d 32 2d 31 31 3b 32 | ;2-2-3;..12.#...3;1-1-6;1-2-11;2 |
25f20 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 31 33 00 1c 00 00 00 36 3b 31 2d 31 | -1-1;2-2-3;2-1-13;..13.....6;1-1 |
25f40 | 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 31 3b 00 02 31 34 00 1c 00 00 00 31 | -1;1-1-3;2-1-1;2-2-11;..14.....1 |
25f60 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 35 00 1c | ;1-1-1;1-1-6;2-1-3;2-1-10;..15.. |
25f80 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 | ...1;1-1-1;1-1-10;2-1-1;2-1-6;.. |
25fa0 | 31 36 00 16 00 00 00 31 30 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 37 | 16.....10;1-2-1;2-1-1;2-1-3;..17 |
25fc0 | 00 22 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b | ."...1;1-1-3;1-1-10;2-1-1;2-1-3; |
25fe0 | 32 2d 31 2d 39 3b 00 02 31 38 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 | 2-1-9;..18."...3;1-1-1;1-1-3;1-1 |
26000 | 2d 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 39 00 1b 00 00 00 33 3b 31 2d 32 2d 33 | -9;2-2-3;2-1-10;..19.....3;1-2-3 |
26020 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 30 00 1b 00 00 00 33 3b 31 2d | ;2-1-1;2-1-3;2-1-9;..20.....3;1- |
26040 | 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 31 00 27 00 00 00 33 | 2-3;2-1-1;2-1-3;2-1-9;..21.'...3 |
26060 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 | ;1-1-1;1-1-3;1-1-9;2-2-1;2-2-3;2 |
26080 | 2d 31 2d 35 3b 00 02 32 32 00 15 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d | -1-5;..22.....9;1-2-3;2-2-1;2-2- |
260a0 | 33 3b 00 02 32 33 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 35 3b 32 | 3;..23.!...1;1-2-1;1-1-3;1-1-5;2 |
260c0 | 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 34 00 15 00 00 00 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d | -1-3;2-1-9;..24.....5;1-1-1;2-2- |
260e0 | 31 3b 32 2d 31 2d 33 3b 00 02 32 35 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 | 1;2-1-3;..25.....1;1-1-1;2-1-1;2 |
26100 | 2d 31 2d 33 3b 32 2d 31 2d 35 3b 00 02 32 36 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d | -1-3;2-1-5;..26.....1;1-1-1;2-1- |
26120 | 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 35 3b 00 02 32 37 00 23 00 00 00 31 31 3b 31 2d 32 2d 33 3b | 1;2-1-3;2-1-5;..27.#...11;1-2-3; |
26140 | 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 32 38 00 22 00 | 2-1-3;2-1-6;2-1-8;2-1-11;..28.". |
26160 | 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 | ..3;1-1-3;1-1-8;1-1-11;2-1-1;2-2 |
26180 | 2d 33 3b 00 02 32 39 00 16 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 | -3;..29.....8;1-1-3;2-1-3;2-1-11 |
261a0 | 3b 00 00 00 02 73 6d 69 6c 65 73 00 32 00 00 00 43 63 31 63 63 63 28 63 6e 31 29 43 63 31 63 5b | ;....smiles.2...Cc1ccc(cn1)Cc1c[ |
261c0 | 6e 48 5d 63 28 3d 4e 43 43 53 43 63 32 63 63 63 28 6f 32 29 43 28 4e 29 28 43 29 43 29 6e 63 31 | nH]c(=NCCSCc2ccc(o2)C(N)(C)C)nc1 |
261e0 | 4f 00 02 69 6e 63 68 69 00 9d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 31 48 32 37 4e 35 4f 32 | O..inchi.....InChI=1S/C21H27N5O2 |
26200 | 53 2f 63 31 2d 31 34 2d 34 2d 35 2d 31 35 28 31 31 2d 32 34 2d 31 34 29 31 30 2d 31 36 2d 31 32 | S/c1-14-4-5-15(11-24-14)10-16-12 |
26220 | 2d 32 35 2d 32 30 28 32 36 2d 31 39 28 31 36 29 32 37 29 32 33 2d 38 2d 39 2d 32 39 2d 31 33 2d | -25-20(26-19(16)27)23-8-9-29-13- |
26240 | 31 37 2d 36 2d 37 2d 31 38 28 32 38 2d 31 37 29 32 31 28 32 2c 33 29 32 32 2f 68 34 2d 37 2c 31 | 17-6-7-18(28-17)21(2,3)22/h4-7,1 |
26260 | 31 2d 31 32 48 2c 38 2d 31 30 2c 31 33 2c 32 32 48 32 2c 31 2d 33 48 33 2c 28 48 32 2c 32 33 2c | 1-12H,8-10,13,22H2,1-3H3,(H2,23, |
26280 | 32 35 2c 32 36 2c 32 37 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 50 f2 5e 46 50 01 00 00 09 63 | 25,26,27)..updated_at.P.^FP....c |
262a0 | 72 65 61 74 65 64 5f 61 74 00 4f f2 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.O.^FP....default_finge |
262c0 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 53 05 00 00 07 5f 69 64 00 56 16 1c 66 2b 72 | rprint_size......S...._id.V..f+r |
262e0 | ed 2b 40 00 00 ae 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .+@....warnings.......fingerprin |
26300 | 74 73 00 03 04 00 00 04 4d 50 32 44 00 f8 03 00 00 02 30 00 0f 00 00 00 32 3b 31 2d 31 2d 32 3b | ts......MP2D......0.....2;1-1-2; |
26320 | 32 2d 31 2d 32 3b 00 02 31 00 0f 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 32 2d 32 3b 00 02 32 00 | 2-1-2;..1.....2;1-2-2;2-2-2;..2. |
26340 | 21 00 00 00 32 3b 31 2d 33 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d | !...2;1-3-2;2-1-1;2-1-2;2-1-8;2- |
26360 | 31 2d 39 3b 00 02 33 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b | 1-9;..3.....2;1-1-1;1-1-2;2-2-1; |
26380 | 32 2d 32 2d 32 3b 00 02 34 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d | 2-2-2;..4.!...1;1-2-1;1-1-2;2-1- |
263a0 | 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 38 3b 00 02 35 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d | 1;2-2-2;2-1-8;..5.....1;1-1-1;2- |
263c0 | 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 36 00 2d 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b | 1-1;2-1-2;..6.-...1;1-2-1;1-1-2; |
263e0 | 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 | 1-1-8;2-1-1;2-2-2;2-1-8;2-1-9;.. |
26400 | 37 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b | 7.....1;1-1-1;2-1-1;2-1-2;2-1-8; |
26420 | 00 02 38 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d | ..8.!...8;1-1-1;1-1-2;2-3-1;2-1- |
26440 | 32 3b 32 2d 31 2d 39 3b 00 02 39 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d | 2;2-1-9;..9.....2;1-1-1;1-1-8;1- |
26460 | 31 2d 39 3b 32 2d 31 2d 31 3b 00 02 31 30 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 | 1-9;2-1-1;..10.....9;1-1-2;2-1-1 |
26480 | 3b 32 2d 31 2d 38 3b 00 02 31 31 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d | ;2-1-8;..11.....1;1-1-2;2-1-8;2- |
264a0 | 31 2d 39 3b 00 02 31 32 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 | 1-9;..12.!...2;1-1-1;1-1-8;1-1-9 |
264c0 | 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 33 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d | ;2-3-1;2-1-8;..13.....9;1-1-2;2- |
264e0 | 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 34 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | 1-1;2-1-8;..14.!...8;1-1-1;1-1-2 |
26500 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 35 00 15 00 00 00 31 3b 31 2d | ;2-1-1;2-1-2;2-1-9;..15.....1;1- |
26520 | 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 33 2d 32 3b 00 02 31 36 00 21 00 00 00 32 3b 31 2d 31 2d 31 | 1-2;1-1-8;2-3-2;..16.!...2;1-1-1 |
26540 | 3b 31 2d 32 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 37 00 21 00 | ;1-2-2;2-2-1;2-1-8;2-1-9;..17.!. |
26560 | 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d | ..2;1-1-1;1-1-2;2-1-1;2-1-2;2-1- |
26580 | 35 3b 00 02 31 38 00 1b 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 | 5;..18.....1;1-1-2;1-1-5;2-2-1;2 |
265a0 | 2d 31 2d 32 3b 00 02 31 39 00 15 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d | -1-2;..19.....5;1-3-1;2-1-1;2-1- |
265c0 | 32 3b 00 02 32 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 33 2d 31 3b 00 | 2;..20.....1;1-1-1;1-1-5;2-3-1;. |
265e0 | 02 32 31 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 35 3b 32 2d 31 2d | .21.....1;1-2-1;2-1-2;2-1-5;2-1- |
26600 | 38 3b 00 02 32 32 00 27 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 | 8;..22.'...1;1-1-1;1-1-2;1-1-8;2 |
26620 | 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 39 3b 00 02 32 33 00 21 00 00 00 38 3b 31 2d 31 2d | -1-1;2-2-2;2-1-9;..23.!...8;1-1- |
26640 | 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 39 3b 00 02 32 34 00 21 | 1;1-1-2;2-1-1;2-2-2;2-1-9;..24.! |
26660 | 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 | ...2;1-1-2;1-1-8;1-1-9;2-1-1;2-2 |
26680 | 2d 32 3b 00 02 32 35 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b | -2;..25.....9;1-1-2;2-1-2;2-1-8; |
266a0 | 00 02 32 36 00 27 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 32 | ..26.'...2;1-1-1;1-1-2;1-1-9;2-2 |
266c0 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 37 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b | -1;2-1-2;2-1-8;..27.....9;1-1-2; |
266e0 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 38 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 32 | 2-1-1;2-1-2;..28.....1;1-1-5;2-2 |
26700 | 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 37 00 00 00 43 3d 43 43 31 3d 43 43 28 43 29 43 28 43 | -1;....smiles.7...C=CC1=CC(C)C(C |
26720 | 29 28 4f 43 28 3d 4f 29 43 29 43 28 3d 4f 29 4f 43 43 32 3d 43 43 4e 28 43 43 43 28 4f 43 31 3d | )(OC(=O)C)C(=O)OCC2=CCN(CCC(OC1= |
26740 | 4f 29 43 32 3d 4f 29 43 00 02 69 6e 63 68 69 00 89 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 31 | O)C2=O)C..inchi.....InChI=1S/C21 |
26760 | 48 32 37 4e 4f 37 2f 63 31 2d 36 2d 31 35 2d 31 31 2d 31 33 28 32 29 32 31 28 34 2c 32 39 2d 31 | H27NO7/c1-6-15-11-13(2)21(4,29-1 |
26780 | 34 28 33 29 32 33 29 32 30 28 32 36 29 32 37 2d 31 32 2d 31 36 2d 37 2d 39 2d 32 32 28 35 29 31 | 4(3)23)20(26)27-12-16-7-9-22(5)1 |
267a0 | 30 2d 38 2d 31 37 28 31 38 28 31 36 29 32 34 29 32 38 2d 31 39 28 31 35 29 32 35 2f 68 36 2d 37 | 0-8-17(18(16)24)28-19(15)25/h6-7 |
267c0 | 2c 31 31 2c 31 33 2c 31 37 48 2c 31 2c 38 2d 31 30 2c 31 32 48 32 2c 32 2d 35 48 33 00 09 75 70 | ,11,13,17H,1,8-10,12H2,2-5H3..up |
267e0 | 64 61 74 65 64 5f 61 74 00 57 f2 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 56 f2 5e | dated_at.W.^FP....created_at.V.^ |
26800 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
26820 | 00 00 00 00 6b 04 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 af 04 77 61 72 6e 69 6e | ....k...._id.V..g+r.+@....warnin |
26840 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 16 03 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
26860 | 0b 03 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 00 1b 00 00 | .....0.....8;1-1-1;2-1-2;..1.... |
26880 | 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 32 00 1b | .1;1-1-2;1-1-8;2-1-1;2-1-9;..2.. |
268a0 | 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 33 | ...2;1-2-1;1-1-9;2-2-1;2-2-8;..3 |
268c0 | 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 02 34 00 21 00 00 00 31 3b 31 2d 32 | .....9;1-1-2;2-2-1;..4.!...1;1-2 |
268e0 | 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 35 2d 31 3b 32 2d 31 2d 39 3b 00 02 35 00 15 | -1;1-1-2;1-1-8;2-5-1;2-1-9;..5.. |
26900 | 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 36 00 1b 00 00 00 31 | ...8;1-1-1;2-2-1;2-1-2;..6.....1 |
26920 | 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 37 00 0f 00 00 | ;1-2-1;2-2-1;2-1-2;2-1-8;..7.... |
26940 | 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 | .1;1-2-1;2-3-1;..8.....1;1-3-1;2 |
26960 | 2d 36 2d 31 3b 00 02 39 00 1b 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 | -6-1;..9.....1;1-4-1;2-4-1;2-1-2 |
26980 | 3b 32 2d 31 2d 38 3b 00 02 31 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 | ;2-1-8;..10.....1;1-1-1;2-3-1;.. |
269a0 | 31 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 32 00 | 11.....1;1-2-1;2-4-1;2-1-8;..12. |
269c0 | 15 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 00 02 31 33 00 0f 00 00 | ....1;1-2-1;1-1-8;2-3-1;..13.... |
269e0 | 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 34 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b | .8;1-1-1;2-2-1;..14.....1;1-3-1; |
26a00 | 32 2d 34 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 35 00 0f 00 00 00 31 3b 31 2d 33 | 2-4-1;2-2-2;2-1-8;..15.....1;1-3 |
26a20 | 2d 31 3b 32 2d 35 2d 31 3b 00 02 31 36 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b | -1;2-5-1;..16.....1;1-2-1;2-2-1; |
26a40 | 32 2d 31 2d 32 3b 00 02 31 37 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 | 2-1-2;..17.....1;1-1-1;1-1-2;2-2 |
26a60 | 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 38 00 1b 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b | -1;2-1-2;..18.....2;1-2-1;1-1-2; |
26a80 | 32 2d 33 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 39 00 1b 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 32 | 2-3-1;2-2-2;..19.....2;1-2-2;2-2 |
26aa0 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 32 30 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b | -1;2-1-2;2-1-9;..20.....2;1-2-2; |
26ac0 | 31 2d 31 2d 39 3b 32 2d 32 2d 32 3b 00 02 32 31 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 | 1-1-9;2-2-2;..21.....9;1-1-2;2-2 |
26ae0 | 2d 32 3b 00 02 32 32 00 1b 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b | -2;..22.....2;1-2-2;2-1-1;2-1-2; |
26b00 | 32 2d 31 2d 39 3b 00 02 32 33 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 | 2-1-9;..23.....2;1-1-1;1-1-2;2-2 |
26b20 | 2d 31 3b 32 2d 32 2d 32 3b 00 02 32 34 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 32 2d 32 3b | -1;2-2-2;..24.....1;1-2-1;1-2-2; |
26b40 | 32 2d 33 2d 31 3b 32 2d 32 2d 32 3b 00 02 32 35 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 | 2-3-1;2-2-2;..25.....1;1-1-1;2-1 |
26b60 | 2d 31 3b 32 2d 32 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 31 00 00 00 4f 43 43 28 3d 4f 29 43 | -1;2-2-2;....smiles.1...OCC(=O)C |
26b80 | 31 28 4f 29 43 43 43 32 43 31 28 43 29 43 43 28 4f 29 43 31 43 32 43 43 43 32 3d 43 43 28 3d 4f | 1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O |
26ba0 | 29 43 3d 43 43 31 32 43 00 02 69 6e 63 68 69 00 94 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 31 | )C=CC12C..inchi.....InChI=1S/C21 |
26bc0 | 48 32 38 4f 35 2f 63 31 2d 31 39 2d 37 2d 35 2d 31 33 28 32 33 29 39 2d 31 32 28 31 39 29 33 2d | H28O5/c1-19-7-5-13(23)9-12(19)3- |
26be0 | 34 2d 31 34 2d 31 35 2d 36 2d 38 2d 32 31 28 32 36 2c 31 37 28 32 35 29 31 31 2d 32 32 29 32 30 | 4-14-15-6-8-21(26,17(25)11-22)20 |
26c00 | 28 31 35 2c 32 29 31 30 2d 31 36 28 32 34 29 31 38 28 31 34 29 31 39 2f 68 35 2c 37 2c 39 2c 31 | (15,2)10-16(24)18(14)19/h5,7,9,1 |
26c20 | 34 2d 31 36 2c 31 38 2c 32 32 2c 32 34 2c 32 36 48 2c 33 2d 34 2c 36 2c 38 2c 31 30 2d 31 31 48 | 4-16,18,22,24,26H,3-4,6,8,10-11H |
26c40 | 32 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 5f f2 5e 46 50 01 00 00 09 63 72 65 | 2,1-2H3..updated_at._.^FP....cre |
26c60 | 61 74 65 64 5f 61 74 00 5d f2 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at.].^FP....default_fingerp |
26c80 | 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 19 04 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b | rint_size..........._id.V..g+r.+ |
26ca0 | 40 00 00 b0 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 | @....warnings.......fingerprints |
26cc0 | 00 e8 02 00 00 04 4d 50 32 44 00 dd 02 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d | ......MP2D......0.....1;1-1-2;2- |
26ce0 | 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b | 1-8;2-1-9;..1.....2;1-1-1;1-1-8; |
26d00 | 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 00 02 32 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d | 1-1-9;2-1-1;..2.....9;1-1-2;2-1- |
26d20 | 31 3b 32 2d 31 2d 38 3b 00 02 33 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d | 1;2-1-8;..3.....8;1-1-1;1-1-2;2- |
26d40 | 33 2d 31 3b 32 2d 31 2d 39 3b 00 02 34 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b | 3-1;2-1-9;..4.....1;1-2-1;1-1-8; |
26d60 | 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 35 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d | 2-1-1;2-2-2;..5.....1;1-2-1;2-2- |
26d80 | 31 3b 32 2d 31 2d 38 3b 00 02 36 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d | 1;2-1-8;..6.....1;1-2-1;2-3-1;2- |
26da0 | 31 2d 32 3b 00 02 37 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b | 1-2;..7.....1;1-3-1;1-1-2;2-4-1; |
26dc0 | 32 2d 31 2d 32 3b 00 02 38 00 15 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 35 2d | 2-1-2;..8.....2;1-2-1;1-1-2;2-5- |
26de0 | 31 3b 00 02 39 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 00 02 | 1;..9.....2;1-1-1;1-1-2;2-3-1;.. |
26e00 | 31 30 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 | 10.....1;1-1-1;1-1-2;2-2-1;2-1-2 |
26e20 | 3b 00 02 31 31 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 00 02 | ;..11.....1;1-3-1;2-4-1;2-1-2;.. |
26e40 | 31 32 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 35 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 33 00 | 12.....1;1-3-1;2-5-1;2-1-2;..13. |
26e60 | 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 34 00 15 00 00 00 31 3b 31 2d 32 | ....1;1-2-1;2-3-1;..14.....1;1-2 |
26e80 | 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 35 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b | -1;2-3-1;2-1-2;..15.....1;1-3-1; |
26ea0 | 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 2d 31 2d 39 3b 00 02 31 36 00 15 00 00 00 31 3b 31 2d 33 | 1-1-2;2-4-1;2-1-9;..16.....1;1-3 |
26ec0 | 2d 31 3b 32 2d 35 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 37 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b | -1;2-5-1;2-1-2;..17.....1;1-2-1; |
26ee0 | 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 38 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-2-1;2-1-2;..18.....1;1-1-1;1-1 |
26f00 | 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 31 39 00 15 00 00 00 32 3b 31 2d 32 2d 31 3b | -2;2-2-1;2-1-9;..19.....2;1-2-1; |
26f20 | 31 2d 31 2d 39 3b 32 2d 34 2d 31 3b 00 02 32 30 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 | 1-1-9;2-4-1;..20.....9;1-1-2;2-2 |
26f40 | 2d 31 3b 00 02 32 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b | -1;..21.....1;1-1-1;2-2-1;2-1-2; |
26f60 | 00 02 32 32 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 | ..22.!...1;1-1-1;1-1-2;2-2-1;2-1 |
26f80 | 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 33 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b | -2;2-1-8;..23.....1;1-1-1;2-2-1; |
26fa0 | 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 2c 00 00 00 43 43 28 3d 4f 29 4f 43 31 43 43 | 2-1-2;....smiles.,...CC(=O)OC1CC |
26fc0 | 43 32 28 43 28 3d 43 43 43 33 43 32 43 43 43 32 28 43 33 43 43 43 32 3d 4f 29 43 29 43 31 29 43 | C2(C(=CCC3C2CCC2(C3CCC2=O)C)C1)C |
26fe0 | 00 02 69 6e 63 68 69 00 75 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 31 48 33 30 4f 33 2f 63 31 | ..inchi.u...InChI=1S/C21H30O3/c1 |
27000 | 2d 31 33 28 32 32 29 32 34 2d 31 35 2d 38 2d 31 30 2d 32 30 28 32 29 31 34 28 31 32 2d 31 35 29 | -13(22)24-15-8-10-20(2)14(12-15) |
27020 | 34 2d 35 2d 31 36 2d 31 37 2d 36 2d 37 2d 31 39 28 32 33 29 32 31 28 31 37 2c 33 29 31 31 2d 39 | 4-5-16-17-6-7-19(23)21(17,3)11-9 |
27040 | 2d 31 38 28 31 36 29 32 30 2f 68 34 2c 31 35 2d 31 38 48 2c 35 2d 31 32 48 32 2c 31 2d 33 48 33 | -18(16)20/h4,15-18H,5-12H2,1-3H3 |
27060 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 66 f2 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.f.^FP....created_at |
27080 | 00 64 f2 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | .d.^FP....default_fingerprint_si |
270a0 | 7a 65 00 00 00 00 00 00 d7 03 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 b1 04 77 61 | ze..........._id.V..g+r.+@....wa |
270c0 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a0 02 00 00 04 4d | rnings.......fingerprints......M |
270e0 | 50 32 44 00 95 02 00 00 02 30 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 02 31 | P2D......0.....9;1-1-2;2-1-2;..1 |
27100 | 00 1b 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 | .....2;1-1-2;1-1-9;2-1-1;2-1-2;. |
27120 | 02 32 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 32 2d 31 3b 32 2d 32 2d 39 | .2.....2;1-1-1;1-2-2;2-2-1;2-2-9 |
27140 | 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 32 | ;..3.....1;1-1-1;1-1-2;2-3-1;2-2 |
27160 | 2d 32 3b 00 02 34 00 15 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 00 | -2;..4.....1;1-4-1;2-4-1;2-1-2;. |
27180 | 02 35 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 36 00 15 00 00 00 31 3b 31 | .5.....1;1-1-1;2-3-1;..6.....1;1 |
271a0 | 2d 33 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 00 02 37 00 21 00 00 00 31 3b 31 2d 31 2d 31 | -3-1;2-4-1;2-1-2;..7.!...1;1-1-1 |
271c0 | 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 38 00 21 00 00 | ;1-1-2;2-2-1;2-1-2;2-1-9;..8.!.. |
271e0 | 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 | .2;1-1-1;1-1-2;1-1-9;2-2-1;2-1-2 |
27200 | 3b 00 02 39 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 | ;..9.....9;1-1-2;2-1-1;2-1-2;..1 |
27220 | 30 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 31 00 0f 00 00 00 31 3b 31 | 0.....1;1-2-1;2-3-1;..11.....1;1 |
27240 | 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 32 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 35 2d | -2-1;2-3-1;..12.....1;1-3-1;2-5- |
27260 | 31 3b 00 02 31 33 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 36 2d 31 3b 00 02 31 34 00 0f 00 | 1;..13.....1;1-3-1;2-6-1;..14... |
27280 | 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 35 00 0f 00 00 00 31 3b 31 2d 32 2d 31 | ..1;1-2-1;2-3-1;..15.....1;1-2-1 |
272a0 | 3b 32 2d 34 2d 31 3b 00 02 31 36 00 15 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 35 2d 31 3b 32 2d | ;2-4-1;..16.....1;1-4-1;2-5-1;2- |
272c0 | 31 2d 38 3b 00 02 31 37 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 36 2d 31 3b 00 02 31 38 00 | 1-8;..17.....1;1-3-1;2-6-1;..18. |
272e0 | 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 39 00 15 00 00 00 31 3b 31 2d 32 | ....1;1-2-1;2-3-1;..19.....1;1-2 |
27300 | 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 30 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b | -1;2-3-1;2-1-8;..20.....1;1-3-1; |
27320 | 31 2d 31 2d 38 3b 32 2d 34 2d 31 3b 00 02 32 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 | 1-1-8;2-4-1;..21.....1;1-1-1;2-2 |
27340 | 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 32 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b | -1;2-1-8;..22.....8;1-1-1;2-3-1; |
27360 | 00 02 32 33 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 00 00 02 73 6d 69 6c 65 | ..23.....1;1-1-1;2-3-1;....smile |
27380 | 73 00 2b 00 00 00 4f 43 3d 43 31 43 43 32 28 43 29 43 28 43 43 31 3d 4f 29 43 43 43 31 43 32 43 | s.+...OC=C1CC2(C)C(CC1=O)CCC1C2C |
273a0 | 43 43 32 28 43 31 43 43 43 32 28 43 29 4f 29 43 00 02 69 6e 63 68 69 00 7c 00 00 00 49 6e 43 68 | CC2(C1CCC2(C)O)C..inchi.|...InCh |
273c0 | 49 3d 31 53 2f 43 32 31 48 33 32 4f 33 2f 63 31 2d 31 39 2d 31 31 2d 31 33 28 31 32 2d 32 32 29 | I=1S/C21H32O3/c1-19-11-13(12-22) |
273e0 | 31 38 28 32 33 29 31 30 2d 31 34 28 31 39 29 34 2d 35 2d 31 35 2d 31 36 28 31 39 29 36 2d 38 2d | 18(23)10-14(19)4-5-15-16(19)6-8- |
27400 | 32 30 28 32 29 31 37 28 31 35 29 37 2d 39 2d 32 31 28 32 30 2c 33 29 32 34 2f 68 31 32 2c 31 34 | 20(2)17(15)7-9-21(20,3)24/h12,14 |
27420 | 2d 31 37 2c 32 32 2c 32 34 48 2c 34 2d 31 31 48 32 2c 31 2d 33 48 33 00 09 75 70 64 61 74 65 64 | -17,22,24H,4-11H2,1-3H3..updated |
27440 | 5f 61 74 00 6d f2 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 6b f2 5e 46 50 01 00 00 | _at.m.^FP....created_at.k.^FP... |
27460 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 31 | .default_fingerprint_size......1 |
27480 | 05 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 b2 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..g+r.+@....warnings... |
274a0 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 df 03 00 00 04 4d 50 32 44 00 d4 03 00 00 02 | ....fingerprints......MP2D...... |
274c0 | 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 38 3b 31 2d | 0.....1;1-1-8;2-1-1;..1.....8;1- |
274e0 | 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b | 2-1;2-2-1;..2.!...1;1-2-1;1-1-8; |
27500 | 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 33 00 27 00 00 00 31 3b 31 2d 32 2d | 2-2-1;2-1-2;2-1-8;..3.'...1;1-2- |
27520 | 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 33 2d 38 3b 32 2d 31 2d 39 3b | 1;1-1-2;1-1-8;2-3-1;2-3-8;2-1-9; |
27540 | 00 02 34 00 21 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d | ..4.!...1;1-3-1;1-1-8;2-1-1;2-1- |
27560 | 32 3b 32 2d 31 2d 38 3b 00 02 35 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 | 2;2-1-8;..5.....8;1-1-1;2-3-1;.. |
27580 | 36 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 37 00 15 00 | 6.....1;1-1-1;2-2-1;2-1-8;..7... |
275a0 | 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 38 00 21 00 00 00 32 3b | ..1;1-1-1;2-2-1;2-1-8;..8.!...2; |
275c0 | 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 | 1-1-1;1-1-8;1-1-9;2-3-1;2-1-8;.. |
275e0 | 39 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 30 00 21 | 9.....9;1-1-2;2-1-1;2-1-8;..10.! |
27600 | 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 | ...8;1-1-1;1-1-2;2-1-1;2-1-2;2-1 |
27620 | 2d 39 3b 00 02 31 31 00 1b 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b | -9;..11.....1;1-1-2;1-1-8;2-1-1; |
27640 | 32 2d 32 2d 32 3b 00 02 31 32 00 21 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 | 2-2-2;..12.!...2;1-2-1;1-1-2;2-2 |
27660 | 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b 00 02 31 33 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b | -1;2-1-5;2-1-8;..13.....2;1-1-1; |
27680 | 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 34 00 1b 00 00 00 31 3b 31 2d 31 | 1-1-2;2-2-1;2-1-5;..14.....1;1-1 |
276a0 | 2d 32 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 35 00 15 00 00 00 35 3b | -2;1-1-5;2-2-1;2-1-2;..15.....5; |
276c0 | 31 2d 33 2d 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 36 00 27 00 00 00 31 3b 31 2d 31 | 1-3-1;2-2-1;2-2-2;..16.'...1;1-1 |
276e0 | 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 35 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 | -1;1-1-2;1-1-5;2-4-1;2-1-2;2-1-8 |
27700 | 3b 00 02 31 37 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d | ;..17.!...1;1-2-1;1-1-8;2-1-1;2- |
27720 | 32 2d 32 3b 32 2d 31 2d 35 3b 00 02 31 38 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 | 2-2;2-1-5;..18.....1;1-2-1;2-1-1 |
27740 | 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b 00 02 31 39 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | ;2-1-5;2-1-8;..19.....1;1-1-1;1- |
27760 | 31 2d 35 3b 32 2d 33 2d 31 3b 00 02 32 30 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | 1-5;2-3-1;..20.!...8;1-1-1;1-1-2 |
27780 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 32 31 00 21 00 00 00 32 3b 31 2d | ;2-2-1;2-1-2;2-1-9;..21.!...2;1- |
277a0 | 31 2d 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 32 | 1-2;1-1-8;1-1-9;2-2-1;2-1-2;..22 |
277c0 | 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 33 00 21 00 | .....9;1-1-2;2-1-2;2-1-8;..23.!. |
277e0 | 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d | ..2;1-1-1;1-2-2;2-1-1;2-1-8;2-1- |
27800 | 39 3b 00 02 32 34 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 | 9;..24.....2;1-1-1;1-1-2;2-1-1;2 |
27820 | 2d 31 2d 32 3b 00 02 32 35 00 0f 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 02 32 36 | -1-2;..25.....1;1-1-2;2-1-2;..26 |
27840 | 00 0f 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 02 32 37 00 15 00 00 00 38 3b 31 2d | .....1;1-1-2;2-2-2;..27.....8;1- |
27860 | 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 38 00 15 00 00 00 31 3b 31 2d 31 2d 31 | 1-1;2-2-1;2-1-2;..28.....1;1-1-1 |
27880 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 38 00 00 00 43 4f 43 28 | ;2-1-1;2-1-8;....smiles.8...COC( |
278a0 | 43 28 43 28 4f 29 28 43 29 43 29 28 43 28 3d 4f 29 4f 43 43 31 3d 43 43 4e 32 43 31 43 28 43 43 | C(C(O)(C)C)(C(=O)OCC1=CCN2C1C(CC |
278c0 | 32 29 4f 43 28 3d 4f 29 43 28 3d 43 43 29 43 29 4f 29 43 00 02 69 6e 63 68 69 00 8a 00 00 00 49 | 2)OC(=O)C(=CC)C)O)C..inchi.....I |
278e0 | 6e 43 68 49 3d 31 53 2f 43 32 31 48 33 33 4e 4f 37 2f 63 31 2d 37 2d 31 33 28 32 29 31 38 28 32 | nChI=1S/C21H33NO7/c1-7-13(2)18(2 |
27900 | 33 29 32 39 2d 31 36 2d 39 2d 31 31 2d 32 32 2d 31 30 2d 38 2d 31 35 28 31 37 28 31 36 29 32 32 | 3)29-16-9-11-22-10-8-15(17(16)22 |
27920 | 29 31 32 2d 32 38 2d 31 39 28 32 34 29 32 31 28 32 36 2c 31 34 28 33 29 32 37 2d 36 29 32 30 28 | )12-28-19(24)21(26,14(3)27-6)20( |
27940 | 34 2c 35 29 32 35 2f 68 37 2d 38 2c 31 34 2c 31 36 2d 31 37 2c 32 35 2d 32 36 48 2c 39 2d 31 32 | 4,5)25/h7-8,14,16-17,25-26H,9-12 |
27960 | 48 32 2c 31 2d 36 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 74 f2 5e 46 50 01 00 00 09 63 72 | H2,1-6H3..updated_at.t.^FP....cr |
27980 | 65 61 74 65 64 5f 61 74 00 72 f2 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at.r.^FP....default_finger |
279a0 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 4a 04 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed | print_size......J...._id.V..g+r. |
279c0 | 2b 40 00 00 b3 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | +@....warnings.......fingerprint |
279e0 | 73 00 11 03 00 00 04 4d 50 32 44 00 06 03 00 00 02 30 00 0f 00 00 00 34 3b 31 2d 31 2d 34 3b 32 | s......MP2D......0.....4;1-1-4;2 |
27a00 | 2d 31 2d 31 3b 00 02 31 00 1b 00 00 00 34 3b 31 2d 31 2d 31 3b 31 2d 31 2d 34 3b 32 2d 32 2d 31 | -1-1;..1.....4;1-1-1;1-1-4;2-2-1 |
27a20 | 3b 32 2d 31 2d 38 3b 00 02 32 00 27 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 34 3b 31 2d 31 | ;2-1-8;..2.'...1;1-2-1;1-1-4;1-1 |
27a40 | 2d 38 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 34 3b 00 02 33 00 1b 00 00 00 31 3b 31 | -8;2-4-1;2-1-2;2-1-4;..3.....1;1 |
27a60 | 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 34 3b 32 2d 31 2d 38 3b 00 02 34 00 0f 00 00 00 31 | -2-1;2-2-1;2-1-4;2-1-8;..4.....1 |
27a80 | 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 35 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 36 | ;1-2-1;2-3-1;..5.....1;1-3-1;2-6 |
27aa0 | 2d 31 3b 00 02 36 00 1b 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 34 3b 32 | -1;..6.....1;1-4-1;2-4-1;2-1-4;2 |
27ac0 | 2d 31 2d 38 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 38 00 0f | -1-8;..7.....1;1-1-1;2-3-1;..8.. |
27ae0 | 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b 00 02 39 00 0f 00 00 00 31 3b 31 2d 32 2d 31 | ...1;1-2-1;2-4-1;..9.....1;1-2-1 |
27b00 | 3b 32 2d 33 2d 31 3b 00 02 31 30 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 34 2d 31 3b 32 2d | ;2-3-1;..10.....1;1-3-1;2-4-1;2- |
27b20 | 31 2d 32 3b 00 02 31 31 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 35 2d 31 3b 00 02 31 32 00 | 1-2;..11.....1;1-3-1;2-5-1;..12. |
27b40 | 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 33 00 1b 00 00 | ....1;1-2-1;2-2-1;2-1-2;..13.... |
27b60 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 34 00 | .1;1-1-1;1-1-2;2-2-1;2-1-2;..14. |
27b80 | 1b 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 | ....2;1-2-1;1-1-2;2-3-1;2-1-2;.. |
27ba0 | 31 35 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b 00 02 31 36 00 | 15.....2;1-2-2;2-3-1;2-1-9;..16. |
27bc0 | 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d | !...2;1-1-1;1-1-2;1-1-9;2-1-1;2- |
27be0 | 31 2d 32 3b 00 02 31 37 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 | 1-2;..17.....9;1-1-2;2-1-1;2-1-2 |
27c00 | 3b 00 02 31 38 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d | ;..18.!...1;1-1-1;1-1-2;2-1-1;2- |
27c20 | 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 39 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 | 1-2;2-1-9;..19.....1;1-2-1;2-1-1 |
27c40 | 3b 32 2d 32 2d 32 3b 00 02 32 30 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d | ;2-2-2;..20.....1;1-2-1;1-1-2;2- |
27c60 | 34 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 31 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | 4-1;2-1-2;..21.!...8;1-1-1;1-1-2 |
27c80 | 3b 32 2d 33 2d 31 3b 32 2d 31 2d 34 3b 32 2d 31 2d 39 3b 00 02 32 32 00 1b 00 00 00 32 3b 31 2d | ;2-3-1;2-1-4;2-1-9;..22.....2;1- |
27ca0 | 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 00 02 32 33 00 15 00 00 00 39 | 1-1;1-1-8;1-1-9;2-1-1;..23.....9 |
27cc0 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 34 00 15 00 00 00 31 3b 31 2d | ;1-1-2;2-1-1;2-1-8;..24.....1;1- |
27ce0 | 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 2e 00 00 00 43 | 1-2;2-1-8;2-1-9;....smiles.....C |
27d00 | 23 43 43 31 28 43 43 43 32 43 31 28 43 29 43 43 43 31 43 32 43 43 43 32 3d 43 43 28 3d 4f 29 43 | #CC1(CCC2C1(C)CCC1C2CCC2=CC(=O)C |
27d20 | 43 43 31 32 29 4f 43 28 3d 4f 29 43 00 02 69 6e 63 68 69 00 7b 00 00 00 49 6e 43 68 49 3d 31 53 | CC12)OC(=O)C..inchi.{...InChI=1S |
27d40 | 2f 43 32 32 48 32 38 4f 33 2f 63 31 2d 34 2d 32 32 28 32 35 2d 31 34 28 32 29 32 33 29 31 32 2d | /C22H28O3/c1-4-22(25-14(2)23)12- |
27d60 | 31 30 2d 32 30 2d 31 39 2d 37 2d 35 2d 31 35 2d 31 33 2d 31 36 28 32 34 29 36 2d 38 2d 31 37 28 | 10-20-19-7-5-15-13-16(24)6-8-17( |
27d80 | 31 35 29 31 38 28 31 39 29 39 2d 31 31 2d 32 31 28 32 30 2c 32 32 29 33 2f 68 31 2c 31 33 2c 31 | 15)18(19)9-11-21(20,22)3/h1,13,1 |
27da0 | 37 2d 32 30 48 2c 35 2d 31 32 48 32 2c 32 2d 33 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 7b | 7-20H,5-12H2,2-3H3..updated_at.{ |
27dc0 | f2 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 79 f2 5e 46 50 01 00 00 10 64 65 66 61 | .^FP....created_at.y.^FP....defa |
27de0 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 1a 04 00 00 07 5f | ult_fingerprint_size..........._ |
27e00 | 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 b4 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..g+r.+@....warnings.......f |
27e20 | 69 6e 67 65 72 70 72 69 6e 74 73 00 e8 02 00 00 04 4d 50 32 44 00 dd 02 00 00 02 30 00 15 00 00 | ingerprints......MP2D......0.... |
27e40 | 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 00 1b 00 00 00 32 3b 31 | .1;1-1-2;2-1-8;2-1-9;..1.....2;1 |
27e60 | 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 00 02 32 00 15 00 00 00 39 | -1-1;1-1-8;1-1-9;2-1-1;..2.....9 |
27e80 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 00 21 00 00 00 38 3b 31 2d 31 | ;1-1-2;2-1-1;2-1-8;..3.!...8;1-1 |
27ea0 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 34 00 15 | -1;1-1-2;2-1-1;2-1-2;2-1-9;..4.. |
27ec0 | 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 32 2d 32 3b 00 02 35 00 21 00 00 00 32 | ...1;1-1-2;1-1-8;2-2-2;..5.!...2 |
27ee0 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 | ;1-1-1;1-1-2;2-1-1;2-1-2;2-1-8;. |
27f00 | 02 36 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 | .6.....2;1-1-1;1-2-2;2-1-1;2-1-2 |
27f20 | 3b 00 02 37 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 38 | ;..7.....2;1-2-2;2-1-1;2-2-2;..8 |
27f40 | 00 0f 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 32 2d 32 3b 00 02 39 00 15 00 00 00 32 3b 31 2d 32 | .....2;1-2-2;2-2-2;..9.....2;1-2 |
27f60 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 30 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b | -2;2-1-1;2-2-2;..10.....2;1-1-1; |
27f80 | 31 2d 32 2d 32 3b 32 2d 32 2d 32 3b 00 02 31 31 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 | 1-2-2;2-2-2;..11.....2;1-2-2;2-1 |
27fa0 | 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 32 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b | -1;2-2-2;..12.....2;1-2-2;2-1-1; |
27fc0 | 32 2d 32 2d 32 3b 00 02 31 33 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 35 | 2-2-2;..13.....2;1-1-1;1-2-2;2-5 |
27fe0 | 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 34 00 1b 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b | -1;2-1-2;..14.....2;1-2-1;1-1-2; |
28000 | 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 35 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 | 2-2-1;2-1-2;..15.....1;1-1-2;2-1 |
28020 | 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 36 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | -1;2-1-2;..16.....1;1-1-1;1-1-2; |
28040 | 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 37 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 | 2-2-1;2-1-2;..17.....1;1-2-1;2-1 |
28060 | 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 38 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b | -1;2-1-2;..18.....1;1-2-1;2-3-1; |
28080 | 32 2d 31 2d 32 3b 00 02 31 39 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 | 2-1-2;..19.....1;1-3-1;1-1-2;2-1 |
280a0 | 2d 31 3b 32 2d 32 2d 32 3b 00 02 32 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b | -1;2-2-2;..20.....1;1-1-1;2-2-1; |
280c0 | 32 2d 31 2d 32 3b 00 02 32 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 | 2-1-2;..21.....1;1-1-1;2-2-1;2-1 |
280e0 | 2d 32 3b 00 02 32 32 00 0f 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 02 32 33 00 0f | -2;..22.....1;1-1-2;2-2-2;..23.. |
28100 | 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 2b 00 00 00 | ...1;1-1-2;2-2-2;....smiles.+... |
28120 | 43 43 28 3d 4f 29 4f 43 43 3d 43 28 43 3d 43 43 3d 43 28 43 3d 43 43 31 3d 43 28 43 29 43 43 43 | CC(=O)OCC=C(C=CC=C(C=CC1=C(C)CCC |
28140 | 43 31 28 43 29 43 29 43 29 43 00 02 69 6e 63 68 69 00 77 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | C1(C)C)C)C..inchi.w...InChI=1S/C |
28160 | 32 32 48 33 32 4f 32 2f 63 31 2d 31 37 28 39 2d 37 2d 31 30 2d 31 38 28 32 29 31 34 2d 31 36 2d | 22H32O2/c1-17(9-7-10-18(2)14-16- |
28180 | 32 34 2d 32 30 28 34 29 32 33 29 31 32 2d 31 33 2d 32 31 2d 31 39 28 33 29 31 31 2d 38 2d 31 35 | 24-20(4)23)12-13-21-19(3)11-8-15 |
281a0 | 2d 32 32 28 32 31 2c 35 29 36 2f 68 37 2c 39 2d 31 30 2c 31 32 2d 31 34 48 2c 38 2c 31 31 2c 31 | -22(21,5)6/h7,9-10,12-14H,8,11,1 |
281c0 | 35 2d 31 36 48 32 2c 31 2d 36 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 81 f2 5e 46 50 01 00 | 5-16H2,1-6H3..updated_at...^FP.. |
281e0 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 80 f2 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at...^FP....default_fi |
28200 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 27 04 00 00 07 5f 69 64 00 56 16 1c | ngerprint_size......'...._id.V.. |
28220 | 67 2b 72 ed 2b 40 00 00 b5 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | g+r.+@....warnings.......fingerp |
28240 | 72 69 6e 74 73 00 f2 02 00 00 04 4d 50 32 44 00 e7 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 | rints......MP2D......0.....1;1-1 |
28260 | 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 | -1;2-1-1;..1.....1;1-2-1;2-1-1;2 |
28280 | 2d 31 2d 38 3b 00 02 32 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 | -1-8;..2.!...1;1-2-1;1-1-8;2-2-1 |
282a0 | 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 33 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 32 | ;2-1-2;2-2-3;..3.!...1;1-2-1;1-2 |
282c0 | 2d 33 3b 32 2d 32 2d 31 3b 32 2d 34 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 1b 00 00 00 33 3b 31 | -3;2-2-1;2-4-3;2-1-8;..4.....3;1 |
282e0 | 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 33 2d 33 3b 00 02 35 00 15 00 00 00 33 | -1-1;1-2-3;2-2-1;2-3-3;..5.....3 |
28300 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 | ;1-2-3;2-1-1;2-2-3;..6.....3;1-2 |
28320 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | -3;2-2-3;..7.....3;1-2-3;2-2-3;. |
28340 | 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 15 00 00 00 33 3b 31 | .8.....3;1-2-3;2-2-3;..9.....3;1 |
28360 | 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 1b 00 00 00 33 3b 31 2d 31 2d | -2-3;2-1-1;2-2-3;..10.....3;1-1- |
28380 | 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 33 2d 33 3b 00 02 31 31 00 15 00 00 00 33 3b 31 | 1;1-2-3;2-2-1;2-3-3;..11.....3;1 |
283a0 | 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d | -2-3;2-1-1;2-2-3;..12.....3;1-2- |
283c0 | 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | 3;2-2-3;..13.....3;1-2-3;2-2-3;. |
283e0 | 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 15 00 00 00 33 | .14.....3;1-2-3;2-2-3;..15.....3 |
28400 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 36 00 1b 00 00 00 31 3b 31 2d | ;1-2-3;2-1-1;2-2-3;..16.....1;1- |
28420 | 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 00 02 31 37 00 15 00 00 00 31 | 2-1;2-2-1;2-2-3;2-1-5;..17.....1 |
28440 | 3b 31 2d 32 2d 31 3b 31 2d 31 2d 35 3b 32 2d 33 2d 31 3b 00 02 31 38 00 0f 00 00 00 35 3b 31 2d | ;1-2-1;1-1-5;2-3-1;..18.....5;1- |
28460 | 33 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 39 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 | 3-1;2-2-1;..19.....1;1-1-5;2-2-1 |
28480 | 3b 00 02 32 30 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 32 31 00 15 00 00 | ;..20.....1;1-1-5;2-2-1;..21.... |
284a0 | 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 32 32 00 1b 00 00 00 38 3b | .1;1-1-1;2-1-1;2-1-5;..22.....8; |
284c0 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b 00 02 32 33 00 1b 00 00 | 1-1-1;1-1-2;2-3-1;2-1-9;..23.... |
284e0 | 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 00 02 32 34 00 | .2;1-1-1;1-1-8;1-1-9;2-1-1;..24. |
28500 | 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 35 00 15 00 00 | ....9;1-1-2;2-1-1;2-1-8;..25.... |
28520 | 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 | .1;1-1-2;2-1-8;2-1-9;....smiles. |
28540 | 2c 00 00 00 43 43 43 28 43 28 63 31 63 63 63 63 63 31 29 28 63 31 63 63 63 63 63 31 29 43 43 28 | ,...CCC(C(c1ccccc1)(c1ccccc1)CC( |
28560 | 4e 28 43 29 43 29 43 29 4f 43 28 3d 4f 29 43 00 02 69 6e 63 68 69 00 79 00 00 00 49 6e 43 68 49 | N(C)C)C)OC(=O)C..inchi.y...InChI |
28580 | 3d 31 53 2f 43 32 33 48 33 31 4e 4f 32 2f 63 31 2d 36 2d 32 32 28 32 36 2d 31 39 28 33 29 32 35 | =1S/C23H31NO2/c1-6-22(26-19(3)25 |
285a0 | 29 32 33 28 31 37 2d 31 38 28 32 29 32 34 28 34 29 35 2c 32 30 2d 31 33 2d 39 2d 37 2d 31 30 2d | )23(17-18(2)24(4)5,20-13-9-7-10- |
285c0 | 31 34 2d 32 30 29 32 31 2d 31 35 2d 31 31 2d 38 2d 31 32 2d 31 36 2d 32 31 2f 68 37 2d 31 36 2c | 14-20)21-15-11-8-12-16-21/h7-16, |
285e0 | 31 38 2c 32 32 48 2c 36 2c 31 37 48 32 2c 31 2d 35 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 | 18,22H,6,17H2,1-5H3..updated_at. |
28600 | 87 f2 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 86 f2 5e 46 50 01 00 00 10 64 65 66 | ..^FP....created_at...^FP....def |
28620 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 18 05 00 00 07 | ault_fingerprint_size........... |
28640 | 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 b6 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..g+r.+@....warnings....... |
28660 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b6 03 00 00 04 4d 50 32 44 00 ab 03 00 00 02 30 00 17 00 | fingerprints......MP2D......0... |
28680 | 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 31 00 16 00 00 00 | ..32;1-1-2;2-1-1;2-1-32;..1..... |
286a0 | 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d 31 3b 00 02 32 00 17 00 00 00 33 32 3b | 2;1-1-1;1-2-32;2-1-1;..2.....32; |
286c0 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 33 00 22 00 00 00 31 3b 31 2d 31 | 1-1-2;2-1-1;2-1-32;..3."...1;1-1 |
286e0 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d 33 32 3b 00 02 34 00 | -1;1-1-2;2-1-1;2-1-8;2-2-32;..4. |
28700 | 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 | ....1;1-2-1;1-1-8;2-1-1;2-1-2;.. |
28720 | 35 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 38 3b | 5.....1;1-2-1;2-1-1;2-1-2;2-2-8; |
28740 | 00 02 36 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d | ..6.!...1;1-1-1;1-1-2;1-1-8;2-1- |
28760 | 31 3b 32 2d 31 2d 32 3b 00 02 37 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d | 1;2-1-2;..7.!...2;1-1-1;1-1-2;2- |
28780 | 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 22 00 00 00 32 3b 31 2d 31 2d 32 3b | 1-1;2-1-3;2-1-8;..8."...2;1-1-2; |
287a0 | 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 39 00 28 00 00 | 1-1-3;2-1-1;2-1-3;2-1-11;..9.(.. |
287c0 | 00 33 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d | .3;1-1-2;1-1-3;1-1-11;2-1-1;2-1- |
287e0 | 32 3b 32 2d 33 2d 33 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 31 2d 32 3b 32 | 2;2-3-3;..10.....3;1-3-3;2-1-2;2 |
28800 | 2d 34 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 | -4-3;2-1-11;..11.....3;1-3-3;2-4 |
28820 | 2d 33 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 33 00 16 | -3;..12.....3;1-2-3;2-3-3;..13.. |
28840 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 31 34 00 16 00 00 | ...3;1-2-3;2-2-3;2-1-16;..14.... |
28860 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 31 35 00 16 00 00 00 33 | .3;1-2-3;1-1-16;2-2-3;..15.....3 |
28880 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 31 36 00 0f 00 00 00 33 3b 31 | ;1-2-3;2-2-3;2-1-16;..16.....3;1 |
288a0 | 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 37 00 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b 32 2d 32 | -2-3;2-3-3;..17.....16;1-1-3;2-2 |
288c0 | 2d 33 3b 00 02 31 38 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 31 | -3;..18.....3;1-3-3;2-4-3;2-1-11 |
288e0 | 3b 00 02 31 39 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 | ;..19.....3;1-2-3;1-1-11;2-1-1;2 |
28900 | 2d 34 2d 33 3b 00 02 32 30 00 22 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 | -4-3;..20."...11;1-1-1;1-2-3;2-2 |
28920 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 02 32 31 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b | -1;2-1-2;2-3-3;..21.....1;1-2-1; |
28940 | 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 32 32 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d | 1-1-11;2-2-3;..22.....1;1-1-1;2- |
28960 | 31 2d 31 3b 32 2d 31 2d 31 31 3b 00 02 32 33 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d | 1-1;2-1-11;..23.....1;1-1-1;2-1- |
28980 | 31 3b 32 2d 31 2d 31 31 3b 00 02 32 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | 1;2-1-11;..24.....3;1-2-3;2-2-3; |
289a0 | 32 2d 31 2d 31 31 3b 00 02 32 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 | 2-1-11;..25.....3;1-2-3;2-2-3;.. |
289c0 | 32 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 37 00 0f 00 00 00 33 3b | 26.....3;1-2-3;2-2-3;..27.....3; |
289e0 | 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 32 38 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 | 1-2-3;2-3-3;..28.....8;1-1-1;2-1 |
28a00 | 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 39 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b | -1;2-1-2;..29.....8;1-1-1;2-2-1; |
28a20 | 00 00 00 02 73 6d 69 6c 65 73 00 35 00 00 00 4f 43 28 3d 4f 29 43 43 28 43 43 28 43 3d 43 63 31 | ....smiles.5...OC(=O)CC(CC(C=Cc1 |
28a40 | 63 28 63 32 63 63 63 28 63 63 32 29 46 29 63 32 63 28 6e 31 43 28 43 29 43 29 63 63 63 63 32 29 | c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2) |
28a60 | 4f 29 4f 00 02 69 6e 63 68 69 00 9d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 34 48 32 36 46 4e | O)O..inchi.....InChI=1S/C24H26FN |
28a80 | 4f 34 2f 63 31 2d 31 35 28 32 29 32 36 2d 32 31 2d 36 2d 34 2d 33 2d 35 2d 32 30 28 32 31 29 32 | O4/c1-15(2)26-21-6-4-3-5-20(21)2 |
28aa0 | 34 28 31 36 2d 37 2d 39 2d 31 37 28 32 35 29 31 30 2d 38 2d 31 36 29 32 32 28 32 36 29 31 32 2d | 4(16-7-9-17(25)10-8-16)22(26)12- |
28ac0 | 31 31 2d 31 38 28 32 37 29 31 33 2d 31 39 28 32 38 29 31 34 2d 32 33 28 32 39 29 33 30 2f 68 33 | 11-18(27)13-19(28)14-23(29)30/h3 |
28ae0 | 2d 31 32 2c 31 35 2c 31 38 2d 31 39 2c 32 37 2d 32 38 48 2c 31 33 2d 31 34 48 32 2c 31 2d 32 48 | -12,15,18-19,27-28H,13-14H2,1-2H |
28b00 | 33 2c 28 48 2c 32 39 2c 33 30 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 8f f2 5e 46 50 01 00 00 | 3,(H,29,30)..updated_at...^FP... |
28b20 | 09 63 72 65 61 74 65 64 5f 61 74 00 8d f2 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at...^FP....default_fin |
28b40 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 85 04 00 00 07 5f 69 64 00 56 16 1c 67 | gerprint_size..........._id.V..g |
28b60 | 2b 72 ed 2b 40 00 00 b7 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.+@....warnings.......fingerpr |
28b80 | 69 6e 74 73 00 3e 03 00 00 04 4d 50 32 44 00 33 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d | ints.>....MP2D.3....0.....1;1-1- |
28ba0 | 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 | 1;2-1-1;..1.....1;1-2-1;2-1-1;.. |
28bc0 | 32 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 00 0f 00 00 00 31 3b 31 2d | 2.....1;1-2-1;2-2-1;..3.....1;1- |
28be0 | 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 34 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 32 2d 31 3b | 2-1;2-3-1;..4.....1;1-3-1;2-2-1; |
28c00 | 32 2d 31 2d 38 3b 00 02 35 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d | 2-1-8;..5.....1;1-1-1;1-1-8;2-2- |
28c20 | 31 3b 32 2d 31 2d 32 3b 00 02 36 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d | 1;2-1-2;..6.!...8;1-1-1;1-1-2;2- |
28c40 | 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 37 00 21 00 00 00 32 3b 31 2d 31 2d 33 3b | 1-1;2-1-3;2-1-9;..7.!...2;1-1-3; |
28c60 | 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 | 1-1-8;1-1-9;2-1-1;2-2-3;..8..... |
28c80 | 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 27 00 00 00 33 3b 31 2d | 9;1-1-2;2-1-3;2-1-8;..9.'...3;1- |
28ca0 | 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d | 1-2;1-2-3;2-1-2;2-2-3;2-1-8;2-1- |
28cc0 | 39 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 | 9;..10.....3;1-2-3;2-1-2;2-2-3;. |
28ce0 | 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 0f 00 00 00 33 | .11.....3;1-2-3;2-2-3;..12.....3 |
28d00 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;1-2-3;2-2-3;..13.....3;1-2-3;2- |
28d20 | 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 34 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 | 1-2;2-2-3;..14.'...3;1-1-2;1-2-3 |
28d40 | 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 35 00 21 00 | ;2-1-2;2-2-3;2-1-8;2-1-9;..15.!. |
28d60 | 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d | ..2;1-1-3;1-1-8;1-1-9;2-1-1;2-2- |
28d80 | 33 3b 00 02 31 36 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 | 3;..16.....9;1-1-2;2-1-3;2-1-8;. |
28da0 | 02 31 37 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d | .17.!...8;1-1-1;1-1-2;2-1-1;2-1- |
28dc0 | 33 3b 32 2d 31 2d 39 3b 00 02 31 38 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 | 3;2-1-9;..18.....1;1-1-1;1-1-8;2 |
28de0 | 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 39 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 32 2d | -2-1;2-1-2;..19.....1;1-3-1;2-2- |
28e00 | 31 3b 32 2d 31 2d 38 3b 00 02 32 30 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 | 1;2-1-8;..20.....1;1-2-1;2-3-1;. |
28e20 | 02 32 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 32 00 0f 00 00 00 31 | .21.....1;1-2-1;2-2-1;..22.....1 |
28e40 | 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 33 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d | ;1-2-1;2-1-1;..23.....1;1-1-1;2- |
28e60 | 31 2d 31 3b 00 02 32 34 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 35 00 | 1-1;..24.....1;1-2-1;2-2-1;..25. |
28e80 | 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 36 00 0f 00 00 00 31 3b 31 2d 32 | ....1;1-1-1;2-1-1;..26.....1;1-2 |
28ea0 | 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 37 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b | -1;2-2-1;..27.....1;1-1-1;2-1-1; |
28ec0 | 00 00 00 02 73 6d 69 6c 65 73 00 29 00 00 00 43 43 43 43 43 28 43 4f 43 28 3d 4f 29 63 31 63 63 | ....smiles.)...CCCCC(COC(=O)c1cc |
28ee0 | 63 63 63 31 43 28 3d 4f 29 4f 43 43 28 43 43 43 43 29 43 43 29 43 43 00 02 69 6e 63 68 69 00 8e | ccc1C(=O)OCC(CCCC)CC)CC..inchi.. |
28f00 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 34 48 33 38 4f 34 2f 63 31 2d 35 2d 39 2d 31 33 2d 31 | ...InChI=1S/C24H38O4/c1-5-9-13-1 |
28f20 | 39 28 37 2d 33 29 31 37 2d 32 37 2d 32 33 28 32 35 29 32 31 2d 31 35 2d 31 31 2d 31 32 2d 31 36 | 9(7-3)17-27-23(25)21-15-11-12-16 |
28f40 | 2d 32 32 28 32 31 29 32 34 28 32 36 29 32 38 2d 31 38 2d 32 30 28 38 2d 34 29 31 34 2d 31 30 2d | -22(21)24(26)28-18-20(8-4)14-10- |
28f60 | 36 2d 32 2f 68 31 31 2d 31 32 2c 31 35 2d 31 36 2c 31 39 2d 32 30 48 2c 35 2d 31 30 2c 31 33 2d | 6-2/h11-12,15-16,19-20H,5-10,13- |
28f80 | 31 34 2c 31 37 2d 31 38 48 32 2c 31 2d 34 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 95 f2 5e | 14,17-18H2,1-4H3..updated_at...^ |
28fa0 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 94 f2 5e 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at...^FP....defaul |
28fc0 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 78 04 00 00 07 5f 69 64 | t_fingerprint_size......x...._id |
28fe0 | 00 56 16 1c 67 2b 72 ed 2b 40 00 00 b8 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..g+r.+@....warnings.......fin |
29000 | 67 65 72 70 72 69 6e 74 73 00 3e 03 00 00 04 4d 50 32 44 00 33 03 00 00 02 30 00 0f 00 00 00 31 | gerprints.>....MP2D.3....0.....1 |
29020 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | ;1-1-1;2-1-2;..1.....1;1-1-1;1-1 |
29040 | 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 32 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 | -2;2-1-2;2-1-3;..2.!...2;1-1-1;1 |
29060 | 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 34 2d 33 3b 00 02 33 00 1b 00 00 00 32 | -1-2;1-1-3;2-1-1;2-4-3;..3.....2 |
29080 | 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 35 2d 33 3b 00 02 34 00 1b 00 00 | ;1-1-2;1-2-3;2-1-1;2-5-3;..4.... |
290a0 | 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 02 35 00 15 | .3;1-1-2;1-2-3;2-1-2;2-3-3;..5.. |
290c0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 0f 00 00 00 33 | ...3;1-2-3;2-1-2;2-2-3;..6.....3 |
290e0 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | ;1-2-3;2-2-3;..7.....3;1-2-3;2-2 |
29100 | 2d 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 15 00 00 | -3;..8.....3;1-2-3;2-2-3;..9.... |
29120 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 30 00 1b 00 00 00 33 3b | .3;1-2-3;2-1-2;2-2-3;..10.....3; |
29140 | 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 02 31 31 00 15 00 00 | 1-1-2;1-2-3;2-1-2;2-3-3;..11.... |
29160 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 32 00 15 00 00 00 33 3b | .3;1-2-3;2-1-2;2-2-3;..12.....3; |
29180 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 33 00 1b 00 00 00 33 3b 31 2d 32 | 1-2-3;2-2-3;2-1-8;..13.....3;1-2 |
291a0 | 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 34 00 15 00 00 00 33 3b | -3;1-1-8;2-1-1;2-2-3;..14.....3; |
291c0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 | 1-2-3;2-2-3;2-1-8;..15.....3;1-2 |
291e0 | 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 36 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b | -3;2-1-2;2-2-3;..16.....8;1-1-1; |
29200 | 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 37 00 1b 00 00 00 31 3b 31 2d 31 | 1-1-3;2-1-1;2-2-3;..17.....1;1-1 |
29220 | 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 32 2d 31 2d 35 3b 00 02 31 38 00 1b 00 00 00 31 3b | -1;1-1-8;2-1-3;2-1-5;..18.....1; |
29240 | 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 39 00 0f 00 00 | 1-1-1;1-1-5;2-2-1;2-1-8;..19.... |
29260 | 00 35 3b 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 30 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b | .5;1-3-1;2-1-1;..20.....1;1-1-5; |
29280 | 32 2d 32 2d 31 3b 00 02 32 31 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 32 | 2-2-1;..21.....1;1-1-5;2-2-1;..2 |
292a0 | 32 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b | 2.!...3;1-1-2;1-2-3;2-1-1;2-1-2; |
292c0 | 32 2d 32 2d 33 3b 00 02 32 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 | 2-2-3;..23.....3;1-2-3;2-1-2;2-2 |
292e0 | 2d 33 3b 00 02 32 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 35 00 0f | -3;..24.....3;1-2-3;2-2-3;..25.. |
29300 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 36 00 0f 00 00 00 33 3b 31 2d 32 2d | ...3;1-2-3;2-2-3;..26.....3;1-2- |
29320 | 33 3b 32 2d 32 2d 33 3b 00 02 32 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 | 3;2-2-3;..27.....3;1-2-3;2-1-2;2 |
29340 | 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 2c 00 00 00 43 43 43 28 3d 43 28 63 31 63 63 63 | -2-3;....smiles.,...CCC(=C(c1ccc |
29360 | 63 63 31 29 63 31 63 63 63 28 63 63 31 29 4f 43 43 4e 28 43 29 43 29 63 31 63 63 63 63 63 31 00 | cc1)c1ccc(cc1)OCCN(C)C)c1ccccc1. |
29380 | 02 69 6e 63 68 69 00 7e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 36 48 32 39 4e 4f 2f 63 31 2d | .inchi.~...InChI=1S/C26H29NO/c1- |
293a0 | 34 2d 32 35 28 32 31 2d 31 31 2d 37 2d 35 2d 38 2d 31 32 2d 32 31 29 32 36 28 32 32 2d 31 33 2d | 4-25(21-11-7-5-8-12-21)26(22-13- |
293c0 | 39 2d 36 2d 31 30 2d 31 34 2d 32 32 29 32 33 2d 31 35 2d 31 37 2d 32 34 28 31 38 2d 31 36 2d 32 | 9-6-10-14-22)23-15-17-24(18-16-2 |
293e0 | 33 29 32 38 2d 32 30 2d 31 39 2d 32 37 28 32 29 33 2f 68 35 2d 31 38 48 2c 34 2c 31 39 2d 32 30 | 3)28-20-19-27(2)3/h5-18H,4,19-20 |
29400 | 48 32 2c 31 2d 33 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 9c f2 5e 46 50 01 00 00 09 63 72 | H2,1-3H3..updated_at...^FP....cr |
29420 | 65 61 74 65 64 5f 61 74 00 9b f2 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at...^FP....default_finger |
29440 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 3d 05 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed | print_size......=...._id.V..g+r. |
29460 | 2b 40 00 00 b9 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | +@....warnings.......fingerprint |
29480 | 73 00 ca 03 00 00 04 4d 50 32 44 00 bf 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 | s......MP2D......0.....1;1-1-1;2 |
294a0 | 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 00 0f | -1-1;..1.....1;1-2-1;2-1-1;..2.. |
294c0 | 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 00 15 00 00 00 31 3b 31 2d 32 2d 31 | ...1;1-2-1;2-2-1;..3.....1;1-2-1 |
294e0 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 00 02 34 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 | ;2-1-1;2-2-8;..4.....1;1-1-1;1-2 |
29500 | 2d 38 3b 32 2d 33 2d 31 3b 00 02 35 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 | -8;2-3-1;..5.....8;1-2-1;2-3-1;2 |
29520 | 2d 31 2d 38 3b 00 02 36 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 | -1-8;..6.!...1;1-2-1;1-1-8;2-3-1 |
29540 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 37 00 27 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 | ;2-1-2;2-1-8;..7.'...1;1-2-1;1-1 |
29560 | 2d 32 3b 31 2d 31 2d 38 3b 32 2d 36 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 38 00 1b | -2;1-1-8;2-6-1;2-1-8;2-1-9;..8.. |
29580 | 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 39 | ...8;1-2-1;2-3-1;2-1-2;2-1-8;..9 |
295a0 | 00 1b 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 | .....2;1-2-1;1-1-9;2-2-1;2-2-8;. |
295c0 | 02 31 30 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 02 31 31 00 1b 00 00 00 31 | .10.....9;1-1-2;2-2-1;..11.....1 |
295e0 | 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 31 32 00 0f 00 | ;1-1-2;1-1-8;2-1-1;2-1-9;..12... |
29600 | 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 33 00 1b 00 00 00 31 3b 31 2d 34 2d 31 | ..8;1-1-1;2-1-2;..13.....1;1-4-1 |
29620 | 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 34 00 0f 00 00 00 31 3b 31 2d | ;2-4-1;2-1-2;2-1-8;..14.....1;1- |
29640 | 33 2d 31 3b 32 2d 36 2d 31 3b 00 02 31 35 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 | 3-1;2-6-1;..15.....1;1-2-1;2-3-1 |
29660 | 3b 32 2d 31 2d 38 3b 00 02 31 36 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 35 2d 31 3b 00 02 | ;2-1-8;..16.....1;1-3-1;2-5-1;.. |
29680 | 31 37 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 38 00 | 17.....1;1-2-1;2-2-1;2-1-2;..18. |
296a0 | 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 | ....1;1-1-1;1-1-2;2-2-1;2-1-2;.. |
296c0 | 31 39 00 1b 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 32 2d 32 | 19.....2;1-2-1;1-1-2;2-3-1;2-2-2 |
296e0 | 3b 00 02 32 30 00 1b 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d | ;..20.....2;1-2-2;2-2-1;2-1-2;2- |
29700 | 31 2d 39 3b 00 02 32 31 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 39 3b 32 2d 32 2d 32 | 1-9;..21.....2;1-2-2;1-1-9;2-2-2 |
29720 | 3b 00 02 32 32 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 02 32 33 00 1b 00 00 | ;..22.....9;1-1-2;2-2-2;..23.... |
29740 | 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 32 34 00 | .2;1-2-2;2-1-1;2-1-2;2-1-9;..24. |
29760 | 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 | ....2;1-1-1;1-1-2;2-2-1;2-2-2;.. |
29780 | 32 35 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 32 2d 32 3b 32 2d 33 2d 31 3b 32 2d 32 2d 32 | 25.....1;1-2-1;1-2-2;2-3-1;2-2-2 |
297a0 | 3b 00 02 32 36 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 34 2d 31 3b 32 2d 32 2d 32 3b 32 2d | ;..26.....1;1-3-1;2-4-1;2-2-2;2- |
297c0 | 31 2d 38 3b 00 02 32 37 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 | 1-8;..27.....1;1-2-1;1-1-8;2-3-1 |
297e0 | 3b 00 02 32 38 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 38 3b 00 02 | ;..28.....1;1-2-1;2-4-1;2-1-8;.. |
29800 | 32 39 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 30 00 15 00 00 00 31 3b | 29.....8;1-1-1;2-2-1;..30.....1; |
29820 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 33 31 00 0f 00 00 00 31 3b 31 2d 31 | 1-1-1;2-1-1;2-2-2;..31.....1;1-1 |
29840 | 2d 31 3b 32 2d 33 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 3f 00 00 00 43 43 43 43 43 31 4f 43 | -1;2-3-1;....smiles.?...CCCCC1OC |
29860 | 32 43 28 4f 31 29 28 43 28 3d 4f 29 43 4f 29 43 31 28 43 28 43 32 29 43 32 43 43 43 33 3d 43 43 | 2C(O1)(C(=O)CO)C1(C(C2)C2CCC3=CC |
29880 | 28 3d 4f 29 43 3d 43 43 33 28 43 32 43 28 43 31 29 4f 29 43 29 43 00 02 69 6e 63 68 69 00 a4 00 | (=O)C=CC3(C2C(C1)O)C)C..inchi... |
298a0 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 36 48 33 36 4f 36 2f 63 31 2d 34 2d 35 2d 36 2d 32 32 2d | ..InChI=1S/C26H36O6/c1-4-5-6-22- |
298c0 | 33 31 2d 32 31 2d 31 32 2d 31 38 2d 31 37 2d 38 2d 37 2d 31 35 2d 31 31 2d 31 36 28 32 38 29 39 | 31-21-12-18-17-8-7-15-11-16(28)9 |
298e0 | 2d 31 30 2d 32 34 28 31 35 2c 32 29 32 33 28 31 37 29 31 39 28 32 39 29 31 33 2d 32 35 28 31 38 | -10-24(15,2)23(17)19(29)13-25(18 |
29900 | 2c 33 29 32 36 28 32 31 2c 33 32 2d 32 32 29 32 30 28 33 30 29 31 34 2d 32 37 2f 68 39 2d 31 31 | ,3)26(21,32-22)20(30)14-27/h9-11 |
29920 | 2c 31 37 2d 31 39 2c 32 31 2d 32 33 2c 32 37 2c 32 39 48 2c 34 2d 38 2c 31 32 2d 31 34 48 32 2c | ,17-19,21-23,27,29H,4-8,12-14H2, |
29940 | 31 2d 33 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 a4 f2 5e 46 50 01 00 00 09 63 72 65 61 74 | 1-3H3..updated_at...^FP....creat |
29960 | 65 64 5f 61 74 00 a3 f2 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at...^FP....default_fingerpri |
29980 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 0b 05 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 | nt_size..........._id.V..g+r.+@. |
299a0 | 00 ba 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 cf | ...warnings.......fingerprints.. |
299c0 | 03 00 00 04 4d 50 32 44 00 c4 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d | ....MP2D......0.....1;1-1-1;2-1- |
299e0 | 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 00 0f 00 00 00 | 1;..1.....1;1-2-1;2-1-1;..2..... |
29a00 | 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d | 1;1-2-1;2-2-1;..3.....1;1-2-1;2- |
29a20 | 32 2d 31 3b 00 02 34 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 35 00 15 00 | 2-1;..4.....1;1-2-1;2-2-1;..5... |
29a40 | 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 36 00 21 00 00 00 31 3b | ..1;1-2-1;2-1-1;2-1-2;..6.!...1; |
29a60 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 | 1-1-1;1-1-2;2-1-1;2-1-8;2-1-9;.. |
29a80 | 37 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b | 7.....2;1-1-1;1-1-8;1-1-9;2-2-1; |
29aa0 | 00 02 38 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 39 00 | ..8.....9;1-1-2;2-1-1;2-1-8;..9. |
29ac0 | 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b 00 02 | ....8;1-1-1;1-1-2;2-3-1;2-1-9;.. |
29ae0 | 31 30 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 38 | 10.....1;1-2-1;1-1-8;2-1-2;2-2-8 |
29b00 | 3b 00 02 31 31 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d | ;..11.!...1;1-1-1;1-1-8;2-1-1;2- |
29b20 | 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 32 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | 1-2;2-1-8;..12.....8;1-1-1;1-1-2 |
29b40 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 31 33 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d | ;2-2-1;2-1-9;..13.....2;1-1-1;1- |
29b60 | 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 00 02 31 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 | 1-8;1-1-9;2-2-1;..14.....9;1-1-2 |
29b80 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 35 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | ;2-1-1;2-1-8;..15.!...1;1-1-1;1- |
29ba0 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 36 00 15 00 00 00 31 | 1-2;2-1-1;2-1-8;2-1-9;..16.....1 |
29bc0 | 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 37 00 0f 00 00 00 31 3b 31 2d | ;1-2-1;2-1-1;2-1-2;..17.....1;1- |
29be0 | 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 38 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 | 2-1;2-2-1;..18.....1;1-2-1;2-2-1 |
29c00 | 3b 00 02 31 39 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 30 00 0f 00 00 | ;..19.....1;1-2-1;2-2-1;..20.... |
29c20 | 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 31 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b | .1;1-2-1;2-1-1;..21.....1;1-1-1; |
29c40 | 32 2d 31 2d 31 3b 00 02 32 32 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 | 2-1-1;..22.!...1;1-1-1;1-1-8;2-1 |
29c60 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 33 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b | -1;2-1-2;2-1-8;..23.....8;1-1-1; |
29c80 | 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 32 34 00 1b 00 00 00 32 3b 31 2d 31 | 1-1-2;2-2-1;2-1-9;..24.....2;1-1 |
29ca0 | 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 00 02 32 35 00 15 00 00 00 39 3b | -1;1-1-8;1-1-9;2-2-1;..25.....9; |
29cc0 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 36 00 21 00 00 00 31 3b 31 2d 31 | 1-1-2;2-1-1;2-1-8;..26.!...1;1-1 |
29ce0 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 37 00 | -1;1-1-2;2-1-1;2-1-8;2-1-9;..27. |
29d00 | 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 38 00 0f 00 00 | ....1;1-2-1;2-1-1;2-1-2;..28.... |
29d20 | 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 39 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b | .1;1-2-1;2-2-1;..29.....1;1-2-1; |
29d40 | 32 2d 32 2d 31 3b 00 02 33 30 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 | 2-2-1;..30.....1;1-2-1;2-2-1;..3 |
29d60 | 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 33 32 00 0f 00 00 00 31 3b 31 | 1.....1;1-2-1;2-1-1;..32.....1;1 |
29d80 | 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 2d 00 00 00 43 43 43 43 43 43 | -1-1;2-1-1;....smiles.-...CCCCCC |
29da0 | 43 43 28 3d 4f 29 4f 43 28 43 4f 43 28 3d 4f 29 43 43 43 43 43 43 43 29 43 4f 43 28 3d 4f 29 43 | CC(=O)OC(COC(=O)CCCCCCC)COC(=O)C |
29dc0 | 43 43 43 43 43 43 00 02 69 6e 63 68 69 00 7f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 37 48 35 | CCCCCC..inchi.....InChI=1S/C27H5 |
29de0 | 30 4f 36 2f 63 31 2d 34 2d 37 2d 31 30 2d 31 33 2d 31 36 2d 31 39 2d 32 35 28 32 38 29 33 31 2d | 0O6/c1-4-7-10-13-16-19-25(28)31- |
29e00 | 32 32 2d 32 34 28 33 33 2d 32 37 28 33 30 29 32 31 2d 31 38 2d 31 35 2d 31 32 2d 39 2d 36 2d 33 | 22-24(33-27(30)21-18-15-12-9-6-3 |
29e20 | 29 32 33 2d 33 32 2d 32 36 28 32 39 29 32 30 2d 31 37 2d 31 34 2d 31 31 2d 38 2d 35 2d 32 2f 68 | )23-32-26(29)20-17-14-11-8-5-2/h |
29e40 | 32 34 48 2c 34 2d 32 33 48 32 2c 31 2d 33 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 ab f2 5e | 24H,4-23H2,1-3H3..updated_at...^ |
29e60 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a9 f2 5e 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at...^FP....defaul |
29e80 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 c7 01 00 00 07 5f 69 64 | t_fingerprint_size..........._id |
29ea0 | 00 56 16 1c 67 2b 72 ed 2b 40 00 00 bb 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..g+r.+@....warnings.......fin |
29ec0 | 67 65 72 70 72 69 6e 74 73 00 00 01 00 00 04 4d 50 32 44 00 f5 00 00 00 02 30 00 17 00 00 00 31 | gerprints......MP2D......0.....1 |
29ee0 | 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 31 00 17 00 00 00 31 3b 31 | 5;1-1-1;2-1-1;2-2-15;..1.....1;1 |
29f00 | 2d 31 2d 31 3b 31 2d 33 2d 31 35 3b 32 2d 33 2d 31 35 3b 00 02 32 00 17 00 00 00 31 3b 31 2d 31 | -1-1;1-3-15;2-3-15;..2.....1;1-1 |
29f20 | 2d 31 3b 31 2d 33 2d 31 35 3b 32 2d 33 2d 31 35 3b 00 02 33 00 17 00 00 00 31 35 3b 31 2d 31 2d | -1;1-3-15;2-3-15;..3.....15;1-1- |
29f40 | 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 34 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b | 1;2-1-1;2-2-15;..4.....15;1-1-1; |
29f60 | 32 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 35 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d | 2-1-1;2-2-15;..5.....15;1-1-1;2- |
29f80 | 31 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 36 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d | 1-1;2-2-15;..6.....15;1-1-1;2-1- |
29fa0 | 31 3b 32 2d 32 2d 31 35 3b 00 02 37 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b | 1;2-2-15;..7.....15;1-1-1;2-1-1; |
29fc0 | 32 2d 32 2d 31 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 17 00 00 00 43 6c 43 28 43 28 43 6c 29 28 | 2-2-15;....smiles.....ClC(C(Cl)( |
29fe0 | 43 6c 29 43 6c 29 28 43 6c 29 43 6c 00 02 69 6e 63 68 69 00 20 00 00 00 49 6e 43 68 49 3d 31 53 | Cl)Cl)(Cl)Cl..inchi.....InChI=1S |
2a000 | 2f 43 32 43 6c 36 2f 63 33 2d 31 28 34 2c 35 29 32 28 36 2c 37 29 38 00 09 75 70 64 61 74 65 64 | /C2Cl6/c3-1(4,5)2(6,7)8..updated |
2a020 | 5f 61 74 00 b0 f2 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 af f2 5e 46 50 01 00 00 | _at...^FP....created_at...^FP... |
2a040 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 8e | .default_fingerprint_size....... |
2a060 | 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 bc 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..g+r.+@....warnings... |
2a080 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c4 00 00 00 04 4d 50 32 44 00 b9 00 00 00 02 | ....fingerprints......MP2D...... |
2a0a0 | 30 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 31 00 | 0.....15;1-1-1;2-1-2;2-1-15;..1. |
2a0c0 | 17 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 32 2d 31 35 3b 32 2d 32 2d 33 32 3b 00 02 32 00 17 00 | ....1;1-1-2;1-2-15;2-2-32;..2... |
2a0e0 | 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 32 2d 31 35 3b 00 02 33 00 17 00 00 00 | ..2;1-1-1;1-2-32;2-2-15;..3..... |
2a100 | 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 34 00 17 00 00 00 33 32 | 32;1-1-2;2-1-1;2-1-32;..4.....32 |
2a120 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 35 00 17 00 00 00 31 35 3b 31 | ;1-1-2;2-1-1;2-1-32;..5.....15;1 |
2a140 | 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 0e 00 00 | -1-1;2-1-2;2-1-15;....smiles.... |
2a160 | 00 43 6c 43 28 43 28 3d 4f 29 4f 29 43 6c 00 02 69 6e 63 68 69 00 2c 00 00 00 49 6e 43 68 49 3d | .ClC(C(=O)O)Cl..inchi.,...InChI= |
2a180 | 31 53 2f 43 32 48 32 43 6c 32 4f 32 2f 63 33 2d 31 28 34 29 32 28 35 29 36 2f 68 31 48 2c 28 48 | 1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H |
2a1a0 | 2c 35 2c 36 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 b6 f2 5e 46 50 01 00 00 09 63 72 65 61 74 | ,5,6)..updated_at...^FP....creat |
2a1c0 | 65 64 5f 61 74 00 b4 f2 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at...^FP....default_fingerpri |
2a1e0 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 7d 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 | nt_size......}...._id.V..g+r.+@. |
2a200 | 00 bd 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 bd | ...warnings.......fingerprints.. |
2a220 | 00 00 00 04 4d 50 32 44 00 b2 00 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 | ....MP2D......0.....15;1-1-1;2-1 |
2a240 | 2d 31 3b 00 02 31 00 17 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d 31 36 | -1;..1.....1;1-1-1;1-1-15;2-3-16 |
2a260 | 3b 00 02 32 00 17 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 33 2d 31 36 3b 32 2d 31 2d 31 35 3b 00 | ;..2.....1;1-1-1;1-3-16;2-1-15;. |
2a280 | 02 33 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 36 3b 00 02 34 | .3.....16;1-1-1;2-1-1;2-2-16;..4 |
2a2a0 | 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 36 3b 00 02 35 00 17 | .....16;1-1-1;2-1-1;2-2-16;..5.. |
2a2c0 | 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 36 3b 00 00 00 02 73 6d 69 | ...16;1-1-1;2-1-1;2-2-16;....smi |
2a2e0 | 6c 65 73 00 0c 00 00 00 43 6c 43 43 28 46 29 28 46 29 46 00 02 69 6e 63 68 69 00 24 00 00 00 49 | les.....ClCC(F)(F)F..inchi.$...I |
2a300 | 6e 43 68 49 3d 31 53 2f 43 32 48 32 43 6c 46 33 2f 63 33 2d 31 2d 32 28 34 2c 35 29 36 2f 68 31 | nChI=1S/C2H2ClF3/c3-1-2(4,5)6/h1 |
2a320 | 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 ba f2 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | H2..updated_at...^FP....created_ |
2a340 | 61 74 00 b9 f2 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at...^FP....default_fingerprint_ |
2a360 | 73 69 7a 65 00 00 00 00 00 00 7a 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 be 04 | size......z...._id.V..g+r.+@.... |
2a380 | 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 bd 00 00 00 | warnings.......fingerprints..... |
2a3a0 | 04 4d 50 32 44 00 b2 00 00 00 02 30 00 10 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b | .MP2D......0.....16;1-1-1;2-1-1; |
2a3c0 | 00 02 31 00 17 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 36 3b 32 2d 33 2d 31 36 3b 00 02 | ..1.....1;1-1-1;1-1-16;2-3-16;.. |
2a3e0 | 32 00 17 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 33 2d 31 36 3b 32 2d 31 2d 31 36 3b 00 02 33 00 | 2.....1;1-1-1;1-3-16;2-1-16;..3. |
2a400 | 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 36 3b 00 02 34 00 17 00 | ....16;1-1-1;2-1-1;2-2-16;..4... |
2a420 | 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 36 3b 00 02 35 00 17 00 00 00 | ..16;1-1-1;2-1-1;2-2-16;..5..... |
2a440 | 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 36 3b 00 00 00 02 73 6d 69 6c 65 73 | 16;1-1-1;2-1-1;2-2-16;....smiles |
2a460 | 00 0b 00 00 00 46 43 43 28 46 29 28 46 29 46 00 02 69 6e 63 68 69 00 22 00 00 00 49 6e 43 68 49 | .....FCC(F)(F)F..inchi."...InChI |
2a480 | 3d 31 53 2f 43 32 48 32 46 34 2f 63 33 2d 31 2d 32 28 34 2c 35 29 36 2f 68 31 48 32 00 09 75 70 | =1S/C2H2F4/c3-1-2(4,5)6/h1H2..up |
2a4a0 | 64 61 74 65 64 5f 61 74 00 bf f2 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 be f2 5e | dated_at...^FP....created_at...^ |
2a4c0 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
2a4e0 | 00 00 00 00 0a 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 bf 04 77 61 72 6e 69 6e | ........._id.V..g+r.+@....warnin |
2a500 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 55 00 00 00 04 4d 50 32 44 00 | gs.......fingerprints.U....MP2D. |
2a520 | 4a 00 00 00 02 30 00 10 00 00 00 31 34 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 02 31 00 10 00 | J....0.....14;1-1-2;2-1-2;..1... |
2a540 | 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 34 3b 00 02 32 00 10 00 00 00 32 3b 31 2d 31 2d 32 | ..2;1-1-2;1-1-14;..2.....2;1-1-2 |
2a560 | 3b 32 2d 31 2d 31 34 3b 00 00 00 02 73 6d 69 6c 65 73 00 06 00 00 00 42 72 43 3d 43 00 02 69 6e | ;2-1-14;....smiles.....BrC=C..in |
2a580 | 63 68 69 00 1f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 33 42 72 2f 63 31 2d 32 2d 33 2f 68 | chi.....InChI=1S/C2H3Br/c1-2-3/h |
2a5a0 | 32 48 2c 31 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 c3 f2 5e 46 50 01 00 00 09 63 72 65 61 | 2H,1H2..updated_at...^FP....crea |
2a5c0 | 74 65 64 5f 61 74 00 c2 f2 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at...^FP....default_fingerpr |
2a5e0 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 0a 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 | int_size..........._id.V..g+r.+@ |
2a600 | 00 00 c0 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 | ....warnings.......fingerprints. |
2a620 | 55 00 00 00 04 4d 50 32 44 00 4a 00 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d | U....MP2D.J....0.....15;1-1-2;2- |
2a640 | 31 2d 32 3b 00 02 31 00 10 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 00 02 32 00 10 | 1-2;..1.....2;1-1-2;1-1-15;..2.. |
2a660 | 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 06 00 00 | ...2;1-1-2;2-1-15;....smiles.... |
2a680 | 00 43 6c 43 3d 43 00 02 69 6e 63 68 69 00 1f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 33 43 | .ClC=C..inchi.....InChI=1S/C2H3C |
2a6a0 | 6c 2f 63 31 2d 32 2d 33 2f 68 32 48 2c 31 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 c8 f2 5e | l/c1-2-3/h2H,1H2..updated_at...^ |
2a6c0 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c7 f2 5e 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at...^FP....defaul |
2a6e0 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 72 01 00 00 07 5f 69 64 | t_fingerprint_size......r...._id |
2a700 | 00 56 16 1c 67 2b 72 ed 2b 40 00 00 c1 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..g+r.+@....warnings.......fin |
2a720 | 67 65 72 70 72 69 6e 74 73 00 b4 00 00 00 04 4d 50 32 44 00 a9 00 00 00 02 30 00 17 00 00 00 31 | gerprints......MP2D......0.....1 |
2a740 | 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b 32 2d 31 2d 31 36 3b 00 02 31 00 17 00 00 00 31 3b 31 | ;1-1-1;2-2-15;2-1-16;..1.....1;1 |
2a760 | 2d 31 2d 31 3b 31 2d 32 2d 31 35 3b 31 2d 31 2d 31 36 3b 00 02 32 00 1e 00 00 00 31 35 3b 31 2d | -1-1;1-2-15;1-1-16;..2.....15;1- |
2a780 | 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 31 36 3b 00 02 33 00 1e 00 00 00 | 1-1;2-1-1;2-1-15;2-1-16;..3..... |
2a7a0 | 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 31 36 3b 00 02 34 | 15;1-1-1;2-1-1;2-1-15;2-1-16;..4 |
2a7c0 | 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b 00 00 00 02 73 | .....16;1-1-1;2-1-1;2-2-15;....s |
2a7e0 | 6d 69 6c 65 73 00 0c 00 00 00 43 43 28 43 6c 29 28 43 6c 29 46 00 02 69 6e 63 68 69 00 22 00 00 | miles.....CC(Cl)(Cl)F..inchi.".. |
2a800 | 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 33 43 6c 32 46 2f 63 31 2d 32 28 33 2c 34 29 35 2f 68 31 | .InChI=1S/C2H3Cl2F/c1-2(3,4)5/h1 |
2a820 | 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 cd f2 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | H3..updated_at...^FP....created_ |
2a840 | 61 74 00 cc f2 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at...^FP....default_fingerprint_ |
2a860 | 73 69 7a 65 00 00 00 00 00 00 08 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 c2 04 | size..........._id.V..g+r.+@.... |
2a880 | 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 55 00 00 00 | warnings.......fingerprints.U... |
2a8a0 | 04 4d 50 32 44 00 4a 00 00 00 02 30 00 10 00 00 00 31 36 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b | .MP2D.J....0.....16;1-1-2;2-1-2; |
2a8c0 | 00 02 31 00 10 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 36 3b 00 02 32 00 10 00 00 00 32 | ..1.....2;1-1-2;1-1-16;..2.....2 |
2a8e0 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 05 00 00 00 46 43 3d | ;1-1-2;2-1-16;....smiles.....FC= |
2a900 | 43 00 02 69 6e 63 68 69 00 1e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 33 46 2f 63 31 2d 32 | C..inchi.....InChI=1S/C2H3F/c1-2 |
2a920 | 2d 33 2f 68 32 48 2c 31 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 d2 f2 5e 46 50 01 00 00 09 | -3/h2H,1H2..updated_at...^FP.... |
2a940 | 63 72 65 61 74 65 64 5f 61 74 00 d0 f2 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at...^FP....default_fing |
2a960 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 0f 02 00 00 07 5f 69 64 00 56 16 1c 67 2b | erprint_size..........._id.V..g+ |
2a980 | 72 ed 2b 40 00 00 c3 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.+@....warnings.......fingerpri |
2a9a0 | 6e 74 73 00 3f 01 00 00 04 4d 50 32 44 00 34 01 00 00 02 30 00 10 00 00 00 36 3b 31 2d 31 2d 33 | nts.?....MP2D.4....0.....6;1-1-3 |
2a9c0 | 3b 32 2d 32 2d 31 31 3b 00 02 31 00 24 00 00 00 33 3b 31 2d 31 2d 36 3b 31 2d 32 2d 31 31 3b 32 | ;2-2-11;..1.$...3;1-1-6;1-2-11;2 |
2a9e0 | 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 02 32 00 17 00 00 00 31 31 3b 31 2d | -1-3;2-1-11;2-1-13;..2.....11;1- |
2aa00 | 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 32 2d 31 31 3b 00 02 33 00 1e 00 00 00 33 3b 31 2d 32 2d 31 | 2-3;2-1-6;2-2-11;..3.....3;1-2-1 |
2aa20 | 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 02 34 00 2c 00 00 00 31 31 | 1;2-1-3;2-1-11;2-1-13;..4.,...11 |
2aa40 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 | ;1-1-3;1-1-11;1-1-13;2-1-3;2-1-1 |
2aa60 | 31 3b 32 2d 31 2d 31 33 3b 00 02 35 00 18 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 | 1;2-1-13;..5.....13;1-1-11;2-1-3 |
2aa80 | 3b 32 2d 31 2d 31 31 3b 00 02 36 00 32 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b | ;2-1-11;..6.2...11;1-1-3;1-1-11; |
2aaa0 | 31 2d 31 2d 31 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 33 | 1-1-13;2-1-3;2-1-6;2-1-11;2-1-13 |
2aac0 | 3b 00 02 37 00 18 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b | ;..7.....13;1-1-11;2-1-3;2-1-11; |
2aae0 | 00 00 00 02 73 6d 69 6c 65 73 00 10 00 00 00 4e 3d 63 31 6e 63 5b 6e 48 5d 5b 6e 48 5d 31 00 02 | ....smiles.....N=c1nc[nH][nH]1.. |
2ab00 | 69 6e 63 68 69 00 30 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 34 4e 34 2f 63 33 2d 32 2d 34 | inchi.0...InChI=1S/C2H4N4/c3-2-4 |
2ab20 | 2d 31 2d 35 2d 36 2d 32 2f 68 31 48 2c 28 48 33 2c 33 2c 34 2c 35 2c 36 29 00 09 75 70 64 61 74 | -1-5-6-2/h1H,(H3,3,4,5,6)..updat |
2ab40 | 65 64 5f 61 74 00 d7 f2 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d6 f2 5e 46 50 01 | ed_at...^FP....created_at...^FP. |
2ab60 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
2ab80 | 00 05 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 c4 04 77 61 72 6e 69 6e 67 73 00 | ......_id.V..g+r.+@....warnings. |
2aba0 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 52 00 00 00 04 4d 50 32 44 00 47 00 00 | ......fingerprints.R....MP2D.G.. |
2abc0 | 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 00 0f 00 00 00 32 3b | ..0.....1;1-1-2;2-1-9;..1.....2; |
2abe0 | 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 00 02 32 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d | 1-1-1;1-1-9;..2.....9;1-1-2;2-1- |
2ac00 | 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 05 00 00 00 43 43 3d 4f 00 02 69 6e 63 68 69 00 1e 00 00 | 1;....smiles.....CC=O..inchi.... |
2ac20 | 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 34 4f 2f 63 31 2d 32 2d 33 2f 68 32 48 2c 31 48 33 00 09 | .InChI=1S/C2H4O/c1-2-3/h2H,1H3.. |
2ac40 | 75 70 64 61 74 65 64 5f 61 74 00 dc f2 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 db | updated_at...^FP....created_at.. |
2ac60 | f2 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | .^FP....default_fingerprint_size |
2ac80 | 00 00 00 00 00 00 0a 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 c5 04 77 61 72 6e | ..........._id.V..g+r.+@....warn |
2aca0 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 55 00 00 00 04 4d 50 32 | ings.......fingerprints.U....MP2 |
2acc0 | 44 00 4a 00 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 34 3b 00 02 31 00 | D.J....0.....1;1-1-1;2-1-14;..1. |
2ace0 | 10 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 34 3b 00 02 32 00 10 00 00 00 31 34 3b 31 2d | ....1;1-1-1;1-1-14;..2.....14;1- |
2ad00 | 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 05 00 00 00 43 43 42 72 00 02 69 | 1-1;2-1-1;....smiles.....CCBr..i |
2ad20 | 6e 63 68 69 00 20 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 35 42 72 2f 63 31 2d 32 2d 33 2f | nchi.....InChI=1S/C2H5Br/c1-2-3/ |
2ad40 | 68 32 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 e1 f2 5e 46 50 01 00 00 09 63 72 | h2H2,1H3..updated_at...^FP....cr |
2ad60 | 65 61 74 65 64 5f 61 74 00 df f2 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at...^FP....default_finger |
2ad80 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 2a 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed | print_size......*...._id.V..g+r. |
2ada0 | 2b 40 00 00 c6 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | +@....warnings.......fingerprint |
2adc0 | 73 00 71 00 00 00 04 4d 50 32 44 00 66 00 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 | s.q....MP2D.f....0.....1;1-1-8;2 |
2ade0 | 2d 31 2d 31 3b 00 02 31 00 10 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 32 00 | -1-1;..1.....8;1-2-1;2-1-15;..2. |
2ae00 | 16 00 00 00 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 00 02 33 00 10 00 00 | ....1;1-1-8;1-1-15;2-1-1;..3.... |
2ae20 | 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 06 00 00 00 43 | .15;1-1-1;2-1-8;....smiles.....C |
2ae40 | 4f 43 43 6c 00 02 69 6e 63 68 69 00 23 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 35 43 6c 4f | OCCl..inchi.#...InChI=1S/C2H5ClO |
2ae60 | 2f 63 31 2d 34 2d 32 2d 33 2f 68 32 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 e6 | /c1-4-2-3/h2H2,1H3..updated_at.. |
2ae80 | f2 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e4 f2 5e 46 50 01 00 00 10 64 65 66 61 | .^FP....created_at...^FP....defa |
2aea0 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 c0 01 00 00 07 5f | ult_fingerprint_size..........._ |
2aec0 | 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 c7 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..g+r.+@....warnings.......f |
2aee0 | 69 6e 67 65 72 70 72 69 6e 74 73 00 f3 00 00 00 04 4d 50 32 44 00 e8 00 00 00 02 30 00 16 00 00 | ingerprints......MP2D......0.... |
2af00 | 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 31 00 22 00 00 00 31 39 | .1;1-1-19;2-1-2;2-1-6;..1."...19 |
2af20 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 36 3b 32 2d 32 2d 39 3b 00 | ;1-1-1;1-1-2;1-1-6;2-1-6;2-2-9;. |
2af40 | 02 32 00 22 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d | .2."...2;1-1-6;1-1-9;1-1-19;2-1- |
2af60 | 31 3b 32 2d 31 2d 36 3b 00 02 33 00 16 00 00 00 36 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d | 1;2-1-6;..3.....6;1-1-2;2-1-9;2- |
2af80 | 31 2d 31 39 3b 00 02 34 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 | 1-19;..4.....9;1-1-2;2-1-6;2-1-1 |
2afa0 | 39 3b 00 02 35 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 | 9;..5.....6;1-1-9;1-1-19;2-1-1;2 |
2afc0 | 2d 31 2d 32 3b 00 02 36 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 00 00 02 | -1-2;..6.....9;1-1-6;2-1-19;.... |
2afe0 | 73 6d 69 6c 65 73 00 0e 00 00 00 43 4e 28 43 28 3d 4e 29 4f 29 4e 3d 4f 00 02 69 6e 63 68 69 00 | smiles.....CN(C(=N)O)N=O..inchi. |
2b000 | 2f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 35 4e 33 4f 32 2f 63 31 2d 35 28 34 2d 37 29 32 | /...InChI=1S/C2H5N3O2/c1-5(4-7)2 |
2b020 | 28 33 29 36 2f 68 31 48 33 2c 28 48 32 2c 33 2c 36 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 eb | (3)6/h1H3,(H2,3,6)..updated_at.. |
2b040 | f2 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ea f2 5e 46 50 01 00 00 10 64 65 66 61 | .^FP....created_at...^FP....defa |
2b060 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 2e 02 00 00 07 5f | ult_fingerprint_size..........._ |
2b080 | 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 c8 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..g+r.+@....warnings.......f |
2b0a0 | 69 6e 67 65 72 70 72 69 6e 74 73 00 53 01 00 00 04 4d 50 32 44 00 48 01 00 00 02 30 00 10 00 00 | ingerprints.S....MP2D.H....0.... |
2b0c0 | 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 00 1d 00 00 00 36 3b 31 2d 31 2d 39 3b | .9;1-1-6;2-1-19;..1.....6;1-1-9; |
2b0e0 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 33 3b 00 02 32 00 24 00 00 00 31 39 3b 31 | 1-1-19;2-1-1;2-1-33;..2.$...19;1 |
2b100 | 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 33 33 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 39 3b 00 | -1-1;1-1-6;1-1-33;2-1-9;2-2-19;. |
2b120 | 02 33 00 1e 00 00 00 33 33 3b 31 2d 33 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 | .3.....33;1-3-19;2-1-1;2-1-6;2-1 |
2b140 | 2d 31 39 3b 00 02 34 00 12 00 00 00 31 39 3b 31 2d 31 2d 33 33 3b 32 2d 32 2d 31 39 3b 00 02 35 | -19;..4.....19;1-1-33;2-2-19;..5 |
2b160 | 00 1f 00 00 00 31 39 3b 31 2d 31 2d 31 39 3b 31 2d 31 2d 33 33 3b 32 2d 32 2d 39 3b 32 2d 32 2d | .....19;1-1-19;1-1-33;2-2-9;2-2- |
2b180 | 31 39 3b 00 02 36 00 18 00 00 00 31 39 3b 31 2d 32 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 | 19;..6.....19;1-2-9;1-1-19;2-1-3 |
2b1a0 | 33 3b 00 02 37 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b | 3;..7.....9;1-1-19;2-1-9;2-1-19; |
2b1c0 | 00 02 38 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 | ..8.....9;1-1-19;2-1-9;2-1-19;.. |
2b1e0 | 39 00 17 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 36 3b 32 2d 31 2d 33 33 3b 00 00 00 02 | 9.....1;1-1-19;2-1-6;2-1-33;.... |
2b200 | 73 6d 69 6c 65 73 00 15 00 00 00 4f 3d 4e 4e 28 43 28 3d 4e 29 4e 4e 28 3d 4f 29 3d 4f 29 43 00 | smiles.....O=NN(C(=N)NN(=O)=O)C. |
2b220 | 02 69 6e 63 68 69 00 36 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 35 4e 35 4f 33 2f 63 31 2d | .inchi.6...InChI=1S/C2H5N5O3/c1- |
2b240 | 36 28 35 2d 38 29 32 28 33 29 34 2d 37 28 39 29 31 30 2f 68 31 48 33 2c 28 48 32 2c 33 2c 34 29 | 6(5-8)2(3)4-7(9)10/h1H3,(H2,3,4) |
2b260 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 f0 f2 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at...^FP....created_at |
2b280 | 00 ef f2 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | ...^FP....default_fingerprint_si |
2b2a0 | 7a 65 00 00 00 00 00 00 3f 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 c9 04 77 61 | ze......?...._id.V..g+r.+@....wa |
2b2c0 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 80 00 00 00 04 4d | rnings.......fingerprints......M |
2b2e0 | 50 32 44 00 75 00 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 | P2D.u....0.....1;1-1-2;2-1-6;2-1 |
2b300 | 2d 39 3b 00 02 31 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 00 | -9;..1.....2;1-1-1;1-1-6;1-1-9;. |
2b320 | 02 32 00 15 00 00 00 36 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 15 | .2.....6;1-1-2;2-1-1;2-1-9;..3.. |
2b340 | 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 | ...9;1-1-2;2-1-1;2-1-6;....smile |
2b360 | 73 00 08 00 00 00 43 43 28 3d 4e 29 4f 00 02 69 6e 63 68 69 00 27 00 00 00 49 6e 43 68 49 3d 31 | s.....CC(=N)O..inchi.'...InChI=1 |
2b380 | 53 2f 43 32 48 35 4e 4f 2f 63 31 2d 32 28 33 29 34 2f 68 31 48 33 2c 28 48 32 2c 33 2c 34 29 00 | S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4). |
2b3a0 | 09 75 70 64 61 74 65 64 5f 61 74 00 f5 f2 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at...^FP....created_at. |
2b3c0 | f4 f2 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | ..^FP....default_fingerprint_siz |
2b3e0 | 65 00 00 00 00 00 00 59 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 ca 04 77 61 72 | e......Y...._id.V..g+r.+@....war |
2b400 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 96 00 00 00 04 4d 50 | nings.......fingerprints......MP |
2b420 | 32 44 00 8b 00 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 00 02 31 00 | 2D......0.....1;1-1-9;2-1-2;..1. |
2b440 | 1b 00 00 00 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 | ....9;1-1-1;1-1-2;2-1-6;2-1-9;.. |
2b460 | 32 00 15 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 32 2d 39 3b 32 2d 31 2d 31 3b 00 02 33 00 0f 00 | 2.....2;1-1-6;1-2-9;2-1-1;..3... |
2b480 | 00 00 36 3b 31 2d 31 2d 32 3b 32 2d 32 2d 39 3b 00 02 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b | ..6;1-1-2;2-2-9;..4.....9;1-1-2; |
2b4a0 | 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 09 00 00 00 43 4f 43 28 3d | 2-1-6;2-1-9;....smiles.....COC(= |
2b4c0 | 4e 29 4f 00 02 69 6e 63 68 69 00 2a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 35 4e 4f 32 2f | N)O..inchi.*...InChI=1S/C2H5NO2/ |
2b4e0 | 63 31 2d 35 2d 32 28 33 29 34 2f 68 31 48 33 2c 28 48 32 2c 33 2c 34 29 00 09 75 70 64 61 74 65 | c1-5-2(3)4/h1H3,(H2,3,4)..update |
2b500 | 64 5f 61 74 00 fa f2 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f9 f2 5e 46 50 01 00 | d_at...^FP....created_at...^FP.. |
2b520 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 | ..default_fingerprint_size...... |
2b540 | 60 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 cb 04 77 61 72 6e 69 6e 67 73 00 05 | `...._id.V..g+r.+@....warnings.. |
2b560 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 9c 00 00 00 04 4d 50 32 44 00 91 00 00 00 | .....fingerprints......MP2D..... |
2b580 | 02 30 00 0f 00 00 00 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 00 16 00 00 00 31 3b 31 | .0.....5;1-1-1;2-1-2;..1.....1;1 |
2b5a0 | 2d 31 2d 32 3b 31 2d 31 2d 35 3b 32 2d 32 2d 33 32 3b 00 02 32 00 16 00 00 00 32 3b 31 2d 31 2d | -1-2;1-1-5;2-2-32;..2.....2;1-1- |
2b5c0 | 31 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d 35 3b 00 02 33 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b | 1;1-2-32;2-1-5;..3.....32;1-1-2; |
2b5e0 | 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 34 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d | 2-1-1;2-1-32;..4.....32;1-1-2;2- |
2b600 | 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 09 00 00 00 4e 43 43 28 3d 4f | 1-1;2-1-32;....smiles.....NCC(=O |
2b620 | 29 4f 00 02 69 6e 63 68 69 00 2b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 35 4e 4f 32 2f 63 | )O..inchi.+...InChI=1S/C2H5NO2/c |
2b640 | 33 2d 31 2d 32 28 34 29 35 2f 68 31 2c 33 48 32 2c 28 48 2c 34 2c 35 29 00 09 75 70 64 61 74 65 | 3-1-2(4)5/h1,3H2,(H,4,5)..update |
2b660 | 64 5f 61 74 00 ff f2 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 fe f2 5e 46 50 01 00 | d_at...^FP....created_at...^FP.. |
2b680 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 | ..default_fingerprint_size...... |
2b6a0 | 43 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 cc 04 77 61 72 6e 69 6e 67 73 00 05 | C...._id.V..g+r.+@....warnings.. |
2b6c0 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 84 00 00 00 04 4d 50 32 44 00 79 00 00 00 | .....fingerprints......MP2D.y... |
2b6e0 | 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 30 3b 00 02 31 00 | .0.....1;1-1-2;2-1-6;2-1-10;..1. |
2b700 | 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 30 3b 00 02 32 00 16 00 00 | ....2;1-1-1;1-1-6;1-1-10;..2.... |
2b720 | 00 36 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 33 00 16 00 00 00 31 30 | .6;1-1-2;2-1-1;2-1-10;..3.....10 |
2b740 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 08 00 | ;1-1-2;2-1-1;2-1-6;....smiles... |
2b760 | 00 00 43 43 28 3d 4e 29 53 00 02 69 6e 63 68 69 00 27 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 | ..CC(=N)S..inchi.'...InChI=1S/C2 |
2b780 | 48 35 4e 53 2f 63 31 2d 32 28 33 29 34 2f 68 31 48 33 2c 28 48 32 2c 33 2c 34 29 00 09 75 70 64 | H5NS/c1-2(3)4/h1H3,(H2,3,4)..upd |
2b7a0 | 61 74 65 64 5f 61 74 00 04 f3 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 03 f3 5e 46 | ated_at...^FP....created_at...^F |
2b7c0 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
2b7e0 | 00 00 00 08 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 cd 04 77 61 72 6e 69 6e 67 | ........_id.V..g+r.+@....warning |
2b800 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 52 00 00 00 04 4d 50 32 44 00 47 | s.......fingerprints.R....MP2D.G |
2b820 | 00 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 0f 00 00 00 | ....0.....1;1-1-1;2-1-8;..1..... |
2b840 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 00 02 32 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d | 1;1-1-1;1-1-8;..2.....8;1-1-1;2- |
2b860 | 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 04 00 00 00 43 43 4f 00 02 69 6e 63 68 69 00 22 00 | 1-1;....smiles.....CCO..inchi.". |
2b880 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 36 4f 2f 63 31 2d 32 2d 33 2f 68 33 48 2c 32 48 32 2c | ..InChI=1S/C2H6O/c1-2-3/h3H,2H2, |
2b8a0 | 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 09 f3 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 | 1H3..updated_at...^FP....created |
2b8c0 | 5f 61 74 00 08 f3 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...^FP....default_fingerprint |
2b8e0 | 5f 73 69 7a 65 00 00 00 00 00 00 a7 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 ce | _size..........._id.V..g+r.+@... |
2b900 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 e2 00 00 | .warnings.......fingerprints.... |
2b920 | 00 04 4d 50 32 44 00 d7 00 00 00 02 30 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 | ..MP2D......0.....15;1-1-1;2-1-1 |
2b940 | 3b 32 2d 31 2d 31 35 3b 00 02 31 00 17 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 31 35 3b 32 | ;2-1-15;..1.....1;1-1-1;1-2-15;2 |
2b960 | 2d 33 2d 31 36 3b 00 02 32 00 17 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 33 2d 31 36 3b 32 2d 32 | -3-16;..2.....1;1-1-1;1-3-16;2-2 |
2b980 | 2d 31 35 3b 00 02 33 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 | -15;..3.....16;1-1-1;2-1-1;2-2-1 |
2b9a0 | 36 3b 00 02 34 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 36 3b | 6;..4.....16;1-1-1;2-1-1;2-2-16; |
2b9c0 | 00 02 35 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 36 3b 00 02 | ..5.....16;1-1-1;2-1-1;2-2-16;.. |
2b9e0 | 36 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 00 00 00 02 | 6.....15;1-1-1;2-1-1;2-1-15;.... |
2ba00 | 73 6d 69 6c 65 73 00 10 00 00 00 43 6c 43 28 43 28 46 29 28 46 29 46 29 43 6c 00 02 69 6e 63 68 | smiles.....ClC(C(F)(F)F)Cl..inch |
2ba20 | 69 00 25 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 43 6c 32 46 33 2f 63 33 2d 31 28 34 29 32 | i.%...InChI=1S/C2HCl2F3/c3-1(4)2 |
2ba40 | 28 35 2c 36 29 37 2f 68 31 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 0e f3 5e 46 50 01 00 00 09 | (5,6)7/h1H..updated_at...^FP.... |
2ba60 | 63 72 65 61 74 65 64 5f 61 74 00 0c f3 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at...^FP....default_fing |
2ba80 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 e6 09 00 00 07 5f 69 64 00 56 16 1c 67 2b | erprint_size..........._id.V..g+ |
2baa0 | 72 ed 2b 40 00 00 cf 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.+@....warnings.......fingerpri |
2bac0 | 6e 74 73 00 d2 07 00 00 04 4d 50 32 44 00 c7 07 00 00 02 30 00 10 00 00 00 31 39 3b 31 2d 31 2d | nts......MP2D......0.....19;1-1- |
2bae0 | 33 3b 32 2d 32 2d 33 3b 00 02 31 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 | 3;2-2-3;..1.....3;1-2-3;1-1-19;2 |
2bb00 | 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -1-2;2-2-3;..2.....3;1-2-3;2-2-3 |
2bb20 | 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 39 3b 00 02 33 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | ;2-1-10;2-1-19;..3."...3;1-2-3;1 |
2bb40 | 2d 31 2d 31 30 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 34 00 1c 00 00 00 | -1-10;2-2-3;2-1-8;2-2-9;..4..... |
2bb60 | 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 35 00 1b | 3;1-2-3;2-1-2;2-2-3;2-1-10;..5.. |
2bb80 | 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 | ...3;1-1-2;1-2-3;2-2-2;2-2-3;..6 |
2bba0 | 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 32 | .(...3;1-1-2;1-2-3;2-2-2;2-2-3;2 |
2bbc0 | 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 37 00 27 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d | -1-9;2-1-19;..7.'...2;1-1-2;1-1- |
2bbe0 | 33 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 38 00 15 00 | 3;1-1-9;2-1-2;2-2-3;2-1-6;..8... |
2bc00 | 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 39 00 2f 00 00 00 32 3b | ..9;1-1-2;2-1-2;2-1-3;..9./...2; |
2bc20 | 31 2d 32 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d | 1-2-2;1-1-6;2-1-2;2-1-3;2-1-9;2- |
2bc40 | 31 2d 31 30 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 1c 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 | 1-10;2-1-19;..10.....6;1-1-2;1-1 |
2bc60 | 2d 31 39 3b 32 2d 32 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 31 00 1c 00 00 00 31 39 3b 31 2d 31 2d | -19;2-2-2;2-1-3;..11.....19;1-1- |
2bc80 | 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 32 00 1c 00 00 00 33 3b 31 | 3;1-1-6;2-1-2;2-2-3;..12.....3;1 |
2bca0 | 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 33 00 16 00 00 | -2-3;1-1-19;2-2-3;2-1-6;..13.... |
2bcc0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 34 00 0f 00 00 00 33 | .3;1-2-3;2-2-3;2-1-19;..14.....3 |
2bce0 | 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d | ;1-2-3;2-3-3;..15.....3;1-3-3;2- |
2bd00 | 34 2d 33 3b 00 02 31 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 37 00 | 4-3;..16.....3;1-2-3;2-3-3;..17. |
2bd20 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 38 00 0f 00 | ....3;1-2-3;2-2-3;2-1-19;..18... |
2bd40 | 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | ..3;1-3-3;2-4-3;..19.....3;1-2-3 |
2bd60 | 3b 32 2d 33 2d 33 3b 00 02 32 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | ;2-3-3;..20.....3;1-2-3;2-2-3;2- |
2bd80 | 31 2d 31 39 3b 00 02 32 31 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 | 1-19;..21.....3;1-2-3;1-1-19;2-2 |
2bda0 | 2d 33 3b 32 2d 31 2d 36 3b 00 02 32 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | -3;2-1-6;..22.....3;1-2-3;2-2-3; |
2bdc0 | 32 2d 31 2d 31 39 3b 00 02 32 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 | 2-1-19;..23.....3;1-2-3;2-3-3;.. |
2bde0 | 32 34 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d | 24.....19;1-1-3;1-1-6;2-1-2;2-2- |
2be00 | 33 3b 00 02 32 35 00 1c 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 32 3b | 3;..25.....6;1-1-2;1-1-19;2-2-2; |
2be20 | 32 2d 31 2d 33 3b 00 02 32 36 00 2f 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 | 2-1-3;..26./...2;1-2-2;1-1-6;2-1 |
2be40 | 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 39 3b 00 02 32 | -2;2-1-3;2-1-9;2-1-10;2-1-19;..2 |
2be60 | 37 00 27 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b | 7.'...2;1-1-2;1-1-3;1-1-9;2-1-2; |
2be80 | 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 32 38 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 | 2-2-3;2-1-6;..28.....9;1-1-2;2-1 |
2bea0 | 2d 32 3b 32 2d 31 2d 33 3b 00 02 32 39 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b | -2;2-1-3;..29.(...3;1-1-2;1-2-3; |
2bec0 | 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 33 30 00 1c 00 | 2-2-2;2-2-3;2-1-9;2-1-19;..30... |
2bee0 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 33 | ..3;1-2-3;1-1-19;2-1-2;2-2-3;..3 |
2bf00 | 31 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 33 32 00 1d 00 00 00 33 3b | 1.....19;1-1-3;2-2-3;..32.....3; |
2bf20 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 39 3b 00 02 33 33 00 22 | 1-2-3;2-2-3;2-1-10;2-1-19;..33." |
2bf40 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d | ...3;1-2-3;1-1-10;2-2-3;2-1-8;2- |
2bf60 | 32 2d 39 3b 00 02 33 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 | 2-9;..34.....3;1-2-3;2-1-2;2-2-3 |
2bf80 | 3b 32 2d 31 2d 31 30 3b 00 02 33 35 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 | ;2-1-10;..35.....3;1-1-2;1-2-3;2 |
2bfa0 | 2d 32 2d 32 3b 32 2d 32 2d 33 3b 00 02 33 36 00 22 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d | -2-2;2-2-3;..36."...2;1-1-2;1-1- |
2bfc0 | 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 33 37 00 2e 00 00 00 32 3b | 3;2-1-2;2-2-3;2-1-10;..37.....2; |
2bfe0 | 31 2d 32 2d 32 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 | 1-2-2;1-1-10;2-1-2;2-1-3;2-1-6;2 |
2c000 | 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 33 38 00 1c 00 00 00 31 30 3b 31 2d 31 2d 32 3b 31 2d 31 | -1-8;2-2-9;..38.....10;1-1-2;1-1 |
2c020 | 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 32 3b 00 02 33 39 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 | -8;1-2-9;2-2-2;..39.....9;1-1-10 |
2c040 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 34 30 00 1c 00 00 00 39 3b 31 2d | ;2-1-2;2-1-8;2-1-9;..40.....9;1- |
2c060 | 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 34 31 00 16 00 00 00 | 1-10;2-1-2;2-1-8;2-1-9;..41..... |
2c080 | 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 2d 32 2d 39 3b 00 02 34 32 00 1c 00 00 00 31 30 | 8;1-1-10;2-1-2;2-2-9;..42.....10 |
2c0a0 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 34 33 00 1c 00 | ;1-1-3;1-1-8;1-2-9;2-2-3;..43... |
2c0c0 | 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 34 | ..9;1-1-10;2-1-3;2-1-8;2-1-9;..4 |
2c0e0 | 34 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 | 4.....9;1-1-10;2-1-3;2-1-8;2-1-9 |
2c100 | 3b 00 02 34 35 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 | ;..45.....8;1-1-10;2-1-3;2-2-9;. |
2c120 | 02 34 36 00 2e 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 2d 31 | .46.....2;1-2-2;1-1-10;2-1-2;2-1 |
2c140 | 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 34 37 00 22 00 00 00 32 3b | -3;2-1-6;2-1-8;2-2-9;..47."...2; |
2c160 | 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 | 1-1-2;1-1-3;2-1-2;2-2-3;2-1-10;. |
2c180 | 02 34 38 00 1c 00 00 00 31 30 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 | .48.....10;1-1-2;1-1-8;1-2-9;2-2 |
2c1a0 | 2d 32 3b 00 02 34 39 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 | -2;..49.....9;1-1-10;2-1-2;2-1-8 |
2c1c0 | 3b 32 2d 31 2d 39 3b 00 02 35 30 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 | ;2-1-9;..50.....9;1-1-10;2-1-2;2 |
2c1e0 | 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 31 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 | -1-8;2-1-9;..51.....8;1-1-10;2-1 |
2c200 | 2d 32 3b 32 2d 32 2d 39 3b 00 02 35 32 00 1c 00 00 00 31 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 | -2;2-2-9;..52.....10;1-1-3;1-1-8 |
2c220 | 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 35 33 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 | ;1-2-9;2-2-3;..53.....9;1-1-10;2 |
2c240 | 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 34 00 1c 00 00 00 39 3b 31 2d 31 2d | -1-3;2-1-8;2-1-9;..54.....9;1-1- |
2c260 | 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 35 00 16 00 00 00 38 3b | 10;2-1-3;2-1-8;2-1-9;..55.....8; |
2c280 | 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 75 00 | 1-1-10;2-1-3;2-2-9;....smiles.u. |
2c2a0 | 00 00 4e 63 31 63 63 28 63 63 32 63 31 43 28 3d 4f 29 43 28 3d 4e 4e 63 31 63 63 63 28 63 63 31 | ..Nc1cc(cc2c1C(=O)C(=NNc1ccc(cc1 |
2c2c0 | 29 63 31 63 63 63 28 63 63 31 29 4e 4e 3d 43 31 43 28 3d 4f 29 63 33 63 28 4e 29 63 63 28 63 63 | )c1ccc(cc1)NN=C1C(=O)c3c(N)cc(cc |
2c2e0 | 33 43 3d 43 31 53 28 3d 4f 29 28 3d 4f 29 4f 29 53 28 3d 4f 29 28 3d 4f 29 4f 29 43 28 3d 43 32 | 3C=C1S(=O)(=O)O)S(=O)(=O)O)C(=C2 |
2c300 | 29 53 28 3d 4f 29 28 3d 4f 29 4f 29 53 28 3d 4f 29 28 3d 4f 29 4f 00 02 69 6e 63 68 69 00 0f 01 | )S(=O)(=O)O)S(=O)(=O)O..inchi... |
2c320 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 32 48 32 34 4e 36 4f 31 34 53 34 2f 63 33 33 2d 32 33 2d | ..InChI=1S/C32H24N6O14S4/c33-23- |
2c340 | 31 33 2d 32 31 28 35 33 28 34 31 2c 34 32 29 34 33 29 39 2d 31 37 2d 31 31 2d 32 35 28 35 35 28 | 13-21(53(41,42)43)9-17-11-25(55( |
2c360 | 34 37 2c 34 38 29 34 39 29 32 39 28 33 31 28 33 39 29 32 37 28 31 37 29 32 33 29 33 37 2d 33 35 | 47,48)49)29(31(39)27(17)23)37-35 |
2c380 | 2d 31 39 2d 35 2d 31 2d 31 35 28 32 2d 36 2d 31 39 29 31 36 2d 33 2d 37 2d 32 30 28 38 2d 34 2d | -19-5-1-15(2-6-19)16-3-7-20(8-4- |
2c3a0 | 31 36 29 33 36 2d 33 38 2d 33 30 2d 32 36 28 35 36 28 35 30 2c 35 31 29 35 32 29 31 32 2d 31 38 | 16)36-38-30-26(56(50,51)52)12-18 |
2c3c0 | 2d 31 30 2d 32 32 28 35 34 28 34 34 2c 34 35 29 34 36 29 31 34 2d 32 34 28 33 34 29 32 38 28 31 | -10-22(54(44,45)46)14-24(34)28(1 |
2c3e0 | 38 29 33 32 28 33 30 29 34 30 2f 68 31 2d 31 34 2c 33 35 2d 33 36 48 2c 33 33 2d 33 34 48 32 2c | 8)32(30)40/h1-14,35-36H,33-34H2, |
2c400 | 28 48 2c 34 31 2c 34 32 2c 34 33 29 28 48 2c 34 34 2c 34 35 2c 34 36 29 28 48 2c 34 37 2c 34 38 | (H,41,42,43)(H,44,45,46)(H,47,48 |
2c420 | 2c 34 39 29 28 48 2c 35 30 2c 35 31 2c 35 32 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 19 f3 5e | ,49)(H,50,51,52)..updated_at...^ |
2c440 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 18 f3 5e 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at...^FP....defaul |
2c460 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 46 0a 00 00 07 5f 69 64 | t_fingerprint_size......F...._id |
2c480 | 00 56 16 1c 67 2b 72 ed 2b 40 00 00 d0 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..g+r.+@....warnings.......fin |
2c4a0 | 67 65 72 70 72 69 6e 74 73 00 24 08 00 00 04 4d 50 32 44 00 19 08 00 00 02 30 00 0f 00 00 00 38 | gerprints.$....MP2D......0.....8 |
2c4c0 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | ;1-1-3;2-2-3;..1.....3;1-2-3;1-1 |
2c4e0 | 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | -8;2-2-3;2-1-19;..2.....3;1-2-3; |
2c500 | 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d | 2-3-3;2-1-8;..3.....3;1-3-3;2-4- |
2c520 | 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 35 00 16 00 00 00 | 3;..4.....3;1-2-3;2-3-3;..5..... |
2c540 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 36 00 22 00 00 00 33 3b 31 | 3;1-2-3;2-2-3;2-1-19;..6."...3;1 |
2c560 | 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 | -2-3;1-1-19;2-2-3;2-1-6;2-1-8;.. |
2c580 | 37 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 | 7.....19;1-1-3;1-1-6;2-1-2;2-2-3 |
2c5a0 | 3b 00 02 38 00 1c 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 32 3b 32 2d | ;..8.....6;1-1-2;1-1-19;2-2-2;2- |
2c5c0 | 31 2d 33 3b 00 02 39 00 2f 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b | 1-3;..9./...2;1-2-2;1-1-6;2-1-2; |
2c5e0 | 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 27 | 2-1-3;2-1-9;2-1-10;2-1-19;..10.' |
2c600 | 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 32 | ...2;1-1-2;1-1-3;1-1-9;2-1-2;2-2 |
2c620 | 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 31 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b | -3;2-1-6;..11.....9;1-1-2;2-1-2; |
2c640 | 32 2d 31 2d 33 3b 00 02 31 32 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 | 2-1-3;..12.(...3;1-1-2;1-2-3;2-2 |
2c660 | 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 1c 00 00 00 33 | -2;2-2-3;2-1-9;2-1-19;..13.....3 |
2c680 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 34 00 10 | ;1-2-3;1-1-19;2-1-2;2-2-3;..14.. |
2c6a0 | 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 1d 00 00 00 33 3b 31 2d 32 | ...19;1-1-3;2-2-3;..15.....3;1-2 |
2c6c0 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 39 3b 00 02 31 36 00 22 00 00 00 | -3;2-2-3;2-1-10;2-1-19;..16."... |
2c6e0 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 | 3;1-2-3;1-1-10;2-2-3;2-1-8;2-2-9 |
2c700 | 3b 00 02 31 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d | ;..17.....3;1-2-3;2-1-2;2-2-3;2- |
2c720 | 31 2d 31 30 3b 00 02 31 38 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 1-10;..18.....3;1-1-2;1-2-3;2-2- |
2c740 | 32 3b 32 2d 32 2d 33 3b 00 02 31 39 00 22 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 | 2;2-2-3;..19."...2;1-1-2;1-1-3;2 |
2c760 | 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 32 30 00 2e 00 00 00 32 3b 31 2d 32 | -1-2;2-2-3;2-1-10;..20.....2;1-2 |
2c780 | 2d 32 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d | -2;1-1-10;2-1-2;2-1-3;2-1-6;2-1- |
2c7a0 | 38 3b 32 2d 32 2d 39 3b 00 02 32 31 00 1c 00 00 00 31 30 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b | 8;2-2-9;..21.....10;1-1-2;1-1-8; |
2c7c0 | 31 2d 32 2d 39 3b 32 2d 32 2d 32 3b 00 02 32 32 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d | 1-2-9;2-2-2;..22.....9;1-1-10;2- |
2c7e0 | 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 33 00 1c 00 00 00 39 3b 31 2d 31 2d 31 | 1-2;2-1-8;2-1-9;..23.....9;1-1-1 |
2c800 | 30 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 34 00 16 00 00 00 38 3b 31 | 0;2-1-2;2-1-8;2-1-9;..24.....8;1 |
2c820 | 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 2d 32 2d 39 3b 00 02 32 35 00 1c 00 00 00 31 30 3b 31 2d | -1-10;2-1-2;2-2-9;..25.....10;1- |
2c840 | 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 32 36 00 1c 00 00 00 39 | 1-3;1-1-8;1-2-9;2-2-3;..26.....9 |
2c860 | 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 37 00 1c | ;1-1-10;2-1-3;2-1-8;2-1-9;..27.. |
2c880 | 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 | ...9;1-1-10;2-1-3;2-1-8;2-1-9;.. |
2c8a0 | 32 38 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 02 32 39 | 28.....8;1-1-10;2-1-3;2-2-9;..29 |
2c8c0 | 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 33 30 00 0f 00 00 00 33 3b 31 2d | .....3;1-3-3;2-4-3;..30.....3;1- |
2c8e0 | 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 33 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 2-3;2-3-3;..31.....3;1-2-3;2-2-3 |
2c900 | 3b 32 2d 31 2d 31 39 3b 00 02 33 32 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b | ;2-1-19;..32."...3;1-2-3;1-1-19; |
2c920 | 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 33 33 00 1c 00 00 00 33 3b 31 2d 32 | 2-2-3;2-1-6;2-1-8;..33.....3;1-2 |
2c940 | 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 34 00 15 00 00 00 33 | -3;1-1-8;2-2-3;2-1-19;..34.....3 |
2c960 | 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 35 00 0f 00 00 00 38 3b 31 2d | ;1-2-3;2-3-3;2-1-8;..35.....8;1- |
2c980 | 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 33 36 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d | 1-3;2-2-3;..36.....19;1-1-3;1-1- |
2c9a0 | 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 33 37 00 1c 00 00 00 36 3b 31 2d 31 2d 32 3b 31 | 6;2-1-2;2-2-3;..37.....6;1-1-2;1 |
2c9c0 | 2d 31 2d 31 39 3b 32 2d 32 2d 32 3b 32 2d 31 2d 33 3b 00 02 33 38 00 2f 00 00 00 32 3b 31 2d 32 | -1-19;2-2-2;2-1-3;..38./...2;1-2 |
2c9e0 | 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 | -2;1-1-6;2-1-2;2-1-3;2-1-9;2-1-1 |
2ca00 | 30 3b 32 2d 31 2d 31 39 3b 00 02 33 39 00 27 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b | 0;2-1-19;..39.'...2;1-1-2;1-1-3; |
2ca20 | 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 34 30 00 15 00 00 | 1-1-9;2-1-2;2-2-3;2-1-6;..40.... |
2ca40 | 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 34 31 00 28 00 00 00 33 3b | .9;1-1-2;2-1-2;2-1-3;..41.(...3; |
2ca60 | 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d | 1-1-2;1-2-3;2-2-2;2-2-3;2-1-9;2- |
2ca80 | 31 2d 31 39 3b 00 02 34 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 | 1-19;..42.....3;1-2-3;1-1-19;2-1 |
2caa0 | 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 33 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | -2;2-2-3;..43.....19;1-1-3;2-2-3 |
2cac0 | 3b 00 02 34 34 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 32 | ;..44.....3;1-2-3;2-2-3;2-1-10;2 |
2cae0 | 2d 31 2d 31 39 3b 00 02 34 35 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d | -1-19;..45."...3;1-2-3;1-1-10;2- |
2cb00 | 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 34 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-1-8;2-2-9;..46.....3;1-2-3 |
2cb20 | 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 34 37 00 1b 00 00 00 33 3b 31 | ;2-1-2;2-2-3;2-1-10;..47.....3;1 |
2cb40 | 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 38 00 22 00 00 00 | -1-2;1-2-3;2-2-2;2-2-3;..48."... |
2cb60 | 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 | 2;1-1-2;1-1-3;2-1-2;2-2-3;2-1-10 |
2cb80 | 3b 00 02 34 39 00 2e 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 | ;..49.....2;1-2-2;1-1-10;2-1-2;2 |
2cba0 | 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 35 30 00 1c 00 00 00 | -1-3;2-1-6;2-1-8;2-2-9;..50..... |
2cbc0 | 31 30 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 32 3b 00 02 35 31 00 | 10;1-1-2;1-1-8;1-2-9;2-2-2;..51. |
2cbe0 | 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 | ....9;1-1-10;2-1-2;2-1-8;2-1-9;. |
2cc00 | 02 35 32 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 | .52.....9;1-1-10;2-1-2;2-1-8;2-1 |
2cc20 | 2d 39 3b 00 02 35 33 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 2d 32 2d 39 | -9;..53.....8;1-1-10;2-1-2;2-2-9 |
2cc40 | 3b 00 02 35 34 00 1c 00 00 00 31 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 | ;..54.....10;1-1-3;1-1-8;1-2-9;2 |
2cc60 | 2d 32 2d 33 3b 00 02 35 35 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 | -2-3;..55.....9;1-1-10;2-1-3;2-1 |
2cc80 | 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 36 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 | -8;2-1-9;..56.....9;1-1-10;2-1-3 |
2cca0 | 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 37 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 | ;2-1-8;2-1-9;..57.....8;1-1-10;2 |
2ccc0 | 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 77 00 00 00 4f 63 31 63 63 28 | -1-3;2-2-9;....smiles.w...Oc1cc( |
2cce0 | 63 63 63 31 4e 4e 3d 43 31 43 28 3d 4f 29 63 32 63 28 4e 29 63 63 28 63 63 32 43 3d 43 31 53 28 | ccc1NN=C1C(=O)c2c(N)cc(cc2C=C1S( |
2cd00 | 3d 4f 29 28 3d 4f 29 4f 29 53 28 3d 4f 29 28 3d 4f 29 4f 29 63 31 63 63 63 28 63 28 63 31 29 4f | =O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)O |
2cd20 | 29 4e 4e 3d 43 31 43 28 3d 4f 29 63 32 63 28 4e 29 63 63 28 63 63 32 43 3d 43 31 53 28 3d 4f 29 | )NN=C1C(=O)c2c(N)cc(cc2C=C1S(=O) |
2cd40 | 28 3d 4f 29 4f 29 53 28 3d 4f 29 28 3d 4f 29 4f 00 02 69 6e 63 68 69 00 1b 01 00 00 49 6e 43 68 | (=O)O)S(=O)(=O)O..inchi.....InCh |
2cd60 | 49 3d 31 53 2f 43 33 32 48 32 34 4e 36 4f 31 36 53 34 2f 63 33 33 2d 31 39 2d 31 31 2d 31 37 28 | I=1S/C32H24N6O16S4/c33-19-11-17( |
2cd80 | 35 35 28 34 33 2c 34 34 29 34 35 29 35 2d 31 35 2d 39 2d 32 35 28 35 37 28 34 39 2c 35 30 29 35 | 55(43,44)45)5-15-9-25(57(49,50)5 |
2cda0 | 31 29 32 39 28 33 31 28 34 31 29 32 37 28 31 35 29 31 39 29 33 37 2d 33 35 2d 32 31 2d 33 2d 31 | 1)29(31(41)27(15)19)37-35-21-3-1 |
2cdc0 | 2d 31 33 28 37 2d 32 33 28 32 31 29 33 39 29 31 34 2d 32 2d 34 2d 32 32 28 32 34 28 34 30 29 38 | -13(7-23(21)39)14-2-4-22(24(40)8 |
2cde0 | 2d 31 34 29 33 36 2d 33 38 2d 33 30 2d 32 36 28 35 38 28 35 32 2c 35 33 29 35 34 29 31 30 2d 31 | -14)36-38-30-26(58(52,53)54)10-1 |
2ce00 | 36 2d 36 2d 31 38 28 35 36 28 34 36 2c 34 37 29 34 38 29 31 32 2d 32 30 28 33 34 29 32 38 28 31 | 6-6-18(56(46,47)48)12-20(34)28(1 |
2ce20 | 36 29 33 32 28 33 30 29 34 32 2f 68 31 2d 31 32 2c 33 35 2d 33 36 2c 33 39 2d 34 30 48 2c 33 33 | 6)32(30)42/h1-12,35-36,39-40H,33 |
2ce40 | 2d 33 34 48 32 2c 28 48 2c 34 33 2c 34 34 2c 34 35 29 28 48 2c 34 36 2c 34 37 2c 34 38 29 28 48 | -34H2,(H,43,44,45)(H,46,47,48)(H |
2ce60 | 2c 34 39 2c 35 30 2c 35 31 29 28 48 2c 35 32 2c 35 33 2c 35 34 29 00 09 75 70 64 61 74 65 64 5f | ,49,50,51)(H,52,53,54)..updated_ |
2ce80 | 61 74 00 25 f3 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 23 f3 5e 46 50 01 00 00 10 | at.%.^FP....created_at.#.^FP.... |
2cea0 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 35 08 | default_fingerprint_size......5. |
2cec0 | 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 d1 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V..g+r.+@....warnings.... |
2cee0 | 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 6a 06 00 00 04 4d 50 32 44 00 5f 06 00 00 02 30 | ...fingerprints.j....MP2D._....0 |
2cf00 | 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 33 | .....1;1-1-1;2-2-1;..1.....1;1-3 |
2cf20 | 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 | -1;2-1-1;..2.....1;1-2-1;2-2-1;2 |
2cf40 | 2d 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 02 33 00 2f 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -1-2;2-1-28;..3./...1;1-1-1;1-1- |
2cf60 | 32 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 | 2;1-1-28;2-2-1;2-1-2;2-1-9;2-1-2 |
2cf80 | 38 3b 00 02 34 00 23 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 | 8;..4.#...2;1-1-1;1-1-9;1-1-28;2 |
2cfa0 | 2d 33 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 35 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d | -3-1;2-1-28;..5.....9;1-1-2;2-1- |
2cfc0 | 31 3b 32 2d 31 2d 32 38 3b 00 02 36 00 1c 00 00 00 32 38 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b | 1;2-1-28;..6.....28;1-2-1;1-1-2; |
2cfe0 | 32 2d 34 2d 31 3b 32 2d 31 2d 39 3b 00 02 37 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 2-4-1;2-1-9;..7.....1;1-1-1;1-1- |
2d000 | 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 38 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 | 28;2-2-1;2-1-2;..8.....1;1-2-1;2 |
2d020 | 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 39 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d | -1-1;2-1-28;..9.....1;1-2-1;2-2- |
2d040 | 31 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 29 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 38 | 1;2-1-28;..10.)...1;1-2-1;1-1-28 |
2d060 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 31 31 00 29 | ;2-2-1;2-1-2;2-2-8;2-1-28;..11.) |
2d080 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 38 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 32 2d | ...1;1-1-1;1-2-8;1-1-28;2-3-1;2- |
2d0a0 | 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 28 00 00 00 32 38 3b 31 2d 32 2d 31 3b 31 2d 31 | 1-2;2-1-28;..12.(...28;1-2-1;1-1 |
2d0c0 | 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 33 00 | -2;2-3-1;2-1-2;2-2-8;2-1-9;..13. |
2d0e0 | 28 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 32 | (...2;1-1-1;1-1-9;1-1-28;2-3-1;2 |
2d100 | 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 31 34 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d | -1-6;2-1-8;..14.....9;1-1-2;2-1- |
2d120 | 31 3b 32 2d 31 2d 32 38 3b 00 02 31 35 00 34 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | 1;2-1-28;..15.4...1;1-1-1;1-1-2; |
2d140 | 31 2d 31 2d 36 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d | 1-1-6;1-1-8;2-3-1;2-1-2;2-1-9;2- |
2d160 | 31 2d 32 38 3b 00 02 31 36 00 28 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d | 1-28;..16.(...8;1-2-1;2-2-1;2-1- |
2d180 | 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 31 37 00 27 00 00 00 36 3b | 2;2-1-6;2-1-8;2-1-28;..17.'...6; |
2d1a0 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d | 1-1-1;1-1-2;2-2-1;2-1-2;2-1-8;2- |
2d1c0 | 31 2d 39 3b 00 02 31 38 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 | 1-9;..18.!...2;1-1-1;1-1-6;1-1-9 |
2d1e0 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 39 00 27 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | ;2-2-1;2-1-2;..19.'...1;1-1-1;1- |
2d200 | 32 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 35 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 32 30 | 2-2;2-1-2;2-1-5;2-1-6;2-1-9;..20 |
2d220 | 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 | .....1;1-1-1;1-1-5;2-2-1;2-2-2;. |
2d240 | 02 32 31 00 15 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 32 | .21.....5;1-3-1;2-2-1;2-1-2;..22 |
2d260 | 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 32 33 00 27 00 00 00 31 3b 31 2d | .....1;1-1-5;2-2-1;..23.'...1;1- |
2d280 | 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d | 1-1;1-1-2;1-1-5;2-2-1;2-1-2;2-2- |
2d2a0 | 33 3b 00 02 32 34 00 27 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 | 3;..24.'...2;1-1-1;1-1-2;1-1-3;2 |
2d2c0 | 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 00 02 32 35 00 21 00 00 00 32 3b 31 2d 31 2d | -2-1;2-2-3;2-1-5;..25.!...2;1-1- |
2d2e0 | 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 32 36 00 21 | 1;1-1-2;2-2-1;2-1-2;2-1-3;..26.! |
2d300 | 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 33 | ...3;1-1-2;1-2-3;2-1-1;2-1-2;2-3 |
2d320 | 2d 33 3b 00 02 32 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b | -3;..27.....3;1-2-3;2-1-2;2-2-3; |
2d340 | 00 02 32 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 39 00 16 00 00 00 | ..28.....3;1-2-3;2-2-3;..29..... |
2d360 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 33 30 00 1d 00 00 00 33 3b | 3;1-2-3;2-2-3;2-1-11;..30.....3; |
2d380 | 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 33 31 00 22 | 1-2-3;1-1-11;2-4-3;2-1-13;..31." |
2d3a0 | 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 32 2d 31 | ...3;1-3-3;2-1-1;2-1-2;2-3-3;2-1 |
2d3c0 | 2d 31 31 3b 00 02 33 32 00 29 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 | -11;..32.)...3;1-1-1;1-2-3;2-1-1 |
2d3e0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 34 3b 00 02 33 33 00 21 00 00 00 31 3b | ;2-2-3;2-1-11;2-1-14;..33.!...1; |
2d400 | 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 00 02 | 1-1-1;1-1-3;2-1-2;2-2-3;2-1-5;.. |
2d420 | 33 34 00 2a 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 34 3b 32 2d 31 | 34.*...3;1-1-3;1-1-11;1-1-14;2-1 |
2d440 | 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 33 35 00 1e 00 00 00 31 31 3b 31 2d 32 2d | -1;2-2-3;2-1-13;..35.....11;1-2- |
2d460 | 33 3b 31 2d 31 2d 31 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 34 3b 00 02 33 36 00 11 00 00 00 31 | 3;1-1-13;2-3-3;2-1-14;..36.....1 |
2d480 | 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 33 37 00 17 00 00 00 31 34 3b 31 2d 31 2d 33 | 3;1-1-11;2-2-3;..37.....14;1-1-3 |
2d4a0 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 33 38 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 | ;2-1-3;2-1-11;..38.....9;1-1-2;2 |
2d4c0 | 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 33 39 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 2d | -1-1;2-1-6;..39.....1;1-3-1;2-1- |
2d4e0 | 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 34 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 | 2;2-1-6;2-1-8;..40.....1;1-1-1;2 |
2d500 | 2d 32 2d 31 3b 00 02 34 31 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 34 32 | -2-1;..41.....1;1-1-1;2-2-1;..42 |
2d520 | 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b | .....8;1-1-1;2-1-1;2-1-8;2-1-28; |
2d540 | 00 02 34 33 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 | ..43.....1;1-1-1;2-2-1;....smile |
2d560 | 73 00 5a 00 00 00 43 43 28 43 43 31 43 28 3d 4f 29 4e 32 43 43 43 43 32 43 32 28 4e 31 43 28 3d | s.Z...CC(CC1C(=O)N2CCCC2C2(N1C(= |
2d580 | 4f 29 43 28 4f 32 29 28 4e 3d 43 28 43 31 43 4e 28 43 29 43 32 43 28 3d 43 31 29 63 31 63 63 63 | O)C(O2)(N=C(C1CN(C)C2C(=C1)c1ccc |
2d5a0 | 63 33 63 31 63 28 43 32 29 63 28 5b 6e 48 5d 33 29 42 72 29 4f 29 43 28 43 29 43 29 4f 29 43 00 | c3c1c(C2)c([nH]3)Br)O)C(C)C)O)C. |
2d5c0 | 02 69 6e 63 68 69 00 e1 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 32 48 34 30 42 72 4e 35 4f 35 | .inchi.....InChI=1S/C32H40BrN5O5 |
2d5e0 | 2f 63 31 2d 31 36 28 32 29 31 32 2d 32 34 2d 32 39 28 34 30 29 33 37 2d 31 31 2d 37 2d 31 30 2d | /c1-16(2)12-24-29(40)37-11-7-10- |
2d600 | 32 35 28 33 37 29 33 32 28 34 32 29 33 38 28 32 34 29 33 30 28 34 31 29 33 31 28 34 33 2d 33 32 | 25(37)32(42)38(24)30(41)31(43-32 |
2d620 | 2c 31 37 28 33 29 34 29 33 35 2d 32 38 28 33 39 29 31 38 2d 31 33 2d 32 30 2d 31 39 2d 38 2d 36 | ,17(3)4)35-28(39)18-13-20-19-8-6 |
2d640 | 2d 39 2d 32 32 2d 32 36 28 31 39 29 32 31 28 32 37 28 33 33 29 33 34 2d 32 32 29 31 34 2d 32 33 | -9-22-26(19)21(27(33)34-22)14-23 |
2d660 | 28 32 30 29 33 36 28 35 29 31 35 2d 31 38 2f 68 36 2c 38 2d 39 2c 31 33 2c 31 36 2d 31 38 2c 32 | (20)36(5)15-18/h6,8-9,13,16-18,2 |
2d680 | 33 2d 32 35 2c 33 34 2c 34 32 48 2c 37 2c 31 30 2d 31 32 2c 31 34 2d 31 35 48 32 2c 31 2d 35 48 | 3-25,34,42H,7,10-12,14-15H2,1-5H |
2d6a0 | 33 2c 28 48 2c 33 35 2c 33 39 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 2f f3 5e 46 50 01 00 00 | 3,(H,35,39)..updated_at./.^FP... |
2d6c0 | 09 63 72 65 61 74 65 64 5f 61 74 00 2e f3 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at...^FP....default_fin |
2d6e0 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 9b 07 00 00 07 5f 69 64 00 56 16 1c 67 | gerprint_size..........._id.V..g |
2d700 | 2b 72 ed 2b 40 00 00 d2 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.+@....warnings.......fingerpr |
2d720 | 69 6e 74 73 00 df 05 00 00 04 4d 50 32 44 00 d4 05 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d | ints......MP2D......0.....1;1-1- |
2d740 | 38 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d | 8;2-1-3;..1.....8;1-1-1;1-1-3;2- |
2d760 | 32 2d 33 3b 00 02 32 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b | 2-3;..2.....3;1-2-3;1-1-8;2-1-1; |
2d780 | 32 2d 32 2d 33 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 2-2-3;..3.....3;1-2-3;2-2-3;2-1- |
2d7a0 | 38 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 35 00 1c 00 00 00 | 8;..4.....3;1-2-3;2-3-3;..5..... |
2d7c0 | 33 3b 31 2d 33 2d 33 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 36 00 1d | 3;1-3-3;2-1-1;2-3-3;2-1-11;..6.. |
2d7e0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 33 3b 00 | ...3;1-2-3;1-1-11;2-4-3;2-1-13;. |
2d800 | 02 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 | .7.....3;1-2-3;2-2-3;2-1-8;2-1-1 |
2d820 | 31 3b 00 02 38 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 31 2d 31 3b | 1;..8.....11;1-2-3;1-1-13;2-1-1; |
2d840 | 32 2d 33 2d 33 3b 00 02 39 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 | 2-3-3;..9.....13;1-1-11;2-2-3;.. |
2d860 | 31 30 00 2f 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d | 10./...3;1-1-1;1-1-3;1-1-11;2-2- |
2d880 | 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 32 2d 31 2d 31 33 3b 00 02 31 31 00 22 00 00 00 33 3b | 1;2-2-3;2-1-5;2-1-13;..11."...3; |
2d8a0 | 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 | 1-1-1;1-2-3;2-2-1;2-2-3;2-1-11;. |
2d8c0 | 02 31 32 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | .12.....1;1-1-1;1-1-3;2-2-3;2-1- |
2d8e0 | 35 3b 00 02 31 33 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 | 5;..13.....1;1-1-1;1-1-5;2-2-1;2 |
2d900 | 2d 31 2d 33 3b 00 02 31 34 00 15 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d | -1-3;..14.....5;1-3-1;2-3-1;2-1- |
2d920 | 33 3b 00 02 31 35 00 28 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 35 3b 32 | 3;..15.(...1;1-1-1;1-1-3;1-1-5;2 |
2d940 | 2d 33 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 36 00 1b 00 00 00 31 3b 31 2d 32 | -3-1;2-1-3;2-1-11;..16.....1;1-2 |
2d960 | 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 35 3b 00 02 31 37 00 15 00 00 00 31 3b | -1;2-2-1;2-1-3;2-1-5;..17.....1; |
2d980 | 31 2d 33 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 38 00 15 00 00 00 31 3b 31 2d 33 | 1-3-1;2-4-1;2-1-2;..18.....1;1-3 |
2d9a0 | 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 39 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b | -1;2-3-1;2-1-5;..19.....1;1-1-1; |
2d9c0 | 31 2d 31 2d 35 3b 32 2d 34 2d 31 3b 00 02 32 30 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 | 1-1-5;2-4-1;..20.....1;1-2-1;2-3 |
2d9e0 | 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 31 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b | -1;2-1-8;..21.!...1;1-2-1;1-1-8; |
2da00 | 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 32 00 21 00 00 00 31 3b 31 2d 32 | 2-2-1;2-1-2;2-1-8;..22.!...1;1-2 |
2da20 | 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 33 00 | -1;1-1-8;2-3-1;2-1-2;2-1-8;..23. |
2da40 | 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 32 2d 38 3b 32 2d | !...1;1-2-1;1-1-2;2-3-1;2-2-8;2- |
2da60 | 31 2d 39 3b 00 02 32 34 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 | 1-9;..24.....2;1-1-1;1-1-8;1-1-9 |
2da80 | 3b 32 2d 33 2d 31 3b 00 02 32 35 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d | ;2-3-1;..25.....9;1-1-2;2-1-1;2- |
2daa0 | 31 2d 38 3b 00 02 32 36 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 | 1-8;..26.....8;1-1-1;1-1-2;2-1-1 |
2dac0 | 3b 32 2d 31 2d 39 3b 00 02 32 37 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 | ;2-1-9;..27.....1;1-1-8;2-1-2;.. |
2dae0 | 32 38 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 39 00 0f 00 00 00 31 3b | 28.....8;1-2-1;2-2-1;..29.....1; |
2db00 | 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 00 02 33 30 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 | 1-1-8;2-1-1;..30.!...8;1-1-1;1-1 |
2db20 | 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 31 00 21 00 00 00 32 3b | -2;2-2-1;2-1-3;2-1-9;..31.!...2; |
2db40 | 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 | 1-1-3;1-1-8;1-1-9;2-1-1;2-2-3;.. |
2db60 | 33 32 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 33 00 | 32.....9;1-1-2;2-1-3;2-1-8;..33. |
2db80 | 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d | !...3;1-1-2;1-2-3;2-2-3;2-1-8;2- |
2dba0 | 31 2d 39 3b 00 02 33 34 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 | 1-9;..34.....3;1-2-3;2-1-2;2-2-3 |
2dbc0 | 3b 32 2d 31 2d 38 3b 00 02 33 35 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d | ;2-1-8;..35.!...3;1-2-3;1-1-8;2- |
2dbe0 | 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 36 00 15 00 00 00 38 3b 31 2d 31 2d 31 | 1-1;2-2-3;2-1-8;..36.....8;1-1-1 |
2dc00 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 33 37 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d | ;1-1-3;2-2-3;..37.....1;1-1-8;2- |
2dc20 | 31 2d 33 3b 00 02 33 38 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 | 1-3;..38.!...3;1-2-3;1-1-8;2-1-1 |
2dc40 | 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b 00 02 33 39 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | ;2-2-3;2-2-8;..39.!...3;1-2-3;1- |
2dc60 | 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 30 00 1b 00 00 00 33 | 1-8;2-1-1;2-2-3;2-1-8;..40.....3 |
2dc80 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 31 00 15 00 | ;1-2-3;2-1-2;2-2-3;2-1-8;..41... |
2dca0 | 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 34 32 00 0f 00 00 00 31 | ..8;1-1-1;1-1-3;2-2-3;..42.....1 |
2dcc0 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 34 33 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d | ;1-1-8;2-1-3;..43.....8;1-1-1;1- |
2dce0 | 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 34 34 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 | 1-3;2-2-3;..44.....1;1-1-8;2-1-3 |
2dd00 | 3b 00 00 00 02 73 6d 69 6c 65 73 00 50 00 00 00 43 4f 63 31 63 63 63 32 63 28 63 31 29 5b 6e 48 | ;....smiles.P...COc1ccc2c(c1)[nH |
2dd20 | 5d 63 31 63 32 43 43 4e 32 43 31 43 43 31 43 28 43 32 29 43 43 28 43 28 43 31 43 28 3d 4f 29 4f | ]c1c2CCN2C1CC1C(C2)CC(C(C1C(=O)O |
2dd40 | 43 29 4f 43 29 4f 43 28 3d 4f 29 63 31 63 63 28 4f 43 29 63 28 63 28 63 31 29 4f 43 29 4f 43 00 | C)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC. |
2dd60 | 02 69 6e 63 68 69 00 dc 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 33 48 34 30 4e 32 4f 39 2f 63 | .inchi.....InChI=1S/C33H40N2O9/c |
2dd80 | 31 2d 33 38 2d 31 39 2d 37 2d 38 2d 32 30 2d 32 31 2d 39 2d 31 30 2d 33 35 2d 31 36 2d 31 38 2d | 1-38-19-7-8-20-21-9-10-35-16-18- |
2dda0 | 31 33 2d 32 37 28 34 34 2d 33 32 28 33 36 29 31 37 2d 31 31 2d 32 35 28 33 39 2d 32 29 33 30 28 | 13-27(44-32(36)17-11-25(39-2)30( |
2ddc0 | 34 31 2d 34 29 32 36 28 31 32 2d 31 37 29 34 30 2d 33 29 33 31 28 34 32 2d 35 29 32 38 28 33 33 | 41-4)26(12-17)40-3)31(42-5)28(33 |
2dde0 | 28 33 37 29 34 33 2d 36 29 32 32 28 31 38 29 31 35 2d 32 34 28 33 35 29 32 39 28 32 31 29 33 34 | (37)43-6)22(18)15-24(35)29(21)34 |
2de00 | 2d 32 33 28 32 30 29 31 34 2d 31 39 2f 68 37 2d 38 2c 31 31 2d 31 32 2c 31 34 2c 31 38 2c 32 32 | -23(20)14-19/h7-8,11-12,14,18,22 |
2de20 | 2c 32 34 2c 32 37 2d 32 38 2c 33 31 2c 33 34 48 2c 39 2d 31 30 2c 31 33 2c 31 35 2d 31 36 48 32 | ,24,27-28,31,34H,9-10,13,15-16H2 |
2de40 | 2c 31 2d 36 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 39 f3 5e 46 50 01 00 00 09 63 72 65 61 | ,1-6H3..updated_at.9.^FP....crea |
2de60 | 74 65 64 5f 61 74 00 38 f3 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at.8.^FP....default_fingerpr |
2de80 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 8a 08 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 | int_size..........._id.V..g+r.+@ |
2dea0 | 00 00 d3 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 | ....warnings.......fingerprints. |
2dec0 | b1 06 00 00 04 4d 50 32 44 00 a6 06 00 00 02 30 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d | .....MP2D......0.....19;1-1-3;2- |
2dee0 | 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 | 2-3;..1.....3;1-2-3;1-1-19;2-2-3 |
2df00 | 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 | ;..2.....3;1-2-3;2-2-3;2-1-19;.. |
2df20 | 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 34 00 22 00 | 3.....3;1-2-3;2-2-3;2-1-6;..4.". |
2df40 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d | ..3;1-2-3;1-1-6;2-2-3;2-1-6;2-1- |
2df60 | 31 39 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b | 19;..5.....3;1-2-3;1-1-19;2-2-3; |
2df80 | 32 2d 31 2d 36 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d | 2-1-6;..6.....3;1-2-3;2-2-3;2-2- |
2dfa0 | 31 39 3b 00 02 37 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 | 19;..7.....19;1-1-3;2-2-3;..8... |
2dfc0 | 00 00 36 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 33 2d 33 3b 00 02 39 00 15 00 00 00 36 3b | ..6;1-1-3;1-1-6;2-3-3;..9.....6; |
2dfe0 | 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 33 2d 33 3b 00 02 31 30 00 1b 00 00 00 33 3b 31 2d 32 | 1-1-3;1-1-6;2-3-3;..10.....3;1-2 |
2e000 | 2d 33 3b 31 2d 31 2d 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 31 00 15 00 00 00 33 3b | -3;1-1-6;2-2-3;2-1-6;..11.....3; |
2e020 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 | 1-2-3;2-2-3;2-1-6;..12.....3;1-2 |
2e040 | 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b | -3;2-3-3;..13.....3;1-3-3;2-4-3; |
2e060 | 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 35 00 15 00 00 00 | ..14.....3;1-2-3;2-3-3;..15..... |
2e080 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 36 00 0f 00 00 00 33 3b 31 | 3;1-2-3;2-2-3;2-1-6;..16.....3;1 |
2e0a0 | 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d | -3-3;2-4-3;..17.....3;1-2-3;2-3- |
2e0c0 | 33 3b 00 02 31 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 | 3;..18.....3;1-2-3;2-2-3;2-1-6;. |
2e0e0 | 02 31 39 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d | .19.....3;1-2-3;1-1-6;2-2-3;2-1- |
2e100 | 36 3b 00 02 32 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 | 6;..20.....3;1-2-3;2-2-3;2-1-6;. |
2e120 | 02 32 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 32 32 00 15 00 00 00 36 | .21.....3;1-2-3;2-3-3;..22.....6 |
2e140 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 33 2d 33 3b 00 02 32 33 00 15 00 00 00 36 3b 31 2d | ;1-1-3;1-1-6;2-3-3;..23.....6;1- |
2e160 | 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 33 2d 33 3b 00 02 32 34 00 29 00 00 00 33 3b 31 2d 32 2d 33 | 1-3;1-1-6;2-3-3;..24.)...3;1-2-3 |
2e180 | 3b 31 2d 31 2d 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 39 | ;1-1-6;2-2-3;2-1-6;2-1-10;2-1-19 |
2e1a0 | 3b 00 02 32 35 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 | ;..25."...3;1-2-3;1-1-19;2-1-2;2 |
2e1c0 | 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 32 36 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 | -2-3;2-1-6;..26.....19;1-1-3;2-2 |
2e1e0 | 2d 33 3b 00 02 32 37 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 32 3b | -3;..27.(...3;1-1-2;1-2-3;2-2-2; |
2e200 | 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 32 38 00 1b 00 00 00 33 3b 31 2d | 2-2-3;2-1-9;2-1-19;..28.....3;1- |
2e220 | 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 39 00 1c 00 00 00 33 | 1-2;1-2-3;2-2-2;2-2-3;..29.....3 |
2e240 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 33 30 00 28 | ;1-2-3;2-1-2;2-2-3;2-1-10;..30.( |
2e260 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d | ...3;1-2-3;1-1-10;2-2-3;2-1-6;2- |
2e280 | 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 33 31 00 1c 00 00 00 31 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d | 1-8;2-2-9;..31.....10;1-1-3;1-1- |
2e2a0 | 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 33 32 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b | 8;1-2-9;2-2-3;..32.....9;1-1-10; |
2e2c0 | 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 33 33 00 1c 00 00 00 39 3b 31 2d 31 | 2-1-3;2-1-8;2-1-9;..33.....9;1-1 |
2e2e0 | 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 33 34 00 16 00 00 00 38 | -10;2-1-3;2-1-8;2-1-9;..34.....8 |
2e300 | 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 02 33 35 00 22 00 00 00 32 3b 31 | ;1-1-10;2-1-3;2-2-9;..35."...2;1 |
2e320 | 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 | -1-2;1-1-3;2-1-2;2-2-3;2-1-10;.. |
2e340 | 33 36 00 2e 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 2d 31 2d | 36.....2;1-2-2;1-1-10;2-1-2;2-1- |
2e360 | 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 33 37 00 2f 00 00 00 32 3b 31 | 3;2-1-6;2-1-8;2-2-9;..37./...2;1 |
2e380 | 2d 32 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 | -2-2;1-1-6;2-1-2;2-1-3;2-1-9;2-1 |
2e3a0 | 2d 31 30 3b 32 2d 31 2d 31 39 3b 00 02 33 38 00 1c 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d | -10;2-1-19;..38.....6;1-1-2;1-1- |
2e3c0 | 31 39 3b 32 2d 32 2d 32 3b 32 2d 31 2d 33 3b 00 02 33 39 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 | 19;2-2-2;2-1-3;..39.....19;1-1-3 |
2e3e0 | 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 30 00 1c 00 00 00 33 3b 31 2d | ;1-1-6;2-1-2;2-2-3;..40.....3;1- |
2e400 | 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 34 31 00 16 00 00 00 | 2-3;1-1-19;2-2-3;2-1-6;..41..... |
2e420 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 34 32 00 0f 00 00 00 33 3b | 3;1-2-3;2-2-3;2-1-19;..42.....3; |
2e440 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 34 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 1-2-3;2-2-3;..43.....3;1-2-3;2-2 |
2e460 | 2d 33 3b 00 02 34 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 34 35 00 16 | -3;..44.....3;1-2-3;2-2-3;..45.. |
2e480 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 34 36 00 27 00 00 | ...3;1-2-3;2-2-3;2-1-19;..46.'.. |
2e4a0 | 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 | .2;1-1-2;1-1-3;1-1-9;2-1-2;2-2-3 |
2e4c0 | 3b 32 2d 31 2d 36 3b 00 02 34 37 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d | ;2-1-6;..47.....9;1-1-2;2-1-2;2- |
2e4e0 | 31 2d 33 3b 00 02 34 38 00 1c 00 00 00 31 30 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 31 2d 32 2d | 1-3;..48.....10;1-1-2;1-1-8;1-2- |
2e500 | 39 3b 32 2d 32 2d 32 3b 00 02 34 39 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b | 9;2-2-2;..49.....9;1-1-10;2-1-2; |
2e520 | 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 30 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d | 2-1-8;2-1-9;..50.....9;1-1-10;2- |
2e540 | 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 31 00 16 00 00 00 38 3b 31 2d 31 2d 31 | 1-2;2-1-8;2-1-9;..51.....8;1-1-1 |
2e560 | 30 3b 32 2d 31 2d 32 3b 32 2d 32 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 62 00 00 00 4e 63 31 | 0;2-1-2;2-2-9;....smiles.b...Nc1 |
2e580 | 63 63 63 28 63 28 63 31 29 4e 29 4e 3d 4e 63 31 63 63 63 28 63 63 31 29 63 31 63 63 63 28 63 63 | ccc(c(c1)N)N=Nc1ccc(cc1)c1ccc(cc |
2e5a0 | 31 29 4e 3d 4e 63 31 63 28 4e 29 63 32 63 28 63 63 31 53 28 3d 4f 29 28 3d 4f 29 4f 29 43 3d 43 | 1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)C=C |
2e5c0 | 28 43 28 3d 4e 4e 63 31 63 63 63 63 63 31 29 43 32 3d 4f 29 53 28 3d 4f 29 28 3d 4f 29 4f 00 02 | (C(=NNc1ccccc1)C2=O)S(=O)(=O)O.. |
2e5e0 | 69 6e 63 68 69 00 e7 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 34 48 32 37 4e 39 4f 37 53 32 2f | inchi.....InChI=1S/C34H27N9O7S2/ |
2e600 | 63 33 35 2d 32 32 2d 31 30 2d 31 35 2d 32 37 28 32 36 28 33 36 29 31 38 2d 32 32 29 34 31 2d 33 | c35-22-10-15-27(26(36)18-22)41-3 |
2e620 | 38 2d 32 34 2d 31 31 2d 36 2d 31 39 28 37 2d 31 32 2d 32 34 29 32 30 2d 38 2d 31 33 2d 32 35 28 | 8-24-11-6-19(7-12-24)20-8-13-25( |
2e640 | 31 34 2d 39 2d 32 30 29 34 30 2d 34 32 2d 33 32 2d 32 38 28 35 31 28 34 35 2c 34 36 29 34 37 29 | 14-9-20)40-42-32-28(51(45,46)47) |
2e660 | 31 36 2d 32 31 2d 31 37 2d 32 39 28 35 32 28 34 38 2c 34 39 29 35 30 29 33 33 28 33 34 28 34 34 | 16-21-17-29(52(48,49)50)33(34(44 |
2e680 | 29 33 30 28 32 31 29 33 31 28 33 32 29 33 37 29 34 33 2d 33 39 2d 32 33 2d 34 2d 32 2d 31 2d 33 | )30(21)31(32)37)43-39-23-4-2-1-3 |
2e6a0 | 2d 35 2d 32 33 2f 68 31 2d 31 38 2c 33 39 48 2c 33 35 2d 33 37 48 32 2c 28 48 2c 34 35 2c 34 36 | -5-23/h1-18,39H,35-37H2,(H,45,46 |
2e6c0 | 2c 34 37 29 28 48 2c 34 38 2c 34 39 2c 35 30 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 45 f3 5e | ,47)(H,48,49,50)..updated_at.E.^ |
2e6e0 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 43 f3 5e 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at.C.^FP....defaul |
2e700 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 94 0a 00 00 07 5f 69 64 | t_fingerprint_size..........._id |
2e720 | 00 56 16 1c 67 2b 72 ed 2b 40 00 00 d4 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..g+r.+@....warnings.......fin |
2e740 | 67 65 72 70 72 69 6e 74 73 00 6a 08 00 00 04 4d 50 32 44 00 5f 08 00 00 02 30 00 0f 00 00 00 31 | gerprints.j....MP2D._....0.....1 |
2e760 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 | ;1-1-8;2-1-3;..1.....8;1-1-1;1-1 |
2e780 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 | -3;2-2-3;..2."...3;1-2-3;1-1-8;2 |
2e7a0 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d | -1-1;2-2-3;2-1-19;..3.....3;1-2- |
2e7c0 | 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d | 3;2-3-3;2-1-8;..4.....3;1-3-3;2- |
2e7e0 | 34 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 36 00 16 00 | 4-3;..5.....3;1-2-3;2-3-3;..6... |
2e800 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 22 00 00 00 33 | ..3;1-2-3;2-2-3;2-1-19;..7."...3 |
2e820 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b | ;1-2-3;1-1-19;2-2-3;2-1-6;2-1-8; |
2e840 | 00 02 38 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 32 | ..8.....19;1-1-3;1-1-6;2-1-2;2-2 |
2e860 | 2d 33 3b 00 02 39 00 1c 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 32 3b | -3;..9.....6;1-1-2;1-1-19;2-2-2; |
2e880 | 32 2d 31 2d 33 3b 00 02 31 30 00 2f 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 | 2-1-3;..10./...2;1-2-2;1-1-6;2-1 |
2e8a0 | 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 39 3b 00 02 31 | -2;2-1-3;2-1-9;2-1-10;2-1-19;..1 |
2e8c0 | 31 00 27 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b | 1.'...2;1-1-2;1-1-3;1-1-9;2-1-2; |
2e8e0 | 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 32 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 | 2-2-3;2-1-6;..12.....9;1-1-2;2-1 |
2e900 | 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 33 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b | -2;2-1-3;..13.(...3;1-1-2;1-2-3; |
2e920 | 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 34 00 1c 00 | 2-2-2;2-2-3;2-1-9;2-1-19;..14... |
2e940 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 | ..3;1-2-3;1-1-19;2-1-2;2-2-3;..1 |
2e960 | 35 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 1d 00 00 00 33 3b | 5.....19;1-1-3;2-2-3;..16.....3; |
2e980 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 39 3b 00 02 31 37 00 22 | 1-2-3;2-2-3;2-1-10;2-1-19;..17." |
2e9a0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d | ...3;1-2-3;1-1-10;2-2-3;2-1-8;2- |
2e9c0 | 32 2d 39 3b 00 02 31 38 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 | 2-9;..18.....3;1-2-3;2-1-2;2-2-3 |
2e9e0 | 3b 32 2d 31 2d 31 30 3b 00 02 31 39 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 | ;2-1-10;..19.....3;1-1-2;1-2-3;2 |
2ea00 | 2d 32 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 30 00 22 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d | -2-2;2-2-3;..20."...2;1-1-2;1-1- |
2ea20 | 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 32 31 00 2e 00 00 00 32 3b | 3;2-1-2;2-2-3;2-1-10;..21.....2; |
2ea40 | 31 2d 32 2d 32 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 | 1-2-2;1-1-10;2-1-2;2-1-3;2-1-6;2 |
2ea60 | 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 32 32 00 1c 00 00 00 31 30 3b 31 2d 31 2d 32 3b 31 2d 31 | -1-8;2-2-9;..22.....10;1-1-2;1-1 |
2ea80 | 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 32 3b 00 02 32 33 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 | -8;1-2-9;2-2-2;..23.....9;1-1-10 |
2eaa0 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 34 00 1c 00 00 00 39 3b 31 2d | ;2-1-2;2-1-8;2-1-9;..24.....9;1- |
2eac0 | 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 35 00 16 00 00 00 | 1-10;2-1-2;2-1-8;2-1-9;..25..... |
2eae0 | 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 2d 32 2d 39 3b 00 02 32 36 00 1c 00 00 00 31 30 | 8;1-1-10;2-1-2;2-2-9;..26.....10 |
2eb00 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 32 37 00 1c 00 | ;1-1-3;1-1-8;1-2-9;2-2-3;..27... |
2eb20 | 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 | ..9;1-1-10;2-1-3;2-1-8;2-1-9;..2 |
2eb40 | 38 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 | 8.....9;1-1-10;2-1-3;2-1-8;2-1-9 |
2eb60 | 3b 00 02 32 39 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 | ;..29.....8;1-1-10;2-1-3;2-2-9;. |
2eb80 | 02 33 30 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 33 31 00 0f 00 00 00 33 | .30.....3;1-3-3;2-4-3;..31.....3 |
2eba0 | 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 33 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;1-2-3;2-3-3;..32.....3;1-2-3;2- |
2ebc0 | 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 33 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 2-3;2-1-19;..33."...3;1-2-3;1-1- |
2ebe0 | 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 33 34 00 22 00 00 00 33 3b | 19;2-2-3;2-1-6;2-1-8;..34."...3; |
2ec00 | 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 | 1-2-3;1-1-8;2-1-1;2-2-3;2-1-19;. |
2ec20 | 02 33 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 36 | .35.....3;1-2-3;2-3-3;2-1-8;..36 |
2ec40 | 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 33 37 00 0f 00 | .....8;1-1-1;1-1-3;2-2-3;..37... |
2ec60 | 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 33 38 00 1c 00 00 00 31 39 3b 31 2d 31 2d | ..1;1-1-8;2-1-3;..38.....19;1-1- |
2ec80 | 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 33 39 00 1c 00 00 00 36 3b 31 | 3;1-1-6;2-1-2;2-2-3;..39.....6;1 |
2eca0 | 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 32 3b 32 2d 31 2d 33 3b 00 02 34 30 00 2f 00 00 | -1-2;1-1-19;2-2-2;2-1-3;..40./.. |
2ecc0 | 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 | .2;1-2-2;1-1-6;2-1-2;2-1-3;2-1-9 |
2ece0 | 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 39 3b 00 02 34 31 00 27 00 00 00 32 3b 31 2d 31 2d 32 3b | ;2-1-10;2-1-19;..41.'...2;1-1-2; |
2ed00 | 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 | 1-1-3;1-1-9;2-1-2;2-2-3;2-1-6;.. |
2ed20 | 34 32 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 34 33 00 | 42.....9;1-1-2;2-1-2;2-1-3;..43. |
2ed40 | 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 32 2d | (...3;1-1-2;1-2-3;2-2-2;2-2-3;2- |
2ed60 | 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 34 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 1-9;2-1-19;..44.....3;1-2-3;1-1- |
2ed80 | 31 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 35 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 | 19;2-1-2;2-2-3;..45.....19;1-1-3 |
2eda0 | 3b 32 2d 32 2d 33 3b 00 02 34 36 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | ;2-2-3;..46.....3;1-2-3;2-2-3;2- |
2edc0 | 31 2d 31 30 3b 32 2d 31 2d 31 39 3b 00 02 34 37 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | 1-10;2-1-19;..47."...3;1-2-3;1-1 |
2ede0 | 2d 31 30 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 34 38 00 1c 00 00 00 33 | -10;2-2-3;2-1-8;2-2-9;..48.....3 |
2ee00 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 34 39 00 1b | ;1-2-3;2-1-2;2-2-3;2-1-10;..49.. |
2ee20 | 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 00 02 35 | ...3;1-1-2;1-2-3;2-2-2;2-2-3;..5 |
2ee40 | 30 00 22 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b | 0."...2;1-1-2;1-1-3;2-1-2;2-2-3; |
2ee60 | 32 2d 31 2d 31 30 3b 00 02 35 31 00 2e 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 31 30 3b 32 | 2-1-10;..51.....2;1-2-2;1-1-10;2 |
2ee80 | 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 35 | -1-2;2-1-3;2-1-6;2-1-8;2-2-9;..5 |
2eea0 | 32 00 1c 00 00 00 31 30 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 32 | 2.....10;1-1-2;1-1-8;1-2-9;2-2-2 |
2eec0 | 3b 00 02 35 33 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 | ;..53.....9;1-1-10;2-1-2;2-1-8;2 |
2eee0 | 2d 31 2d 39 3b 00 02 35 34 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 2d 31 | -1-9;..54.....9;1-1-10;2-1-2;2-1 |
2ef00 | 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 35 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 | -8;2-1-9;..55.....8;1-1-10;2-1-2 |
2ef20 | 3b 32 2d 32 2d 39 3b 00 02 35 36 00 1c 00 00 00 31 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 | ;2-2-9;..56.....10;1-1-3;1-1-8;1 |
2ef40 | 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 35 37 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 | -2-9;2-2-3;..57.....9;1-1-10;2-1 |
2ef60 | 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 38 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 | -3;2-1-8;2-1-9;..58.....9;1-1-10 |
2ef80 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 39 00 16 00 00 00 38 3b 31 2d | ;2-1-3;2-1-8;2-1-9;..59.....8;1- |
2efa0 | 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 79 00 00 00 | 1-10;2-1-3;2-2-9;....smiles.y... |
2efc0 | 43 4f 63 31 63 63 28 63 63 63 31 4e 4e 3d 43 31 43 28 3d 4f 29 63 32 63 28 4e 29 63 63 28 63 63 | COc1cc(ccc1NN=C1C(=O)c2c(N)cc(cc |
2efe0 | 32 43 3d 43 31 53 28 3d 4f 29 28 3d 4f 29 4f 29 53 28 3d 4f 29 28 3d 4f 29 4f 29 63 31 63 63 63 | 2C=C1S(=O)(=O)O)S(=O)(=O)O)c1ccc |
2f000 | 28 63 28 63 31 29 4f 43 29 4e 4e 3d 43 31 43 28 3d 4f 29 63 32 63 28 4e 29 63 63 28 63 63 32 43 | (c(c1)OC)NN=C1C(=O)c2c(N)cc(cc2C |
2f020 | 3d 43 31 53 28 3d 4f 29 28 3d 4f 29 4f 29 53 28 3d 4f 29 28 3d 4f 29 4f 00 02 69 6e 63 68 69 00 | =C1S(=O)(=O)O)S(=O)(=O)O..inchi. |
2f040 | 21 01 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 34 48 32 38 4e 36 4f 31 36 53 34 2f 63 31 2d 35 35 | !...InChI=1S/C34H28N6O16S4/c1-55 |
2f060 | 2d 32 35 2d 39 2d 31 35 28 33 2d 35 2d 32 33 28 32 35 29 33 37 2d 33 39 2d 33 31 2d 32 37 28 35 | -25-9-15(3-5-23(25)37-39-31-27(5 |
2f080 | 39 28 34 39 2c 35 30 29 35 31 29 31 31 2d 31 37 2d 37 2d 31 39 28 35 37 28 34 33 2c 34 34 29 34 | 9(49,50)51)11-17-7-19(57(43,44)4 |
2f0a0 | 35 29 31 33 2d 32 31 28 33 35 29 32 39 28 31 37 29 33 33 28 33 31 29 34 31 29 31 36 2d 34 2d 36 | 5)13-21(35)29(17)33(31)41)16-4-6 |
2f0c0 | 2d 32 34 28 32 36 28 31 30 2d 31 36 29 35 36 2d 32 29 33 38 2d 34 30 2d 33 32 2d 32 38 28 36 30 | -24(26(10-16)56-2)38-40-32-28(60 |
2f0e0 | 28 35 32 2c 35 33 29 35 34 29 31 32 2d 31 38 2d 38 2d 32 30 28 35 38 28 34 36 2c 34 37 29 34 38 | (52,53)54)12-18-8-20(58(46,47)48 |
2f100 | 29 31 34 2d 32 32 28 33 36 29 33 30 28 31 38 29 33 34 28 33 32 29 34 32 2f 68 33 2d 31 34 2c 33 | )14-22(36)30(18)34(32)42/h3-14,3 |
2f120 | 37 2d 33 38 48 2c 33 35 2d 33 36 48 32 2c 31 2d 32 48 33 2c 28 48 2c 34 33 2c 34 34 2c 34 35 29 | 7-38H,35-36H2,1-2H3,(H,43,44,45) |
2f140 | 28 48 2c 34 36 2c 34 37 2c 34 38 29 28 48 2c 34 39 2c 35 30 2c 35 31 29 28 48 2c 35 32 2c 35 33 | (H,46,47,48)(H,49,50,51)(H,52,53 |
2f160 | 2c 35 34 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 51 f3 5e 46 50 01 00 00 09 63 72 65 61 74 65 | ,54)..updated_at.Q.^FP....create |
2f180 | 64 5f 61 74 00 4f f3 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.O.^FP....default_fingerprin |
2f1a0 | 74 5f 73 69 7a 65 00 00 00 00 00 00 cf 07 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 | t_size..........._id.V..g+r.+@.. |
2f1c0 | d5 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 fe 05 | ..warnings.......fingerprints... |
2f1e0 | 00 00 04 4d 50 32 44 00 f3 05 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 | ...MP2D......0.....1;1-1-1;2-1-1 |
2f200 | 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 00 0f 00 00 00 31 | ;..1.....1;1-2-1;2-1-1;..2.....1 |
2f220 | 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 | ;1-2-1;2-2-1;..3.....1;1-2-1;2-3 |
2f240 | 2d 31 3b 00 02 34 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 | -1;..4.....1;1-3-1;2-2-1;2-1-8;. |
2f260 | 02 35 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 | .5.!...1;1-2-1;1-1-8;2-3-1;2-1-2 |
2f280 | 3b 32 2d 31 2d 38 3b 00 02 36 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 | ;2-1-8;..6.!...1;1-2-1;1-1-8;2-2 |
2f2a0 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 37 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 | -1;2-1-2;2-1-8;..7.....8;1-1-1;1 |
2f2c0 | 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b 00 02 38 00 1b 00 00 00 32 3b 31 2d 31 2d 31 | -1-2;2-3-1;2-1-9;..8.....2;1-1-1 |
2f2e0 | 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 00 02 39 00 15 00 00 00 39 3b 31 2d 31 | ;1-1-8;1-1-9;2-2-1;..9.....9;1-1 |
2f300 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 30 00 27 00 00 00 31 3b 31 2d 31 2d 31 3b | -2;2-1-1;2-1-8;..10.'...1;1-1-1; |
2f320 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 | 1-1-2;2-1-1;2-1-2;2-1-8;2-1-9;.. |
2f340 | 31 31 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 | 11.....1;1-2-1;1-1-2;2-2-2;2-2-3 |
2f360 | 32 3b 00 02 31 32 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 32 2d 31 3b | 2;..12.....2;1-1-1;1-2-32;2-2-1; |
2f380 | 00 02 31 33 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 | ..13.....32;1-1-2;2-1-1;2-1-32;. |
2f3a0 | 02 31 34 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 | .14.....32;1-1-2;2-1-1;2-1-32;.. |
2f3c0 | 31 35 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 | 15."...1;1-1-1;1-1-2;2-1-1;2-1-2 |
2f3e0 | 3b 32 2d 32 2d 33 32 3b 00 02 31 36 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b | ;2-2-32;..16.....2;1-1-1;1-2-32; |
2f400 | 32 2d 31 2d 31 3b 00 02 31 37 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d | 2-1-1;..17.....32;1-1-2;2-1-1;2- |
2f420 | 31 2d 33 32 3b 00 02 31 38 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 | 1-32;..18.....32;1-1-2;2-1-1;2-1 |
2f440 | 2d 33 32 3b 00 02 31 39 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 | -32;..19.....1;1-2-1;2-3-1;2-1-8 |
2f460 | 3b 00 02 32 30 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 31 00 15 00 00 | ;..20.....1;1-3-1;2-2-1;..21.... |
2f480 | 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 32 00 15 00 00 00 31 3b | .1;1-2-1;2-3-1;2-1-8;..22.....1; |
2f4a0 | 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 00 02 32 33 00 15 00 00 00 31 3b 31 2d 32 | 1-2-1;1-1-8;2-2-1;..23.....1;1-2 |
2f4c0 | 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 34 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b | -1;2-2-1;2-1-8;..24.....1;1-2-1; |
2f4e0 | 32 2d 32 2d 31 3b 00 02 32 35 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 | 2-2-1;..25.....1;1-2-1;2-2-1;..2 |
2f500 | 36 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 37 00 15 | 6.....1;1-2-1;2-2-1;2-1-8;..27.. |
2f520 | 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 00 02 32 38 00 15 00 00 00 | ...1;1-2-1;1-1-8;2-2-1;..28..... |
2f540 | 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 32 39 00 1b 00 00 00 31 3b 31 | 1;1-2-1;2-2-1;2-2-8;..29.....1;1 |
2f560 | 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 33 30 00 1b 00 00 00 | -2-1;1-1-8;2-2-1;2-1-5;..30..... |
2f580 | 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 31 00 0f | 1;1-2-1;1-1-5;2-1-1;2-1-8;..31.. |
2f5a0 | 00 00 00 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 32 00 15 00 00 00 31 3b 31 2d 31 2d | ...5;1-1-1;2-2-1;..32.....1;1-1- |
2f5c0 | 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 33 33 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 | 1;2-1-1;2-1-5;..33.....8;1-1-1;2 |
2f5e0 | 2d 32 2d 31 3b 00 02 33 34 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 35 | -2-1;..34.....8;1-1-1;2-2-1;..35 |
2f600 | 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 36 00 0f 00 00 00 31 3b 31 2d | .....8;1-1-1;2-2-1;..36.....1;1- |
2f620 | 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 37 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | 1-1;2-2-1;..37.....8;1-1-1;1-1-2 |
2f640 | 3b 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 38 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d | ;2-3-1;2-1-9;..38.....2;1-1-1;1- |
2f660 | 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 00 02 33 39 00 15 00 00 00 39 3b 31 2d 31 2d 32 | 1-8;1-1-9;2-2-1;..39.....9;1-1-2 |
2f680 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 30 00 27 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | ;2-1-1;2-1-8;..40.'...1;1-1-1;1- |
2f6a0 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 34 31 | 1-2;2-1-1;2-1-2;2-1-8;2-1-9;..41 |
2f6c0 | 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 32 3b | .....1;1-2-1;1-1-2;2-2-2;2-2-32; |
2f6e0 | 00 02 34 32 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 32 2d 31 3b 00 02 | ..42.....2;1-1-1;1-2-32;2-2-1;.. |
2f700 | 34 33 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 34 | 43.....32;1-1-2;2-1-1;2-1-32;..4 |
2f720 | 34 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 34 35 | 4.....32;1-1-2;2-1-1;2-1-32;..45 |
2f740 | 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 | ."...1;1-1-1;1-1-2;2-1-1;2-1-2;2 |
2f760 | 2d 32 2d 33 32 3b 00 02 34 36 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d | -2-32;..46.....2;1-1-1;1-2-32;2- |
2f780 | 31 2d 31 3b 00 02 34 37 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d | 1-1;..47.....32;1-1-2;2-1-1;2-1- |
2f7a0 | 33 32 3b 00 02 34 38 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 | 32;..48.....32;1-1-2;2-1-1;2-1-3 |
2f7c0 | 32 3b 00 02 34 39 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 | 2;..49.....1;1-1-1;2-2-1;....smi |
2f7e0 | 6c 65 73 00 59 00 00 00 43 43 43 43 43 28 43 28 43 28 4f 43 28 3d 4f 29 43 43 28 43 28 3d 4f 29 | les.Y...CCCCC(C(C(OC(=O)CC(C(=O) |
2f800 | 4f 29 43 43 28 3d 4f 29 4f 29 43 43 28 43 43 28 43 43 43 43 43 28 43 43 28 43 28 4e 29 43 29 4f | O)CC(=O)O)CC(CC(CCCCC(CC(C(N)C)O |
2f820 | 29 4f 29 4f 29 43 29 4f 43 28 3d 4f 29 43 43 28 43 28 3d 4f 29 4f 29 43 43 28 3d 4f 29 4f 29 43 | )O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C |
2f840 | 00 02 69 6e 63 68 69 00 e8 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 34 48 35 39 4e 4f 31 35 2f | ..inchi.....InChI=1S/C34H59NO15/ |
2f860 | 63 31 2d 35 2d 36 2d 39 2d 32 30 28 33 29 33 32 28 35 30 2d 33 31 28 34 34 29 31 37 2d 32 33 28 | c1-5-6-9-20(3)32(50-31(44)17-23( |
2f880 | 33 34 28 34 37 29 34 38 29 31 35 2d 32 39 28 34 31 29 34 32 29 32 37 28 34 39 2d 33 30 28 34 33 | 34(47)48)15-29(41)42)27(49-30(43 |
2f8a0 | 29 31 36 2d 32 32 28 33 33 28 34 35 29 34 36 29 31 34 2d 32 38 28 33 39 29 34 30 29 31 33 2d 31 | )16-22(33(45)46)14-28(39)40)13-1 |
2f8c0 | 39 28 32 29 31 32 2d 32 34 28 33 36 29 31 30 2d 37 2d 38 2d 31 31 2d 32 35 28 33 37 29 31 38 2d | 9(2)12-24(36)10-7-8-11-25(37)18- |
2f8e0 | 32 36 28 33 38 29 32 31 28 34 29 33 35 2f 68 31 39 2d 32 37 2c 33 32 2c 33 36 2d 33 38 48 2c 35 | 26(38)21(4)35/h19-27,32,36-38H,5 |
2f900 | 2d 31 38 2c 33 35 48 32 2c 31 2d 34 48 33 2c 28 48 2c 33 39 2c 34 30 29 28 48 2c 34 31 2c 34 32 | -18,35H2,1-4H3,(H,39,40)(H,41,42 |
2f920 | 29 28 48 2c 34 35 2c 34 36 29 28 48 2c 34 37 2c 34 38 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 | )(H,45,46)(H,47,48)..updated_at. |
2f940 | 5a f3 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 58 f3 5e 46 50 01 00 00 10 64 65 66 | Z.^FP....created_at.X.^FP....def |
2f960 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 3e 07 00 00 07 | ault_fingerprint_size......>.... |
2f980 | 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 d6 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..g+r.+@....warnings....... |
2f9a0 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 7c 05 00 00 04 4d 50 32 44 00 71 05 00 00 02 30 00 10 00 | fingerprints.|....MP2D.q....0... |
2f9c0 | 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 17 00 00 00 31 3b 31 2d 31 2d 31 | ..15;1-1-1;2-1-1;..1.....1;1-1-1 |
2f9e0 | 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 39 3b 00 02 32 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | ;1-1-15;2-1-19;..2.#...1;1-1-1;1 |
2fa00 | 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 33 00 1c 00 00 | -1-19;2-1-1;2-1-3;2-1-15;..3.... |
2fa20 | 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 | .19;1-2-1;1-1-3;2-2-1;2-2-3;..4. |
2fa40 | 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 | ....3;1-2-3;1-1-19;2-2-1;2-2-3;. |
2fa60 | 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 36 00 | .5.....3;1-2-3;2-2-3;2-1-19;..6. |
2fa80 | 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 1b 00 00 00 | ....3;1-2-3;2-1-1;2-2-3;..7..... |
2faa0 | 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 | 3;1-1-1;1-2-3;2-1-1;2-2-3;..8... |
2fac0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 16 00 00 00 33 3b | ..3;1-2-3;2-1-1;2-2-3;..9.....3; |
2fae0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 1b 00 00 00 31 3b 31 2d | 1-2-3;2-2-3;2-1-19;..10.....1;1- |
2fb00 | 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 15 00 00 00 31 | 1-1;1-1-3;2-1-1;2-2-3;..11.....1 |
2fb20 | 3b 31 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 32 00 21 00 00 00 31 3b 31 2d | ;1-2-1;2-1-2;2-1-3;..12.!...1;1- |
2fb40 | 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 33 | 1-1;1-1-2;2-1-1;2-1-8;2-1-9;..13 |
2fb60 | 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 00 | .....2;1-1-1;1-1-8;1-1-9;2-2-1;. |
2fb80 | 02 31 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 35 | .14.....9;1-1-2;2-1-1;2-1-8;..15 |
2fba0 | 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 | .!...8;1-1-1;1-1-2;2-1-1;2-1-2;2 |
2fbc0 | 2d 31 2d 39 3b 00 02 31 36 00 21 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d | -1-9;..16.!...1;1-1-2;1-1-8;2-1- |
2fbe0 | 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 37 00 1b 00 00 00 32 3b 31 2d 32 2d 31 3b 31 | 1;2-1-2;2-1-9;..17.....2;1-2-1;1 |
2fc00 | 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 31 38 00 0f 00 00 00 39 3b 31 2d 31 2d | -1-9;2-2-1;2-2-8;..18.....9;1-1- |
2fc20 | 32 3b 32 2d 32 2d 31 3b 00 02 31 39 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 | 2;2-2-1;..19.!...1;1-2-1;1-1-2;1 |
2fc40 | 2d 31 2d 38 3b 32 2d 35 2d 31 3b 32 2d 31 2d 39 3b 00 02 32 30 00 15 00 00 00 38 3b 31 2d 31 2d | -1-8;2-5-1;2-1-9;..20.....8;1-1- |
2fc60 | 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 31 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 32 | 1;2-2-1;2-1-2;..21.....1;1-2-1;2 |
2fc80 | 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 32 00 0f 00 00 00 31 3b 31 2d 32 2d | -2-1;2-1-2;2-1-8;..22.....1;1-2- |
2fca0 | 31 3b 32 2d 33 2d 31 3b 00 02 32 33 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 36 2d 31 3b 00 | 1;2-3-1;..23.....1;1-3-1;2-6-1;. |
2fcc0 | 02 32 34 00 1b 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d | .24.....1;1-4-1;2-4-1;2-1-2;2-1- |
2fce0 | 38 3b 00 02 32 35 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 32 36 00 15 00 | 8;..25.....1;1-1-1;2-3-1;..26... |
2fd00 | 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 37 00 15 00 00 00 31 | ..1;1-2-1;2-4-1;2-1-8;..27.....1 |
2fd20 | 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 00 02 32 38 00 0f 00 00 00 38 3b 31 2d | ;1-2-1;1-1-8;2-3-1;..28.....8;1- |
2fd40 | 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 39 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 34 2d 31 | 1-1;2-2-1;..29.....1;1-3-1;2-4-1 |
2fd60 | 3b 32 2d 32 2d 32 3b 32 2d 31 2d 38 3b 00 02 33 30 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d | ;2-2-2;2-1-8;..30.....1;1-3-1;2- |
2fd80 | 35 2d 31 3b 00 02 33 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 | 5-1;..31.....1;1-2-1;2-2-1;2-1-2 |
2fda0 | 3b 00 02 33 32 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d | ;..32.....1;1-1-1;1-1-2;2-2-1;2- |
2fdc0 | 31 2d 32 3b 00 02 33 33 00 1b 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 | 1-2;..33.....2;1-2-1;1-1-2;2-3-1 |
2fde0 | 3b 32 2d 32 2d 32 3b 00 02 33 34 00 1b 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 32 2d 31 3b 32 2d | ;2-2-2;..34.....2;1-2-2;2-2-1;2- |
2fe00 | 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 33 35 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 39 | 1-2;2-1-9;..35.....2;1-2-2;1-1-9 |
2fe20 | 3b 32 2d 32 2d 32 3b 00 02 33 36 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 02 | ;2-2-2;..36.....9;1-1-2;2-2-2;.. |
2fe40 | 33 37 00 1b 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 | 37.....2;1-2-2;2-1-1;2-1-2;2-1-9 |
2fe60 | 3b 00 02 33 38 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d | ;..38.....2;1-1-1;1-1-2;2-2-1;2- |
2fe80 | 32 2d 32 3b 00 02 33 39 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 32 2d 32 3b 32 2d 33 2d 31 | 2-2;..39.....1;1-2-1;1-2-2;2-3-1 |
2fea0 | 3b 32 2d 32 2d 32 3b 00 02 34 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d | ;2-2-2;..40.....1;1-1-1;2-1-1;2- |
2fec0 | 32 2d 32 3b 00 02 34 31 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d | 2-2;..41.#...1;1-1-1;1-1-19;2-1- |
2fee0 | 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 34 32 00 17 00 00 00 31 3b 31 2d 31 2d 31 3b | 1;2-1-3;2-1-15;..42.....1;1-1-1; |
2ff00 | 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 39 3b 00 02 34 33 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b | 1-1-15;2-1-19;..43.....15;1-1-1; |
2ff20 | 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 4e 00 00 00 43 6c 43 43 4e 28 63 31 63 63 63 | 2-1-1;....smiles.N...ClCCN(c1ccc |
2ff40 | 28 63 63 31 29 43 43 43 43 28 3d 4f 29 4f 43 43 28 3d 4f 29 43 31 28 4f 29 43 43 43 32 43 31 28 | (cc1)CCCC(=O)OCC(=O)C1(O)CCC2C1( |
2ff60 | 43 29 43 43 28 4f 29 43 31 43 32 43 43 43 32 3d 43 43 28 3d 4f 29 43 3d 43 43 31 32 43 29 43 43 | C)CC(O)C1C2CCC2=CC(=O)C=CC12C)CC |
2ff80 | 43 6c 00 02 69 6e 63 68 69 00 e4 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 35 48 34 35 43 6c 32 | Cl..inchi.....InChI=1S/C35H45Cl2 |
2ffa0 | 4e 4f 36 2f 63 31 2d 33 33 2d 31 34 2d 31 32 2d 32 36 28 33 39 29 32 30 2d 32 34 28 33 33 29 38 | NO6/c1-33-14-12-26(39)20-24(33)8 |
2ffc0 | 2d 31 31 2d 32 37 2d 32 38 2d 31 33 2d 31 35 2d 33 35 28 34 33 2c 33 34 28 32 38 2c 32 29 32 31 | -11-27-28-13-15-35(43,34(28,2)21 |
2ffe0 | 2d 32 39 28 34 30 29 33 32 28 32 37 29 33 33 29 33 30 28 34 31 29 32 32 2d 34 34 2d 33 31 28 34 | -29(40)32(27)33)30(41)22-44-31(4 |
30000 | 32 29 35 2d 33 2d 34 2d 32 33 2d 36 2d 39 2d 32 35 28 31 30 2d 37 2d 32 33 29 33 38 28 31 38 2d | 2)5-3-4-23-6-9-25(10-7-23)38(18- |
30020 | 31 36 2d 33 36 29 31 39 2d 31 37 2d 33 37 2f 68 36 2d 37 2c 39 2d 31 30 2c 31 32 2c 31 34 2c 32 | 16-36)19-17-37/h6-7,9-10,12,14,2 |
30040 | 30 2c 32 37 2d 32 39 2c 33 32 2c 34 30 2c 34 33 48 2c 33 2d 35 2c 38 2c 31 31 2c 31 33 2c 31 35 | 0,27-29,32,40,43H,3-5,8,11,13,15 |
30060 | 2d 31 39 2c 32 31 2d 32 32 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 64 f3 | -19,21-22H2,1-2H3..updated_at.d. |
30080 | 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 62 f3 5e 46 50 01 00 00 10 64 65 66 61 75 | ^FP....created_at.b.^FP....defau |
300a0 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 e4 08 00 00 07 5f 69 | lt_fingerprint_size..........._i |
300c0 | 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 d7 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..g+r.+@....warnings.......fi |
300e0 | 6e 67 65 72 70 72 69 6e 74 73 00 ff 06 00 00 04 4d 50 32 44 00 f4 06 00 00 02 30 00 0f 00 00 00 | ngerprints......MP2D......0..... |
30100 | 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d | 1;1-1-3;2-2-3;..1.....3;1-1-1;1- |
30120 | 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b | 2-3;2-2-3;..2.....3;1-2-3;2-1-1; |
30140 | 32 2d 32 2d 33 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 2-2-3;..3.....3;1-2-3;2-2-3;2-1- |
30160 | 33 30 3b 00 02 34 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 33 30 3b 32 2d 32 2d 33 3b | 30;..4."...3;1-2-3;1-1-30;2-2-3; |
30180 | 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-1-8;2-2-9;..5.....3;1-2-3;2-2- |
301a0 | 33 3b 32 2d 31 2d 33 30 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 | 3;2-1-30;..6.....3;1-2-3;2-1-1;2 |
301c0 | 2d 32 2d 33 3b 00 02 37 00 1c 00 00 00 33 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d | -2-3;..7.....30;1-1-3;1-1-8;1-2- |
301e0 | 39 3b 32 2d 33 2d 33 3b 00 02 38 00 1c 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 | 9;2-3-3;..8.....9;1-1-30;2-1-3;2 |
30200 | 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 39 00 1c 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d | -1-8;2-1-9;..9.....9;1-1-30;2-1- |
30220 | 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 30 00 1c 00 00 00 38 3b 31 2d 31 2d 33 3b 31 | 3;2-1-8;2-1-9;..10.....8;1-1-3;1 |
30240 | 2d 31 2d 33 30 3b 32 2d 33 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 31 00 1c 00 00 00 33 3b 31 2d 32 | -1-30;2-3-3;2-2-9;..11.....3;1-2 |
30260 | 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 32 00 15 00 00 00 33 | -3;1-1-8;2-2-3;2-1-30;..12.....3 |
30280 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d | ;1-2-3;2-2-3;2-1-8;..13.....3;1- |
302a0 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 34 00 1b 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-2-3;2-1-6;..14.....3;1-2-3 |
302c0 | 3b 31 2d 31 2d 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d | ;1-1-6;2-2-3;2-1-6;..15.....3;1- |
302e0 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-2-3;2-1-6;..16.....3;1-2-3 |
30300 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 37 00 15 00 00 00 36 3b 31 2d 31 2d 33 3b 31 2d | ;2-2-3;2-1-8;..17.....6;1-1-3;1- |
30320 | 31 2d 36 3b 32 2d 33 2d 33 3b 00 02 31 38 00 15 00 00 00 36 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 | 1-6;2-3-3;..18.....6;1-1-3;1-1-6 |
30340 | 3b 32 2d 33 2d 33 3b 00 02 31 39 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d | ;2-3-3;..19.!...3;1-2-3;1-1-6;2- |
30360 | 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 32 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 | 1-1;2-2-3;2-1-6;..20.....3;1-2-3 |
30380 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 32 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-3;2-1-6;..21.....3;1-2-3;2- |
303a0 | 33 2d 33 3b 00 02 32 32 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 32 33 00 | 3-3;..22.....3;1-3-3;2-4-3;..23. |
303c0 | 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 32 34 00 1b 00 00 | ....3;1-2-3;2-1-1;2-3-3;..24.... |
303e0 | 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 32 35 00 | .3;1-1-1;1-2-3;2-2-3;2-1-6;..25. |
30400 | 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 36 00 0f 00 00 00 33 3b 31 2d 33 | ....1;1-1-3;2-2-3;..26.....3;1-3 |
30420 | 2d 33 3b 32 2d 34 2d 33 3b 00 02 32 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b | -3;2-4-3;..27.....3;1-2-3;2-3-3; |
30440 | 00 02 32 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 | ..28.....3;1-2-3;2-2-3;2-1-19;.. |
30460 | 32 39 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d | 29."...3;1-2-3;1-1-19;2-1-1;2-2- |
30480 | 33 3b 32 2d 31 2d 36 3b 00 02 33 30 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 | 3;2-1-6;..30.....3;1-1-1;1-2-3;2 |
304a0 | 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | -2-3;2-1-19;..31.....3;1-2-3;2-1 |
304c0 | 2d 31 3b 32 2d 33 2d 33 3b 00 02 33 32 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b | -1;2-3-3;..32.....1;1-1-3;2-2-3; |
304e0 | 00 02 33 33 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d | ..33.....19;1-1-3;1-1-6;2-1-2;2- |
30500 | 32 2d 33 3b 00 02 33 34 00 1c 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d | 2-3;..34.....6;1-1-2;1-1-19;2-1- |
30520 | 32 3b 32 2d 32 2d 33 3b 00 02 33 35 00 2e 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 | 2;2-2-3;..35.....2;1-1-2;1-1-3;1 |
30540 | 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 | -1-6;2-1-2;2-2-3;2-1-9;2-1-19;.. |
30560 | 33 36 00 21 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 | 36.!...2;1-2-2;1-1-9;2-1-2;2-1-3 |
30580 | 3b 32 2d 31 2d 36 3b 00 02 33 37 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 02 | ;2-1-6;..37.....9;1-1-2;2-2-2;.. |
305a0 | 33 38 00 1b 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 | 38.....2;1-2-2;2-1-2;2-1-3;2-1-9 |
305c0 | 3b 00 02 33 39 00 1b 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 2d | ;..39.....2;1-1-2;1-1-3;2-1-2;2- |
305e0 | 32 2d 33 3b 00 02 34 30 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 32 | 2-3;..40.....3;1-1-2;1-2-3;2-2-2 |
30600 | 3b 32 2d 32 2d 33 3b 00 02 34 31 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-3;..41.(...3;1-1-2;1-2-3;2- |
30620 | 32 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 30 3b 00 02 34 32 00 28 00 00 00 | 2-2;2-2-3;2-1-6;2-1-10;..42.(... |
30640 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 | 3;1-2-3;1-1-10;2-1-2;2-2-3;2-1-8 |
30660 | 3b 32 2d 32 2d 39 3b 00 02 34 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | ;2-2-9;..43.....3;1-2-3;2-2-3;2- |
30680 | 32 2d 31 30 3b 00 02 34 34 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 32 | 2-10;..44."...3;1-2-3;1-1-10;2-2 |
306a0 | 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 34 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-1-8;2-2-9;..45.....3;1-2-3; |
306c0 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 34 36 00 1c 00 00 00 31 30 3b 31 | 2-1-2;2-2-3;2-1-10;..46.....10;1 |
306e0 | 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 34 37 00 1c 00 00 00 | -1-3;1-1-8;1-2-9;2-2-3;..47..... |
30700 | 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 34 38 00 | 9;1-1-10;2-1-3;2-1-8;2-1-9;..48. |
30720 | 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 | ....9;1-1-10;2-1-3;2-1-8;2-1-9;. |
30740 | 02 34 39 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 02 35 | .49.....8;1-1-10;2-1-3;2-2-9;..5 |
30760 | 30 00 1c 00 00 00 31 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 | 0.....10;1-1-3;1-1-8;1-2-9;2-2-3 |
30780 | 3b 00 02 35 31 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 | ;..51.....9;1-1-10;2-1-3;2-1-8;2 |
307a0 | 2d 31 2d 39 3b 00 02 35 32 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 | -1-9;..52.....9;1-1-10;2-1-3;2-1 |
307c0 | 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 33 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 | -8;2-1-9;..53.....8;1-1-10;2-1-3 |
307e0 | 3b 32 2d 32 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 69 00 00 00 43 63 31 63 63 63 28 63 63 31 | ;2-2-9;....smiles.i...Cc1ccc(cc1 |
30800 | 29 53 28 3d 4f 29 28 3d 4f 29 4f 63 31 63 63 63 28 63 63 31 29 4e 3d 4e 63 31 63 63 63 28 63 63 | )S(=O)(=O)Oc1ccc(cc1)N=Nc1ccc(cc |
30820 | 31 43 29 63 31 63 63 63 28 63 28 63 31 29 43 29 4e 4e 3d 43 31 43 28 3d 4f 29 43 3d 43 63 32 63 | 1C)c1ccc(c(c1)C)NN=C1C(=O)C=Cc2c |
30840 | 31 63 28 63 63 28 63 32 29 53 28 3d 4f 29 28 3d 4f 29 4f 29 53 28 3d 4f 29 28 3d 4f 29 4f 00 02 | 1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O.. |
30860 | 69 6e 63 68 69 00 ec 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 37 48 33 30 4e 34 4f 31 30 53 33 | inchi.....InChI=1S/C37H30N4O10S3 |
30880 | 2f 63 31 2d 32 32 2d 34 2d 31 33 2d 33 30 28 31 34 2d 35 2d 32 32 29 35 34 28 34 39 2c 35 30 29 | /c1-22-4-13-30(14-5-22)54(49,50) |
308a0 | 35 31 2d 32 39 2d 31 31 2d 39 2d 32 38 28 31 30 2d 31 32 2d 32 39 29 33 38 2d 33 39 2d 33 32 2d | 51-29-11-9-28(10-12-29)38-39-32- |
308c0 | 31 35 2d 36 2d 32 35 28 31 38 2d 32 33 28 33 32 29 32 29 32 36 2d 37 2d 31 36 2d 33 33 28 32 34 | 15-6-25(18-23(32)2)26-7-16-33(24 |
308e0 | 28 33 29 31 39 2d 32 36 29 34 30 2d 34 31 2d 33 37 2d 33 34 28 34 32 29 31 37 2d 38 2d 32 37 2d | (3)19-26)40-41-37-34(42)17-8-27- |
30900 | 32 30 2d 33 31 28 35 32 28 34 33 2c 34 34 29 34 35 29 32 31 2d 33 35 28 33 36 28 32 37 29 33 37 | 20-31(52(43,44)45)21-35(36(27)37 |
30920 | 29 35 33 28 34 36 2c 34 37 29 34 38 2f 68 34 2d 32 31 2c 34 30 48 2c 31 2d 33 48 33 2c 28 48 2c | )53(46,47)48/h4-21,40H,1-3H3,(H, |
30940 | 34 33 2c 34 34 2c 34 35 29 28 48 2c 34 36 2c 34 37 2c 34 38 29 00 09 75 70 64 61 74 65 64 5f 61 | 43,44,45)(H,46,47,48)..updated_a |
30960 | 74 00 6f f3 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 6d f3 5e 46 50 01 00 00 10 64 | t.o.^FP....created_at.m.^FP....d |
30980 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 a4 07 00 | efault_fingerprint_size......... |
309a0 | 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 d8 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V..g+r.+@....warnings..... |
309c0 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 db 05 00 00 04 4d 50 32 44 00 d0 05 00 00 02 30 00 | ..fingerprints......MP2D......0. |
309e0 | 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 00 1b 00 00 00 31 3b 31 2d 31 2d | ....1;1-1-1;2-1-6;..1.....1;1-1- |
30a00 | 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 21 00 00 00 36 3b 31 2d | 1;1-1-6;2-1-1;2-1-2;..2.!...6;1- |
30a20 | 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 33 3b 00 02 33 00 | 2-1;1-1-2;2-1-1;2-2-2;2-1-3;..3. |
30a40 | 1b 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 | ....2;1-2-2;1-1-6;2-2-1;2-2-2;.. |
30a60 | 34 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 32 2d 32 3b 32 2d 31 2d 36 3b 00 02 35 00 0f 00 | 4.....2;1-2-2;2-2-2;2-1-6;..5... |
30a80 | 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 33 2d 32 3b 00 02 36 00 15 00 00 00 32 3b 31 2d 33 2d 32 3b | ..2;1-2-2;2-3-2;..6.....2;1-3-2; |
30aa0 | 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 1b 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 32 2d | 2-2-2;2-2-3;..7.....2;1-1-2;1-2- |
30ac0 | 33 3b 32 2d 32 2d 32 3b 32 2d 34 2d 33 3b 00 02 38 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d | 3;2-2-2;2-4-3;..8.....3;1-1-2;1- |
30ae0 | 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | 2-3;2-1-2;2-3-3;..9.....3;1-2-3; |
30b00 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 2-1-2;2-2-3;..10.....3;1-2-3;2-2 |
30b20 | 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | -3;2-1-19;..11.....3;1-2-3;1-1-1 |
30b40 | 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 9;2-2-1;2-2-3;..12.....3;1-2-3;2 |
30b60 | 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | -2-3;2-1-19;..13.....3;1-2-3;2-1 |
30b80 | 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 34 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 | -2;2-2-3;..14.....19;1-2-1;1-1-3 |
30ba0 | 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 31 35 00 1c 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d | ;2-1-1;2-3-3;..15.....1;1-1-3;1- |
30bc0 | 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 31 36 00 1c 00 00 00 33 3b 31 2d 31 2d | 1-19;2-1-1;2-3-3;..16.....3;1-1- |
30be0 | 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 37 00 15 00 00 00 33 3b | 1;1-2-3;2-2-3;2-1-19;..17.....3; |
30c00 | 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 38 00 0f 00 00 00 33 3b 31 2d 32 | 1-2-3;2-1-1;2-2-3;..18.....3;1-2 |
30c20 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | -3;2-2-3;..19.....3;1-2-3;2-2-3; |
30c40 | 32 2d 31 2d 31 30 3b 00 02 32 30 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 | 2-1-10;..20."...3;1-2-3;1-1-10;2 |
30c60 | 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 32 31 00 1c 00 00 00 33 3b 31 2d 32 2d | -2-3;2-1-8;2-2-9;..21.....3;1-2- |
30c80 | 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 32 32 00 1c 00 00 00 31 30 | 3;2-1-1;2-2-3;2-1-10;..22.....10 |
30ca0 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 32 33 00 1c 00 | ;1-1-3;1-1-8;1-2-9;2-2-3;..23... |
30cc0 | 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 | ..9;1-1-10;2-1-3;2-1-8;2-1-9;..2 |
30ce0 | 34 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 | 4.....9;1-1-10;2-1-3;2-1-8;2-1-9 |
30d00 | 3b 00 02 32 35 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 | ;..25.....8;1-1-10;2-1-3;2-2-9;. |
30d20 | 02 32 36 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 | .26.....1;1-1-1;1-1-19;2-1-1;2-1 |
30d40 | 2d 33 3b 00 02 32 37 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 32 38 00 | -3;..27.....1;1-1-1;2-1-19;..28. |
30d60 | 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 02 | ....3;1-1-2;1-2-3;2-1-2;2-3-3;.. |
30d80 | 32 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 33 30 00 | 29.....3;1-2-3;2-1-2;2-2-3;..30. |
30da0 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 33 31 00 0f 00 00 00 33 3b 31 2d 32 | ....3;1-2-3;2-2-3;..31.....3;1-2 |
30dc0 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 33 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | -3;2-2-3;..32.....3;1-2-3;2-2-3; |
30de0 | 00 02 33 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 33 | ..33.....3;1-2-3;2-1-2;2-2-3;..3 |
30e00 | 34 00 0f 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 33 2d 32 3b 00 02 33 35 00 15 00 00 00 32 3b 31 | 4.....2;1-2-2;2-3-2;..35.....2;1 |
30e20 | 2d 32 2d 32 3b 32 2d 32 2d 32 3b 32 2d 31 2d 36 3b 00 02 33 36 00 21 00 00 00 31 3b 31 2d 31 2d | -2-2;2-2-2;2-1-6;..36.!...1;1-1- |
30e40 | 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 33 37 00 1b | 3;1-1-6;2-1-1;2-1-2;2-2-3;..37.. |
30e60 | 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 33 | ...3;1-1-1;1-2-3;2-2-3;2-1-6;..3 |
30e80 | 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 39 00 0f | 8.....3;1-2-3;2-1-1;2-2-3;..39.. |
30ea0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 34 30 00 16 00 00 00 33 3b 31 2d 32 2d | ...3;1-2-3;2-2-3;..40.....3;1-2- |
30ec0 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 34 31 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b | 3;2-2-3;2-1-10;..41."...3;1-2-3; |
30ee0 | 31 2d 31 2d 31 30 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 34 32 00 1c 00 | 1-1-10;2-2-3;2-1-8;2-2-9;..42... |
30f00 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 34 | ..3;1-2-3;2-1-1;2-2-3;2-1-10;..4 |
30f20 | 33 00 1c 00 00 00 31 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 | 3.....10;1-1-3;1-1-8;1-2-9;2-2-3 |
30f40 | 3b 00 02 34 34 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 | ;..44.....9;1-1-10;2-1-3;2-1-8;2 |
30f60 | 2d 31 2d 39 3b 00 02 34 35 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 | -1-9;..45.....9;1-1-10;2-1-3;2-1 |
30f80 | 2d 38 3b 32 2d 31 2d 39 3b 00 02 34 36 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 | -8;2-1-9;..46.....8;1-1-10;2-1-3 |
30fa0 | 3b 32 2d 32 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 5b 00 00 00 43 43 5b 4e 2b 5d 28 3d 43 31 | ;2-2-9;....smiles.[...CC[N+](=C1 |
30fc0 | 43 3d 43 43 28 3d 43 28 63 32 63 63 63 28 63 63 32 29 4e 28 43 63 32 63 63 63 63 28 63 32 29 53 | C=CC(=C(c2ccc(cc2)N(Cc2cccc(c2)S |
30fe0 | 28 3d 4f 29 28 3d 4f 29 4f 29 43 43 29 63 32 63 63 63 63 63 32 29 43 3d 43 31 29 43 63 31 63 63 | (=O)(=O)O)CC)c2ccccc2)C=C1)Cc1cc |
31000 | 63 63 28 63 31 29 53 28 3d 4f 29 28 3d 4f 29 4f 00 02 69 6e 63 68 69 00 de 00 00 00 49 6e 43 68 | cc(c1)S(=O)(=O)O..inchi.....InCh |
31020 | 49 3d 31 53 2f 43 33 37 48 33 36 4e 32 4f 36 53 32 2f 63 31 2d 33 2d 33 38 28 32 36 2d 32 38 2d | I=1S/C37H36N2O6S2/c1-3-38(26-28- |
31040 | 31 30 2d 38 2d 31 34 2d 33 35 28 32 34 2d 32 38 29 34 36 28 34 30 2c 34 31 29 34 32 29 33 33 2d | 10-8-14-35(24-28)46(40,41)42)33- |
31060 | 32 30 2d 31 36 2d 33 31 28 31 37 2d 32 31 2d 33 33 29 33 37 28 33 30 2d 31 32 2d 36 2d 35 2d 37 | 20-16-31(17-21-33)37(30-12-6-5-7 |
31080 | 2d 31 33 2d 33 30 29 33 32 2d 31 38 2d 32 32 2d 33 34 28 32 33 2d 31 39 2d 33 32 29 33 39 28 34 | -13-30)32-18-22-34(23-19-32)39(4 |
310a0 | 2d 32 29 32 37 2d 32 39 2d 31 31 2d 39 2d 31 35 2d 33 36 28 32 35 2d 32 39 29 34 37 28 34 33 2c | -2)27-29-11-9-15-36(25-29)47(43, |
310c0 | 34 34 29 34 35 2f 68 35 2d 32 35 48 2c 33 2d 34 2c 32 36 2d 32 37 48 32 2c 31 2d 32 48 33 2c 28 | 44)45/h5-25H,3-4,26-27H2,1-2H3,( |
310e0 | 48 2d 2c 34 30 2c 34 31 2c 34 32 2c 34 33 2c 34 34 2c 34 35 29 2f 70 2b 31 00 09 75 70 64 61 74 | H-,40,41,42,43,44,45)/p+1..updat |
31100 | 65 64 5f 61 74 00 7a f3 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 79 f3 5e 46 50 01 | ed_at.z.^FP....created_at.y.^FP. |
31120 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
31140 | 00 75 08 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 d9 04 77 61 72 6e 69 6e 67 73 00 | .u...._id.V..g+r.+@....warnings. |
31160 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 8c 06 00 00 04 4d 50 32 44 00 81 06 00 | ......fingerprints......MP2D.... |
31180 | 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 00 15 00 00 00 31 3b | ..0.....1;1-1-1;2-1-5;..1.....1; |
311a0 | 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 32 00 1b 00 00 00 35 3b 31 2d 33 2d | 1-1-1;1-1-5;2-2-1;..2.....5;1-3- |
311c0 | 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 33 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d | 1;2-1-1;2-2-2;2-1-3;..3.....1;1- |
311e0 | 32 2d 32 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 34 00 1b 00 00 00 32 3b | 2-2;1-1-5;2-2-1;2-2-2;..4.....2; |
31200 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 32 2d 31 2d 35 3b 00 02 35 00 15 00 00 00 | 1-1-1;1-1-2;2-2-2;2-1-5;..5..... |
31220 | 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 36 00 15 00 00 00 32 3b 31 2d | 2;1-2-2;2-1-1;2-2-2;..6.....2;1- |
31240 | 33 2d 32 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 1b 00 00 00 32 3b 31 2d 31 2d 32 3b | 3-2;2-2-2;2-2-3;..7.....2;1-1-2; |
31260 | 31 2d 32 2d 33 3b 32 2d 32 2d 32 3b 32 2d 34 2d 33 3b 00 02 38 00 1b 00 00 00 33 3b 31 2d 31 2d | 1-2-3;2-2-2;2-4-3;..8.....3;1-1- |
31280 | 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 02 39 00 15 00 00 00 33 3b 31 2d | 2;1-2-3;2-1-2;2-3-3;..9.....3;1- |
312a0 | 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-1-2;2-2-3;..10.....3;1-2-3 |
312c0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 31 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | ;2-2-3;2-1-10;..11."...3;1-2-3;1 |
312e0 | 2d 31 2d 31 30 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 31 32 00 16 00 00 | -1-10;2-2-3;2-1-8;2-2-9;..12.... |
31300 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 33 00 15 00 00 00 33 | .3;1-2-3;2-2-3;2-1-10;..13.....3 |
31320 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 34 00 1c 00 00 00 31 30 3b 31 | ;1-2-3;2-1-2;2-2-3;..14.....10;1 |
31340 | 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 31 35 00 1c 00 00 00 | -1-3;1-1-8;1-2-9;2-2-3;..15..... |
31360 | 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 36 00 | 9;1-1-10;2-1-3;2-1-8;2-1-9;..16. |
31380 | 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 | ....9;1-1-10;2-1-3;2-1-8;2-1-9;. |
313a0 | 02 31 37 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 | .17.....8;1-1-10;2-1-3;2-2-9;..1 |
313c0 | 38 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b | 8.....3;1-1-2;1-2-3;2-1-2;2-3-3; |
313e0 | 00 02 31 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 | ..19.....3;1-2-3;2-1-2;2-2-3;..2 |
31400 | 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 32 31 00 | 0.....3;1-2-3;2-2-3;2-1-19;..21. |
31420 | 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 | ....3;1-2-3;1-1-19;2-2-1;2-2-3;. |
31440 | 02 32 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 32 | .22.....3;1-2-3;2-2-3;2-1-19;..2 |
31460 | 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 34 00 1c | 3.....3;1-2-3;2-1-2;2-2-3;..24.. |
31480 | 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 | ...19;1-2-1;1-1-3;2-1-1;2-3-3;.. |
314a0 | 32 35 00 1c 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 33 2d | 25.....1;1-1-3;1-1-19;2-1-1;2-3- |
314c0 | 33 3b 00 02 32 36 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 3;..26.....3;1-1-1;1-2-3;2-2-3;2 |
314e0 | 2d 31 2d 31 39 3b 00 02 32 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 | -1-19;..27.....3;1-2-3;2-1-1;2-2 |
31500 | 2d 33 3b 00 02 32 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 39 00 16 | -3;..28.....3;1-2-3;2-2-3;..29.. |
31520 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 33 30 00 22 00 00 | ...3;1-2-3;2-2-3;2-1-10;..30.".. |
31540 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d | .3;1-2-3;1-1-10;2-2-3;2-1-8;2-2- |
31560 | 39 3b 00 02 33 31 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 | 9;..31.....3;1-2-3;2-1-1;2-2-3;2 |
31580 | 2d 31 2d 31 30 3b 00 02 33 32 00 1c 00 00 00 31 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d | -1-10;..32.....10;1-1-3;1-1-8;1- |
315a0 | 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 33 33 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d | 2-9;2-2-3;..33.....9;1-1-10;2-1- |
315c0 | 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 33 34 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b | 3;2-1-8;2-1-9;..34.....9;1-1-10; |
315e0 | 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 33 35 00 16 00 00 00 38 3b 31 2d 31 | 2-1-3;2-1-8;2-1-9;..35.....8;1-1 |
31600 | 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 02 33 36 00 1c 00 00 00 31 3b 31 2d 31 2d 31 | -10;2-1-3;2-2-9;..36.....1;1-1-1 |
31620 | 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 37 00 10 00 00 00 31 3b 31 | ;1-1-19;2-1-1;2-1-3;..37.....1;1 |
31640 | 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 33 38 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 | -1-1;2-1-19;..38.....2;1-2-2;2-1 |
31660 | 2d 31 3b 32 2d 32 2d 32 3b 00 02 33 39 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | -1;2-2-2;..39.....2;1-1-1;1-1-2; |
31680 | 32 2d 32 2d 32 3b 32 2d 31 2d 35 3b 00 02 34 30 00 1b 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 | 2-2-2;2-1-5;..40.....1;1-1-3;1-1 |
316a0 | 2d 35 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 31 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b | -5;2-2-1;2-2-3;..41.....3;1-1-1; |
316c0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 00 02 34 32 00 15 00 00 00 33 3b 31 2d 32 | 1-2-3;2-2-3;2-1-5;..42.....3;1-2 |
316e0 | 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-1-1;2-2-3;..43.....3;1-2-3; |
31700 | 32 2d 32 2d 33 3b 00 02 34 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | 2-2-3;..44.....3;1-2-3;2-2-3;2-1 |
31720 | 2d 31 30 3b 00 02 34 35 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d | -10;..45."...3;1-2-3;1-1-10;2-2- |
31740 | 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 34 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;2-1-8;2-2-9;..46.....3;1-2-3;2 |
31760 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 34 37 00 1c 00 00 00 31 30 3b 31 2d | -1-1;2-2-3;2-1-10;..47.....10;1- |
31780 | 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 34 38 00 1c 00 00 00 39 | 1-3;1-1-8;1-2-9;2-2-3;..48.....9 |
317a0 | 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 34 39 00 1c | ;1-1-10;2-1-3;2-1-8;2-1-9;..49.. |
317c0 | 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 | ...9;1-1-10;2-1-3;2-1-8;2-1-9;.. |
317e0 | 35 30 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 00 00 02 | 50.....8;1-1-10;2-1-3;2-2-9;.... |
31800 | 73 6d 69 6c 65 73 00 65 00 00 00 43 43 4e 28 5b 43 5d 31 43 3d 43 43 28 3d 43 28 63 32 63 63 63 | smiles.e...CCN([C]1C=CC(=C(c2ccc |
31820 | 28 63 63 32 29 53 28 3d 4f 29 28 3d 4f 29 4f 29 63 32 63 63 63 28 63 63 32 29 4e 28 43 63 32 63 | (cc2)S(=O)(=O)O)c2ccc(cc2)N(Cc2c |
31840 | 63 63 63 28 63 32 29 53 28 3d 4f 29 28 3d 4f 29 4f 29 43 43 29 43 3d 43 31 29 43 63 31 63 63 63 | ccc(c2)S(=O)(=O)O)CC)C=C1)Cc1ccc |
31860 | 63 28 63 31 29 53 28 3d 4f 29 28 3d 4f 29 4f 00 02 69 6e 63 68 69 00 f4 00 00 00 49 6e 43 68 49 | c(c1)S(=O)(=O)O..inchi.....InChI |
31880 | 3d 31 53 2f 43 33 37 48 33 37 4e 32 4f 39 53 33 2f 63 31 2d 33 2d 33 38 28 32 35 2d 32 37 2d 37 | =1S/C37H37N2O9S3/c1-3-38(25-27-7 |
318a0 | 2d 35 2d 39 2d 33 35 28 32 33 2d 32 37 29 35 30 28 34 33 2c 34 34 29 34 35 29 33 32 2d 31 37 2d | -5-9-35(23-27)50(43,44)45)32-17- |
318c0 | 31 31 2d 32 39 28 31 32 2d 31 38 2d 33 32 29 33 37 28 33 31 2d 31 35 2d 32 31 2d 33 34 28 32 32 | 11-29(12-18-32)37(31-15-21-34(22 |
318e0 | 2d 31 36 2d 33 31 29 34 39 28 34 30 2c 34 31 29 34 32 29 33 30 2d 31 33 2d 31 39 2d 33 33 28 32 | -16-31)49(40,41)42)30-13-19-33(2 |
31900 | 30 2d 31 34 2d 33 30 29 33 39 28 34 2d 32 29 32 36 2d 32 38 2d 38 2d 36 2d 31 30 2d 33 36 28 32 | 0-14-30)39(4-2)26-28-8-6-10-36(2 |
31920 | 34 2d 32 38 29 35 31 28 34 36 2c 34 37 29 34 38 2f 68 35 2d 32 34 48 2c 33 2d 34 2c 32 35 2d 32 | 4-28)51(46,47)48/h5-24H,3-4,25-2 |
31940 | 36 48 32 2c 31 2d 32 48 33 2c 28 48 2c 34 30 2c 34 31 2c 34 32 29 28 48 2c 34 33 2c 34 34 2c 34 | 6H2,1-2H3,(H,40,41,42)(H,43,44,4 |
31960 | 35 29 28 48 2c 34 36 2c 34 37 2c 34 38 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 86 f3 5e 46 50 | 5)(H,46,47,48)..updated_at...^FP |
31980 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 84 f3 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at...^FP....default_ |
319a0 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 1f 08 00 00 07 5f 69 64 00 56 | fingerprint_size..........._id.V |
319c0 | 16 1c 67 2b 72 ed 2b 40 00 00 da 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..g+r.+@....warnings.......finge |
319e0 | 72 70 72 69 6e 74 73 00 46 06 00 00 04 4d 50 32 44 00 3b 06 00 00 02 30 00 10 00 00 00 31 3b 31 | rprints.F....MP2D.;....0.....1;1 |
31a00 | 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -1-1;2-1-19;..1.....1;1-1-1;1-1- |
31a20 | 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b | 19;2-1-1;2-1-3;..2.....19;1-2-1; |
31a40 | 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 33 00 1c 00 00 00 33 3b 31 2d 32 2d | 1-1-3;2-1-1;2-3-3;..3.....3;1-2- |
31a60 | 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 16 00 00 00 33 3b 31 | 3;1-1-19;2-2-1;2-2-3;..4.....3;1 |
31a80 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d | -2-3;2-2-3;2-1-19;..5.....3;1-2- |
31aa0 | 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d | 3;2-1-2;2-2-3;..6.....3;1-1-2;1- |
31ac0 | 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | 2-3;2-1-2;2-3-3;..7.....3;1-2-3; |
31ae0 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-1-2;2-2-3;..8.....3;1-2-3;2-2- |
31b00 | 33 3b 32 2d 31 2d 31 39 3b 00 02 39 00 1b 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 | 3;2-1-19;..9.....2;1-1-2;1-2-3;2 |
31b20 | 2d 32 2d 32 3b 32 2d 34 2d 33 3b 00 02 31 30 00 15 00 00 00 32 3b 31 2d 33 2d 32 3b 32 2d 32 2d | -2-2;2-4-3;..10.....2;1-3-2;2-2- |
31b40 | 32 3b 32 2d 32 2d 33 3b 00 02 31 31 00 0f 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 33 2d 32 3b 00 | 2;2-2-3;..11.....2;1-2-2;2-3-2;. |
31b60 | 02 31 32 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 32 2d 32 3b 32 2d 31 2d 36 3b 00 02 31 33 | .12.....2;1-2-2;2-2-2;2-1-6;..13 |
31b80 | 00 1b 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 | .....2;1-2-2;1-1-6;2-2-1;2-2-2;. |
31ba0 | 02 31 34 00 15 00 00 00 36 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 02 31 35 | .14.....6;1-2-1;1-1-2;2-2-2;..15 |
31bc0 | 00 15 00 00 00 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 36 00 15 00 | .....1;1-1-6;2-1-1;2-1-2;..16... |
31be0 | 00 00 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 37 00 15 00 00 00 32 | ..1;1-1-6;2-1-1;2-1-2;..17.....2 |
31c00 | 3b 31 2d 32 2d 32 3b 32 2d 32 2d 32 3b 32 2d 31 2d 36 3b 00 02 31 38 00 0f 00 00 00 32 3b 31 2d | ;1-2-2;2-2-2;2-1-6;..18.....2;1- |
31c20 | 32 2d 32 3b 32 2d 33 2d 32 3b 00 02 31 39 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 | 2-2;2-3-2;..19.....3;1-1-2;1-2-3 |
31c40 | 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 02 32 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-1-2;2-3-3;..20.....3;1-2-3;2- |
31c60 | 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 1-2;2-2-3;..21.....3;1-2-3;2-2-3 |
31c80 | 3b 32 2d 31 2d 31 39 3b 00 02 32 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b | ;2-1-19;..22.....3;1-2-3;1-1-19; |
31ca0 | 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 2-2-1;2-2-3;..23.....3;1-2-3;2-2 |
31cc0 | 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 32 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 | -3;2-1-19;..24.....3;1-2-3;2-1-2 |
31ce0 | 3b 32 2d 32 2d 33 3b 00 02 32 35 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 | ;2-2-3;..25.....19;1-2-1;1-1-3;2 |
31d00 | 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 32 36 00 1c 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d | -1-1;2-3-3;..26.....1;1-1-3;1-1- |
31d20 | 31 39 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 32 37 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b | 19;2-1-1;2-3-3;..27.....3;1-1-1; |
31d40 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 32 38 00 15 00 00 00 33 3b 31 2d | 1-2-3;2-2-3;2-1-19;..28.....3;1- |
31d60 | 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-1-1;2-2-3;..29.....3;1-2-3 |
31d80 | 3b 32 2d 32 2d 33 3b 00 02 33 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | ;2-2-3;..30.....3;1-2-3;2-2-3;2- |
31da0 | 31 2d 31 30 3b 00 02 33 31 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 32 | 1-10;..31."...3;1-2-3;1-1-10;2-2 |
31dc0 | 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 33 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-1-8;2-2-9;..32.....3;1-2-3; |
31de0 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 33 33 00 1c 00 00 00 31 30 3b 31 | 2-1-1;2-2-3;2-1-10;..33.....10;1 |
31e00 | 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 33 34 00 1c 00 00 00 | -1-3;1-1-8;1-2-9;2-2-3;..34..... |
31e20 | 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 33 35 00 | 9;1-1-10;2-1-3;2-1-8;2-1-9;..35. |
31e40 | 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 | ....9;1-1-10;2-1-3;2-1-8;2-1-9;. |
31e60 | 02 33 36 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 02 33 | .36.....8;1-1-10;2-1-3;2-2-9;..3 |
31e80 | 37 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 | 7.....1;1-1-1;1-1-19;2-1-1;2-1-3 |
31ea0 | 3b 00 02 33 38 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 33 39 00 1c 00 | ;..38.....1;1-1-1;2-1-19;..39... |
31ec0 | 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 34 | ..1;1-1-3;1-1-19;2-1-1;2-3-3;..4 |
31ee0 | 30 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 | 0.....3;1-1-1;1-2-3;2-2-3;2-1-19 |
31f00 | 3b 00 02 34 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 | ;..41.....3;1-2-3;2-1-1;2-2-3;.. |
31f20 | 34 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 34 33 00 16 00 00 00 33 3b | 42.....3;1-2-3;2-2-3;..43.....3; |
31f40 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 34 34 00 22 00 00 00 33 3b 31 2d | 1-2-3;2-2-3;2-1-10;..44."...3;1- |
31f60 | 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 34 | 2-3;1-1-10;2-2-3;2-1-8;2-2-9;..4 |
31f80 | 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 | 5.....3;1-2-3;2-1-1;2-2-3;2-1-10 |
31fa0 | 3b 00 02 34 36 00 1c 00 00 00 31 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 | ;..46.....10;1-1-3;1-1-8;1-2-9;2 |
31fc0 | 2d 32 2d 33 3b 00 02 34 37 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 | -2-3;..47.....9;1-1-10;2-1-3;2-1 |
31fe0 | 2d 38 3b 32 2d 31 2d 39 3b 00 02 34 38 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 | -8;2-1-9;..48.....9;1-1-10;2-1-3 |
32000 | 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 34 39 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 | ;2-1-8;2-1-9;..49.....8;1-1-10;2 |
32020 | 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 62 00 00 00 43 43 4e 28 63 31 | -1-3;2-2-9;....smiles.b...CCN(c1 |
32040 | 63 63 63 28 63 63 31 29 43 28 3d 43 31 43 3d 43 43 28 3d 5b 4e 2b 5d 28 43 29 43 29 43 3d 43 31 | ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1 |
32060 | 29 63 31 63 63 63 28 63 63 31 29 4e 28 43 63 31 63 63 63 63 28 63 31 29 53 28 3d 4f 29 28 3d 4f | )c1ccc(cc1)N(Cc1cccc(c1)S(=O)(=O |
32080 | 29 4f 29 43 43 29 43 63 31 63 63 63 63 28 63 31 29 53 28 3d 4f 29 28 3d 4f 29 4f 00 02 69 6e 63 | )O)CC)Cc1cccc(c1)S(=O)(=O)O..inc |
320a0 | 68 69 00 e7 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 39 48 34 31 4e 33 4f 36 53 32 2f 63 31 2d | hi.....InChI=1S/C39H41N3O6S2/c1- |
320c0 | 35 2d 34 31 28 32 37 2d 32 39 2d 39 2d 37 2d 31 31 2d 33 37 28 32 35 2d 32 39 29 34 39 28 34 33 | 5-41(27-29-9-7-11-37(25-29)49(43 |
320e0 | 2c 34 34 29 34 35 29 33 35 2d 32 31 2d 31 35 2d 33 32 28 31 36 2d 32 32 2d 33 35 29 33 39 28 33 | ,44)45)35-21-15-32(16-22-35)39(3 |
32100 | 31 2d 31 33 2d 31 39 2d 33 34 28 32 30 2d 31 34 2d 33 31 29 34 30 28 33 29 34 29 33 33 2d 31 37 | 1-13-19-34(20-14-31)40(3)4)33-17 |
32120 | 2d 32 33 2d 33 36 28 32 34 2d 31 38 2d 33 33 29 34 32 28 36 2d 32 29 32 38 2d 33 30 2d 31 30 2d | -23-36(24-18-33)42(6-2)28-30-10- |
32140 | 38 2d 31 32 2d 33 38 28 32 36 2d 33 30 29 35 30 28 34 36 2c 34 37 29 34 38 2f 68 37 2d 32 36 48 | 8-12-38(26-30)50(46,47)48/h7-26H |
32160 | 2c 35 2d 36 2c 32 37 2d 32 38 48 32 2c 31 2d 34 48 33 2c 28 48 2d 2c 34 33 2c 34 34 2c 34 35 2c | ,5-6,27-28H2,1-4H3,(H-,43,44,45, |
32180 | 34 36 2c 34 37 2c 34 38 29 2f 70 2b 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 92 f3 5e 46 50 01 | 46,47,48)/p+1..updated_at...^FP. |
321a0 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 90 f3 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at...^FP....default_f |
321c0 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 ab 06 00 00 07 5f 69 64 00 56 16 | ingerprint_size..........._id.V. |
321e0 | 1c 67 2b 72 ed 2b 40 00 00 db 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | .g+r.+@....warnings.......finger |
32200 | 70 72 69 6e 74 73 00 0a 05 00 00 04 4d 50 32 44 00 ff 04 00 00 02 30 00 10 00 00 00 31 35 3b 31 | prints......MP2D......0.....15;1 |
32220 | 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 17 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 | -1-1;2-1-1;..1.....1;1-1-1;1-1-1 |
32240 | 35 3b 32 2d 31 2d 31 39 3b 00 02 32 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b | 5;2-1-19;..2.#...1;1-1-1;1-1-19; |
32260 | 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 33 00 1c 00 00 00 31 39 3b 31 2d | 2-1-1;2-1-3;2-1-15;..3.....19;1- |
32280 | 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 1c 00 00 00 33 3b | 2-1;1-1-3;2-2-1;2-2-3;..4.....3; |
322a0 | 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 16 00 00 | 1-2-3;1-1-19;2-2-1;2-2-3;..5.... |
322c0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 36 00 15 00 00 00 33 3b | .3;1-2-3;2-2-3;2-1-19;..6.....3; |
322e0 | 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 1b 00 00 00 33 3b 31 2d 31 2d | 1-2-3;2-1-1;2-2-3;..7.....3;1-1- |
32300 | 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 2d | 1;1-2-3;2-1-2;2-2-3;..8.....3;1- |
32320 | 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | 2-3;2-1-1;2-2-3;..9.....3;1-2-3; |
32340 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 21 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d | 2-2-3;2-1-19;..10.!...1;1-1-2;1- |
32360 | 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 31 00 21 00 00 00 32 | 1-3;2-2-3;2-1-8;2-1-9;..11.!...2 |
32380 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 | ;1-1-1;1-1-8;1-1-9;2-1-1;2-1-3;. |
323a0 | 02 31 32 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 33 | .12.....9;1-1-2;2-1-1;2-1-8;..13 |
323c0 | 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b 00 | .....8;1-1-1;1-1-2;2-3-1;2-1-9;. |
323e0 | 02 31 34 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d | .14.....1;1-2-1;1-1-8;2-1-1;2-2- |
32400 | 32 3b 00 02 31 35 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 | 2;..15.....1;1-2-1;2-2-1;2-1-8;. |
32420 | 02 31 36 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 37 | .16.....1;1-2-1;2-3-1;2-1-2;..17 |
32440 | 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 00 | .....1;1-3-1;1-1-2;2-4-1;2-1-2;. |
32460 | 02 31 38 00 15 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 35 2d 31 3b 00 02 31 39 | .18.....2;1-2-1;1-1-2;2-5-1;..19 |
32480 | 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 00 02 32 30 00 1b 00 | .....2;1-1-1;1-1-2;2-3-1;..20... |
324a0 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 31 | ..1;1-1-1;1-1-2;2-2-1;2-1-2;..21 |
324c0 | 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 32 00 15 00 | .....1;1-3-1;2-4-1;2-1-2;..22... |
324e0 | 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 35 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 33 00 0f 00 00 00 31 | ..1;1-3-1;2-5-1;2-1-2;..23.....1 |
32500 | 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 32 34 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d | ;1-2-1;2-3-1;..24.....1;1-2-1;2- |
32520 | 34 2d 31 3b 00 02 32 35 00 0f 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 35 2d 31 3b 00 02 32 36 00 | 4-1;..25.....1;1-4-1;2-5-1;..26. |
32540 | 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 36 2d 31 3b 00 02 32 37 00 0f 00 00 00 31 3b 31 2d 32 | ....1;1-3-1;2-6-1;..27.....1;1-2 |
32560 | 2d 31 3b 32 2d 33 2d 31 3b 00 02 32 38 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b | -1;2-3-1;..28.....1;1-2-1;2-3-1; |
32580 | 00 02 32 39 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 36 2d 31 3b 00 02 33 30 00 0f 00 00 00 | ..29.....1;1-3-1;2-6-1;..30..... |
325a0 | 31 3b 31 2d 33 2d 31 3b 32 2d 33 2d 31 3b 00 02 33 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 | 1;1-3-1;2-3-1;..31.....1;1-2-1;2 |
325c0 | 2d 33 2d 31 3b 00 02 33 32 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 33 | -3-1;..32.....1;1-2-1;2-2-1;..33 |
325e0 | 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 33 34 00 0f 00 00 00 31 3b 31 2d | .....1;1-2-1;2-3-1;..34.....1;1- |
32600 | 33 2d 31 3b 32 2d 31 2d 31 3b 00 02 33 35 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 | 3-1;2-1-1;..35.....1;1-1-1;2-2-1 |
32620 | 3b 00 02 33 36 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 37 00 0f 00 00 | ;..36.....1;1-1-1;2-2-1;..37.... |
32640 | 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 38 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b | .1;1-1-1;2-2-1;..38.....1;1-1-1; |
32660 | 32 2d 33 2d 31 3b 00 02 33 39 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 | 2-3-1;..39.!...1;1-1-1;1-1-2;2-2 |
32680 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 34 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b | -1;2-1-2;2-1-8;..40.....1;1-1-1; |
326a0 | 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 31 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-2-1;2-1-2;..41.#...1;1-1-1;1-1 |
326c0 | 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 34 32 00 17 00 00 00 | -19;2-1-1;2-1-3;2-1-15;..42..... |
326e0 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 39 3b 00 02 34 33 00 10 00 00 00 31 | 1;1-1-1;1-1-15;2-1-19;..43.....1 |
32700 | 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 4b 00 00 00 43 6c 43 | 5;1-1-1;2-1-1;....smiles.K...ClC |
32720 | 43 4e 28 63 31 63 63 63 28 63 63 31 29 43 43 28 3d 4f 29 4f 43 31 43 43 43 32 28 43 28 3d 43 43 | CN(c1ccc(cc1)CC(=O)OC1CCC2(C(=CC |
32740 | 43 33 43 32 43 43 43 32 28 43 33 43 43 43 32 43 28 43 43 43 43 28 43 29 43 29 43 29 43 29 43 31 | C3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1 |
32760 | 29 43 29 43 43 43 6c 00 02 69 6e 63 68 69 00 c6 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 39 48 | )C)CCCl..inchi.....InChI=1S/C39H |
32780 | 35 39 43 6c 32 4e 4f 32 2f 63 31 2d 32 37 28 32 29 37 2d 36 2d 38 2d 32 38 28 33 29 33 34 2d 31 | 59Cl2NO2/c1-27(2)7-6-8-28(3)34-1 |
327a0 | 35 2d 31 36 2d 33 35 2d 33 33 2d 31 34 2d 31 31 2d 33 30 2d 32 36 2d 33 32 28 31 37 2d 31 39 2d | 5-16-35-33-14-11-30-26-32(17-19- |
327c0 | 33 38 28 33 30 2c 34 29 33 36 28 33 33 29 31 38 2d 32 30 2d 33 39 28 33 34 2c 33 35 29 35 29 34 | 38(30,4)36(33)18-20-39(34,35)5)4 |
327e0 | 34 2d 33 37 28 34 33 29 32 35 2d 32 39 2d 39 2d 31 32 2d 33 31 28 31 33 2d 31 30 2d 32 39 29 34 | 4-37(43)25-29-9-12-31(13-10-29)4 |
32800 | 32 28 32 33 2d 32 31 2d 34 30 29 32 34 2d 32 32 2d 34 31 2f 68 39 2d 31 33 2c 32 37 2d 32 38 2c | 2(23-21-40)24-22-41/h9-13,27-28, |
32820 | 33 32 2d 33 36 48 2c 36 2d 38 2c 31 34 2d 32 36 48 32 2c 31 2d 35 48 33 00 09 75 70 64 61 74 65 | 32-36H,6-8,14-26H2,1-5H3..update |
32840 | 64 5f 61 74 00 9b f3 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 99 f3 5e 46 50 01 00 | d_at...^FP....created_at...^FP.. |
32860 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 | ..default_fingerprint_size...... |
32880 | 2b 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 dc 04 77 61 72 6e 69 6e 67 73 00 05 | +...._id.V..g+r.+@....warnings.. |
328a0 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 74 00 00 00 04 4d 50 32 44 00 69 00 00 00 | .....fingerprints.t....MP2D.i... |
328c0 | 02 30 00 0f 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 34 3b 00 02 31 00 15 00 00 00 32 3b 31 | .0.....2;1-1-2;2-1-4;..1.....2;1 |
328e0 | 2d 31 2d 32 3b 31 2d 31 2d 34 3b 32 2d 31 2d 37 3b 00 02 32 00 15 00 00 00 34 3b 31 2d 31 2d 32 | -1-2;1-1-4;2-1-7;..2.....4;1-1-2 |
32900 | 3b 31 2d 31 2d 37 3b 32 2d 31 2d 32 3b 00 02 33 00 0f 00 00 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 | ;1-1-7;2-1-2;..3.....7;1-1-4;2-1 |
32920 | 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 07 00 00 00 43 3d 43 43 23 4e 00 02 69 6e 63 68 69 00 | -2;....smiles.....C=CC#N..inchi. |
32940 | 20 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 48 33 4e 2f 63 31 2d 32 2d 33 2d 34 2f 68 32 48 2c | ....InChI=1S/C3H3N/c1-2-3-4/h2H, |
32960 | 31 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 a0 f3 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 | 1H2..updated_at...^FP....created |
32980 | 5f 61 74 00 9f f3 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...^FP....default_fingerprint |
329a0 | 5f 73 69 7a 65 00 00 00 00 00 00 63 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 dd | _size......c...._id.V..g+r.+@... |
329c0 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 88 01 00 | .warnings.......fingerprints.... |
329e0 | 00 04 4d 50 32 44 00 7d 01 00 00 02 30 00 17 00 00 00 36 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 31 | ..MP2D.}....0.....6;1-1-3;2-1-11 |
32a00 | 3b 32 2d 31 2d 31 38 3b 00 02 31 00 24 00 00 00 33 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 31 3b 31 | ;2-1-18;..1.$...3;1-1-6;1-1-11;1 |
32a20 | 2d 31 2d 31 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 32 00 24 00 00 00 31 31 3b 31 2d | -1-18;2-2-3;2-1-13;..2.$...11;1- |
32a40 | 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 38 3b 00 02 | 2-3;1-1-13;2-1-3;2-1-6;2-1-18;.. |
32a60 | 33 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 34 00 2b 00 00 00 33 3b | 3.....13;1-1-11;2-2-3;..4.+...3; |
32a80 | 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 33 3b 32 2d 31 2d 31 38 | 1-1-3;1-1-11;2-1-3;2-1-13;2-1-18 |
32aa0 | 3b 32 2d 31 2d 31 39 3b 00 02 35 00 2a 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 38 3b 31 | ;2-1-19;..5.*...3;1-1-3;1-1-18;1 |
32ac0 | 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 36 00 24 00 00 | -1-19;2-1-3;2-2-9;2-1-11;..6.$.. |
32ae0 | 00 31 38 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 31 3b 32 2d 31 | .18;1-2-3;2-1-3;2-1-6;2-1-11;2-1 |
32b00 | 2d 31 39 3b 00 02 37 00 1d 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 31 2d 33 | -19;..7.....19;1-1-3;1-2-9;2-1-3 |
32b20 | 3b 32 2d 31 2d 31 38 3b 00 02 38 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 | ;2-1-18;..8.....9;1-1-19;2-1-3;2 |
32b40 | 2d 31 2d 39 3b 00 02 39 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d | -1-9;..9.....9;1-1-19;2-1-3;2-1- |
32b60 | 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 16 00 00 00 4e 3d 63 31 5b 6e 48 5d 63 63 28 73 31 29 4e | 9;....smiles.....N=c1[nH]cc(s1)N |
32b80 | 28 3d 4f 29 3d 4f 00 02 69 6e 63 68 69 00 35 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 48 33 4e | (=O)=O..inchi.5...InChI=1S/C3H3N |
32ba0 | 33 4f 32 53 2f 63 34 2d 33 2d 35 2d 31 2d 32 28 39 2d 33 29 36 28 37 29 38 2f 68 31 48 2c 28 48 | 3O2S/c4-3-5-1-2(9-3)6(7)8/h1H,(H |
32bc0 | 32 2c 34 2c 35 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 a6 f3 5e 46 50 01 00 00 09 63 72 65 61 | 2,4,5)..updated_at...^FP....crea |
32be0 | 74 65 64 5f 61 74 00 a5 f3 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at...^FP....default_fingerpr |
32c00 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 2e 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 | int_size..........._id.V..g+r.+@ |
32c20 | 00 00 de 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 | ....warnings.......fingerprints. |
32c40 | 55 01 00 00 04 4d 50 32 44 00 4a 01 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 | U....MP2D.J....0.....9;1-1-2;2-1 |
32c60 | 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 00 23 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b | -1;2-1-28;..1.#...2;1-1-1;1-1-9; |
32c80 | 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 02 32 00 1d 00 00 00 32 38 3b 31 | 1-1-28;2-1-2;2-1-28;..2.....28;1 |
32ca0 | 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 33 00 22 00 00 00 | -2-2;2-1-1;2-2-9;2-1-28;..3."... |
32cc0 | 32 3b 31 2d 31 2d 39 3b 31 2d 32 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 | 2;1-1-9;1-2-28;2-1-1;2-1-2;2-1-6 |
32ce0 | 3b 00 02 34 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 35 00 29 00 00 00 | ;..4.....9;1-1-2;2-2-28;..5.)... |
32d00 | 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 39 | 28;1-1-1;1-1-2;1-1-6;2-1-2;2-2-9 |
32d20 | 3b 32 2d 31 2d 32 38 3b 00 02 36 00 29 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 32 38 3b 32 | ;2-1-28;..6.)...1;1-1-2;1-1-28;2 |
32d40 | 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 37 00 1c 00 00 00 | -1-2;2-1-6;2-1-9;2-1-28;..7..... |
32d60 | 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 38 00 10 | 6;1-1-9;1-1-28;2-1-1;2-1-2;..8.. |
32d80 | 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 13 00 00 | ...9;1-1-6;2-1-28;....smiles.... |
32da0 | 00 4f 43 31 3d 4e 43 28 3d 4f 29 4e 28 43 31 29 4e 3d 4f 00 02 69 6e 63 68 69 00 36 00 00 00 49 | .OC1=NC(=O)N(C1)N=O..inchi.6...I |
32dc0 | 6e 43 68 49 3d 31 53 2f 43 33 48 33 4e 33 4f 33 2f 63 37 2d 32 2d 31 2d 36 28 35 2d 39 29 33 28 | nChI=1S/C3H3N3O3/c7-2-1-6(5-9)3( |
32de0 | 38 29 34 2d 32 2f 68 31 48 32 2c 28 48 2c 34 2c 37 2c 38 29 00 09 75 70 64 61 74 65 64 5f 61 74 | 8)4-2/h1H2,(H,4,7,8)..updated_at |
32e00 | 00 ac f3 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 aa f3 5e 46 50 01 00 00 10 64 65 | ...^FP....created_at...^FP....de |
32e20 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 54 01 00 00 | fault_fingerprint_size......T... |
32e40 | 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 df 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V..g+r.+@....warnings...... |
32e60 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 95 00 00 00 04 4d 50 32 44 00 8a 00 00 00 02 30 00 10 | .fingerprints......MP2D......0.. |
32e80 | 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d | ...15;1-1-1;2-1-2;..1.....1;1-1- |
32ea0 | 32 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 32 3b 00 02 32 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 | 2;1-1-15;2-1-2;..2.....2;1-1-1;1 |
32ec0 | 2d 31 2d 32 3b 32 2d 32 2d 31 35 3b 00 02 33 00 16 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d | -1-2;2-2-15;..3.....2;1-1-2;1-1- |
32ee0 | 31 35 3b 32 2d 31 2d 31 3b 00 02 34 00 10 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b | 15;2-1-1;..4.....15;1-1-2;2-1-2; |
32f00 | 00 00 00 02 73 6d 69 6c 65 73 00 09 00 00 00 43 6c 43 43 3d 43 43 6c 00 02 69 6e 63 68 69 00 26 | ....smiles.....ClCC=CCl..inchi.& |
32f20 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 48 34 43 6c 32 2f 63 34 2d 32 2d 31 2d 33 2d 35 2f 68 | ...InChI=1S/C3H4Cl2/c4-2-1-3-5/h |
32f40 | 31 2d 32 48 2c 33 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 b1 f3 5e 46 50 01 00 00 09 63 72 | 1-2H,3H2..updated_at...^FP....cr |
32f60 | 65 61 74 65 64 5f 61 74 00 b0 f3 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at...^FP....default_finger |
32f80 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 88 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed | print_size..........._id.V..g+r. |
32fa0 | 2b 40 00 00 e0 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | +@....warnings.......fingerprint |
32fc0 | 73 00 c2 00 00 00 04 4d 50 32 44 00 b7 00 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b | s......MP2D......0.....15;1-1-1; |
32fe0 | 32 2d 31 2d 31 3b 00 02 31 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 | 2-1-1;..1.....1;1-1-1;1-1-15;2-1 |
33000 | 2d 31 3b 32 2d 31 2d 31 34 3b 00 02 32 00 1e 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 34 | -1;2-1-14;..2.....1;1-2-1;1-1-14 |
33020 | 3b 32 2d 31 2d 31 34 3b 32 2d 31 2d 31 35 3b 00 02 33 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | ;2-1-14;2-1-15;..3.....1;1-1-1;1 |
33040 | 2d 31 2d 31 34 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 34 3b 00 02 34 00 10 00 00 00 31 34 3b 31 2d | -1-14;2-1-1;2-1-14;..4.....14;1- |
33060 | 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 35 00 10 00 00 00 31 34 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 | 1-1;2-1-1;..5.....14;1-1-1;2-2-1 |
33080 | 3b 00 00 00 02 73 6d 69 6c 65 73 00 0c 00 00 00 43 6c 43 43 28 43 42 72 29 42 72 00 02 69 6e 63 | ;....smiles.....ClCC(CBr)Br..inc |
330a0 | 68 69 00 2a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 48 35 42 72 32 43 6c 2f 63 34 2d 31 2d 33 | hi.*...InChI=1S/C3H5Br2Cl/c4-1-3 |
330c0 | 28 35 29 32 2d 36 2f 68 33 48 2c 31 2d 32 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 b6 f3 5e | (5)2-6/h3H,1-2H2..updated_at...^ |
330e0 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 b5 f3 5e 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at...^FP....defaul |
33100 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 7f 01 00 00 07 5f 69 64 | t_fingerprint_size..........._id |
33120 | 00 56 16 1c 67 2b 72 ed 2b 40 00 00 e1 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..g+r.+@....warnings.......fin |
33140 | 67 65 72 70 72 69 6e 74 73 00 bb 00 00 00 04 4d 50 32 44 00 b0 00 00 00 02 30 00 10 00 00 00 31 | gerprints......MP2D......0.....1 |
33160 | 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | 5;1-1-1;2-1-1;..1.....1;1-1-1;1- |
33180 | 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 32 00 17 00 00 00 31 3b 31 2d 32 2d | 1-15;2-1-1;2-1-15;..2.....1;1-2- |
331a0 | 31 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 31 35 3b 00 02 33 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b | 1;1-1-15;2-2-15;..3.....1;1-1-1; |
331c0 | 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 34 00 10 00 00 00 31 35 3b 31 | 1-1-15;2-1-1;2-1-15;..4.....15;1 |
331e0 | 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 35 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d | -1-1;2-1-1;..5.....15;1-1-1;2-2- |
33200 | 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 0c 00 00 00 43 6c 43 43 28 43 43 6c 29 43 6c 00 02 69 6e | 1;....smiles.....ClCC(CCl)Cl..in |
33220 | 63 68 69 00 28 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 48 35 43 6c 33 2f 63 34 2d 31 2d 33 28 | chi.(...InChI=1S/C3H5Cl3/c4-1-3( |
33240 | 36 29 32 2d 35 2f 68 33 48 2c 31 2d 32 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 bb f3 5e 46 | 6)2-5/h3H,1-2H2..updated_at...^F |
33260 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ba f3 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at...^FP....default |
33280 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 6c 01 00 00 07 5f 69 64 00 | _fingerprint_size......l...._id. |
332a0 | 56 16 1c 67 2b 72 ed 2b 40 00 00 e2 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..g+r.+@....warnings.......fing |
332c0 | 65 72 70 72 69 6e 74 73 00 ab 00 00 00 04 4d 50 32 44 00 a0 00 00 00 02 30 00 10 00 00 00 31 35 | erprints......MP2D......0.....15 |
332e0 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | ;1-1-1;2-1-1;..1.....1;1-1-1;1-1 |
33300 | 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 00 22 00 00 00 31 3b 31 2d 32 2d 31 3b | -15;2-1-1;2-1-8;..2."...1;1-2-1; |
33320 | 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 35 3b 00 02 33 00 1b 00 00 | 1-1-8;2-1-1;2-1-8;2-1-15;..3.... |
33340 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 00 0f | .1;1-1-1;1-1-8;2-2-1;2-1-8;..4.. |
33360 | 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 09 00 00 00 | ...8;1-2-1;2-3-1;....smiles..... |
33380 | 43 6c 43 43 31 43 4f 31 00 02 69 6e 63 68 69 00 28 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 48 | ClCC1CO1..inchi.(...InChI=1S/C3H |
333a0 | 35 43 6c 4f 2f 63 34 2d 31 2d 33 2d 32 2d 35 2d 33 2f 68 33 48 2c 31 2d 32 48 32 00 09 75 70 64 | 5ClO/c4-1-3-2-5-3/h3H,1-2H2..upd |
333c0 | 61 74 65 64 5f 61 74 00 c0 f3 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 bf f3 5e 46 | ated_at...^FP....created_at...^F |
333e0 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
33400 | 00 00 00 b2 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 e3 04 77 61 72 6e 69 6e 67 | ........_id.V..g+r.+@....warning |
33420 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ed 00 00 00 04 4d 50 32 44 00 e2 | s.......fingerprints......MP2D.. |
33440 | 00 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 00 1c 00 00 | ....0.....1;1-1-1;2-1-19;..1.... |
33460 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 34 3b 32 2d 31 2d 36 3b 00 02 32 00 | .1;1-1-1;1-1-19;2-1-4;2-1-6;..2. |
33480 | 28 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 34 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 | (...19;1-1-1;1-1-4;1-1-6;2-1-1;2 |
334a0 | 2d 31 2d 37 3b 32 2d 31 2d 39 3b 00 02 33 00 1c 00 00 00 34 3b 31 2d 31 2d 37 3b 31 2d 31 2d 31 | -1-7;2-1-9;..3.....4;1-1-7;1-1-1 |
334c0 | 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 34 00 10 00 00 00 37 3b 31 2d 31 2d 34 3b 32 2d | 9;2-1-1;2-1-6;..4.....7;1-1-4;2- |
334e0 | 31 2d 31 39 3b 00 02 35 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d | 1-19;..5.....6;1-1-9;1-1-19;2-1- |
33500 | 31 3b 32 2d 31 2d 34 3b 00 02 36 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 | 1;2-1-4;..6.....9;1-1-6;2-1-19;. |
33520 | 00 00 02 73 6d 69 6c 65 73 00 0c 00 00 00 43 43 4e 28 43 23 4e 29 4e 3d 4f 00 02 69 6e 63 68 69 | ...smiles.....CCN(C#N)N=O..inchi |
33540 | 00 29 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 48 35 4e 33 4f 2f 63 31 2d 32 2d 36 28 33 2d 34 | .)...InChI=1S/C3H5N3O/c1-2-6(3-4 |
33560 | 29 35 2d 37 2f 68 32 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 c5 f3 5e 46 50 01 | )5-7/h2H2,1H3..updated_at...^FP. |
33580 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c4 f3 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at...^FP....default_f |
335a0 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 41 02 00 00 07 5f 69 64 00 56 16 | ingerprint_size......A...._id.V. |
335c0 | 1c 67 2b 72 ed 2b 40 00 00 e4 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | .g+r.+@....warnings.......finger |
335e0 | 70 72 69 6e 74 73 00 60 01 00 00 04 4d 50 32 44 00 55 01 00 00 02 30 00 10 00 00 00 39 3b 31 2d | prints.`....MP2D.U....0.....9;1- |
33600 | 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 | 1-6;2-1-19;..1.....6;1-1-9;1-1-1 |
33620 | 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 28 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 | 9;2-1-1;2-1-2;..2.(...19;1-1-1;1 |
33640 | 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 32 2d 39 3b 00 02 33 | -1-2;1-1-6;2-1-2;2-1-6;2-2-9;..3 |
33660 | 00 22 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b | ."...2;1-1-6;1-1-9;1-1-19;2-1-1; |
33680 | 32 2d 31 2d 36 3b 00 02 34 00 16 00 00 00 36 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d | 2-1-6;..4.....6;1-1-2;2-1-9;2-1- |
336a0 | 31 39 3b 00 02 35 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b | 19;..5.....9;1-1-2;2-1-6;2-1-19; |
336c0 | 00 02 36 00 23 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 31 | ..6.#...1;1-1-2;1-1-19;2-1-2;2-1 |
336e0 | 2d 36 3b 32 2d 32 2d 33 32 3b 00 02 37 00 17 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 | -6;2-2-32;..7.....2;1-1-1;1-2-32 |
33700 | 3b 32 2d 31 2d 31 39 3b 00 02 38 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 | ;2-1-19;..8.....32;1-1-2;2-1-1;2 |
33720 | 2d 31 2d 33 32 3b 00 02 39 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 | -1-32;..9.....32;1-1-2;2-1-1;2-1 |
33740 | 2d 33 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 14 00 00 00 4f 3d 4e 4e 28 43 28 3d 4e 29 4f 29 43 | -32;....smiles.....O=NN(C(=N)O)C |
33760 | 43 28 3d 4f 29 4f 00 02 69 6e 63 68 69 00 3d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 48 35 4e | C(=O)O..inchi.=...InChI=1S/C3H5N |
33780 | 33 4f 34 2f 63 34 2d 33 28 39 29 36 28 35 2d 31 30 29 31 2d 32 28 37 29 38 2f 68 31 48 32 2c 28 | 3O4/c4-3(9)6(5-10)1-2(7)8/h1H2,( |
337a0 | 48 32 2c 34 2c 39 29 28 48 2c 37 2c 38 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 cb f3 5e 46 50 | H2,4,9)(H,7,8)..updated_at...^FP |
337c0 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c9 f3 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at...^FP....default_ |
337e0 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 b1 02 00 00 07 5f 69 64 00 56 | fingerprint_size..........._id.V |
33800 | 16 1c 67 2b 72 ed 2b 40 00 00 e5 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..g+r.+@....warnings.......finge |
33820 | 72 70 72 69 6e 74 73 00 c2 01 00 00 04 4d 50 32 44 00 b7 01 00 00 02 30 00 10 00 00 00 39 3b 31 | rprints......MP2D......0.....9;1 |
33840 | 2d 31 2d 31 39 3b 32 2d 32 2d 39 3b 00 02 31 00 10 00 00 00 31 39 3b 31 2d 33 2d 39 3b 32 2d 31 | -1-19;2-2-9;..1.....19;1-3-9;2-1 |
33860 | 2d 31 3b 00 02 32 00 10 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 39 3b 00 02 33 00 1c 00 | -1;..2.....9;1-1-19;2-2-9;..3... |
33880 | 00 00 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 39 3b 00 02 34 | ..9;1-1-1;1-1-19;2-2-1;2-2-9;..4 |
338a0 | 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 39 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 39 3b | .....1;1-2-1;1-1-9;2-2-9;2-1-19; |
338c0 | 00 02 35 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d | ..5."...1;1-1-1;1-1-9;2-1-1;2-1- |
338e0 | 39 3b 32 2d 31 2d 31 39 3b 00 02 36 00 1c 00 00 00 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b | 9;2-1-19;..6.....9;1-1-1;1-1-19; |
33900 | 32 2d 31 2d 31 3b 32 2d 32 2d 39 3b 00 02 37 00 10 00 00 00 31 39 3b 31 2d 33 2d 39 3b 32 2d 31 | 2-1-1;2-2-9;..7.....19;1-3-9;2-1 |
33920 | 2d 31 3b 00 02 38 00 10 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 39 3b 00 02 39 00 10 00 | -1;..8.....9;1-1-19;2-2-9;..9... |
33940 | 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 39 3b 00 02 31 30 00 22 00 00 00 31 3b 31 2d 31 2d | ..9;1-1-19;2-2-9;..10."...1;1-1- |
33960 | 31 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 | 1;1-1-9;2-1-1;2-1-9;2-1-19;..11. |
33980 | 1c 00 00 00 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 39 3b 00 | ....9;1-1-1;1-1-19;2-1-1;2-2-9;. |
339a0 | 02 31 32 00 10 00 00 00 31 39 3b 31 2d 33 2d 39 3b 32 2d 31 2d 31 3b 00 02 31 33 00 10 00 00 00 | .12.....19;1-3-9;2-1-1;..13..... |
339c0 | 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 39 3b 00 02 31 34 00 10 00 00 00 39 3b 31 2d 31 2d 31 39 | 9;1-1-19;2-2-9;..14.....9;1-1-19 |
339e0 | 3b 32 2d 32 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 1e 00 00 00 4f 3d 4e 28 3d 4f 29 4f 43 28 | ;2-2-9;....smiles.....O=N(=O)OC( |
33a00 | 43 4f 4e 28 3d 4f 29 3d 4f 29 43 4f 4e 28 3d 4f 29 3d 4f 00 02 69 6e 63 68 69 00 41 00 00 00 49 | CON(=O)=O)CON(=O)=O..inchi.A...I |
33a20 | 6e 43 68 49 3d 31 53 2f 43 33 48 35 4e 33 4f 39 2f 63 37 2d 34 28 38 29 31 33 2d 31 2d 33 28 31 | nChI=1S/C3H5N3O9/c7-4(8)13-1-3(1 |
33a40 | 35 2d 36 28 31 31 29 31 32 29 32 2d 31 34 2d 35 28 39 29 31 30 2f 68 33 48 2c 31 2d 32 48 32 00 | 5-6(11)12)2-14-5(9)10/h3H,1-2H2. |
33a60 | 09 75 70 64 61 74 65 64 5f 61 74 00 d0 f3 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at...^FP....created_at. |
33a80 | cf f3 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | ..^FP....default_fingerprint_siz |
33aa0 | 65 00 00 00 00 00 00 62 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 e6 04 77 61 72 | e......b...._id.V..g+r.+@....war |
33ac0 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 9c 00 00 00 04 4d 50 | nings.......fingerprints......MP |
33ae0 | 32 44 00 91 00 00 00 02 30 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d | 2D......0.....9;1-1-2;2-1-2;2-1- |
33b00 | 36 3b 00 02 31 00 1b 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d | 6;..1.....2;1-1-2;1-1-6;1-1-9;2- |
33b20 | 31 2d 32 3b 00 02 32 00 15 00 00 00 36 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b | 1-2;..2.....6;1-1-2;2-1-2;2-1-9; |
33b40 | 00 02 33 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 34 00 | ..3.....2;1-2-2;2-1-6;2-1-9;..4. |
33b60 | 0f 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 0a 00 00 | ....2;1-1-2;2-1-2;....smiles.... |
33b80 | 00 4f 43 28 3d 4e 29 43 3d 43 00 02 69 6e 63 68 69 00 2c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | .OC(=N)C=C..inchi.,...InChI=1S/C |
33ba0 | 33 48 35 4e 4f 2f 63 31 2d 32 2d 33 28 34 29 35 2f 68 32 48 2c 31 48 32 2c 28 48 32 2c 34 2c 35 | 3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5 |
33bc0 | 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 d5 f3 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | )..updated_at...^FP....created_a |
33be0 | 74 00 d4 f3 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t...^FP....default_fingerprint_s |
33c00 | 69 7a 65 00 00 00 00 00 00 11 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 e7 04 77 | ize..........._id.V..g+r.+@....w |
33c20 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 3b 01 00 00 04 | arnings.......fingerprints.;.... |
33c40 | 4d 50 32 44 00 30 01 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d | MP2D.0....0.....9;1-1-2;2-1-6;2- |
33c60 | 31 2d 31 39 3b 00 02 31 00 22 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 | 1-19;..1."...2;1-1-6;1-1-9;1-1-1 |
33c80 | 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 32 00 16 00 00 00 36 3b 31 2d 31 2d 32 3b 32 2d | 9;2-1-1;2-1-6;..2.....6;1-1-2;2- |
33ca0 | 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 33 00 28 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 1-9;2-1-19;..3.(...19;1-1-1;1-1- |
33cc0 | 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 32 2d 39 3b 00 02 34 00 1c 00 | 2;1-1-6;2-1-1;2-1-6;2-2-9;..4... |
33ce0 | 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 35 | ..6;1-1-9;1-1-19;2-1-1;2-1-2;..5 |
33d00 | 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 36 00 23 00 00 00 31 3b 31 2d | .....9;1-1-6;2-1-19;..6.#...1;1- |
33d20 | 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 36 3b 00 02 | 1-1;1-1-19;2-1-2;2-1-6;2-1-16;.. |
33d40 | 37 00 17 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 36 3b 32 2d 31 2d 31 39 3b 00 02 38 00 | 7.....1;1-1-1;1-1-16;2-1-19;..8. |
33d60 | 10 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 10 00 | ....16;1-1-1;2-1-1;....smiles... |
33d80 | 00 00 4f 43 28 3d 4e 29 4e 28 4e 3d 4f 29 43 43 46 00 02 69 6e 63 68 69 00 36 00 00 00 49 6e 43 | ..OC(=N)N(N=O)CCF..inchi.6...InC |
33da0 | 68 49 3d 31 53 2f 43 33 48 36 46 4e 33 4f 32 2f 63 34 2d 31 2d 32 2d 37 28 36 2d 39 29 33 28 35 | hI=1S/C3H6FN3O2/c4-1-2-7(6-9)3(5 |
33dc0 | 29 38 2f 68 31 2d 32 48 32 2c 28 48 32 2c 35 2c 38 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 da | )8/h1-2H2,(H2,5,8)..updated_at.. |
33de0 | f3 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d9 f3 5e 46 50 01 00 00 10 64 65 66 61 | .^FP....created_at...^FP....defa |
33e00 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 b8 01 00 00 07 5f | ult_fingerprint_size..........._ |
33e20 | 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 e8 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..g+r.+@....warnings.......f |
33e40 | 69 6e 67 65 72 70 72 69 6e 74 73 00 ec 00 00 00 04 4d 50 32 44 00 e1 00 00 00 02 30 00 17 00 00 | ingerprints......MP2D......0.... |
33e60 | 00 31 30 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 00 1d 00 00 00 32 | .10;1-1-2;2-1-6;2-1-19;..1.....2 |
33e80 | 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 32 00 23 | ;1-1-6;1-1-10;1-1-19;2-2-1;..2.# |
33ea0 | 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 32 2d | ...6;1-1-1;1-1-2;2-1-1;2-1-10;2- |
33ec0 | 31 2d 31 39 3b 00 02 33 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 | 1-19;..3.....1;1-1-1;1-1-6;2-1-2 |
33ee0 | 3b 32 2d 31 2d 31 39 3b 00 02 34 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 | ;2-1-19;..4.....1;1-1-1;1-1-19;2 |
33f00 | 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 35 00 23 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -1-2;2-1-6;..5.#...19;1-1-1;1-1- |
33f20 | 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 30 3b 00 00 00 02 73 6d 69 6c 65 73 00 | 2;2-1-1;2-1-6;2-1-10;....smiles. |
33f40 | 0a 00 00 00 53 43 31 3d 4e 43 43 4e 31 00 02 69 6e 63 68 69 00 32 00 00 00 49 6e 43 68 49 3d 31 | ....SC1=NCCN1..inchi.2...InChI=1 |
33f60 | 53 2f 43 33 48 36 4e 32 53 2f 63 36 2d 33 2d 34 2d 31 2d 32 2d 35 2d 33 2f 68 31 2d 32 48 32 2c | S/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2, |
33f80 | 28 48 32 2c 34 2c 35 2c 36 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 df f3 5e 46 50 01 00 00 09 | (H2,4,5,6)..updated_at...^FP.... |
33fa0 | 63 72 65 61 74 65 64 5f 61 74 00 de f3 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at...^FP....default_fing |
33fc0 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 5d 02 00 00 07 5f 69 64 00 56 16 1c 67 2b | erprint_size......]...._id.V..g+ |
33fe0 | 72 ed 2b 40 00 00 e9 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.+@....warnings.......fingerpri |
34000 | 6e 74 73 00 7a 01 00 00 04 4d 50 32 44 00 6f 01 00 00 02 30 00 10 00 00 00 36 3b 31 2d 31 2d 33 | nts.z....MP2D.o....0.....6;1-1-3 |
34020 | 3b 32 2d 32 2d 31 31 3b 00 02 31 00 1d 00 00 00 33 3b 31 2d 31 2d 36 3b 31 2d 32 2d 31 31 3b 32 | ;2-2-11;..1.....3;1-1-6;1-2-11;2 |
34040 | 2d 32 2d 33 3b 32 2d 32 2d 31 33 3b 00 02 32 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 | -2-3;2-2-13;..2.....11;1-2-3;1-1 |
34060 | 2d 31 33 3b 32 2d 32 2d 36 3b 32 2d 32 2d 31 31 3b 00 02 33 00 11 00 00 00 31 33 3b 31 2d 31 2d | -13;2-2-6;2-2-11;..3.....13;1-1- |
34080 | 31 31 3b 32 2d 32 2d 33 3b 00 02 34 00 1d 00 00 00 33 3b 31 2d 31 2d 36 3b 31 2d 32 2d 31 31 3b | 11;2-2-3;..4.....3;1-1-6;1-2-11; |
340a0 | 32 2d 32 2d 33 3b 32 2d 32 2d 31 33 3b 00 02 35 00 10 00 00 00 36 3b 31 2d 31 2d 33 3b 32 2d 32 | 2-2-3;2-2-13;..5.....6;1-1-3;2-2 |
340c0 | 2d 31 31 3b 00 02 36 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 32 2d | -11;..6.....11;1-2-3;1-1-13;2-2- |
340e0 | 36 3b 32 2d 32 2d 31 31 3b 00 02 37 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 | 6;2-2-11;..7.....13;1-1-11;2-2-3 |
34100 | 3b 00 02 38 00 1d 00 00 00 33 3b 31 2d 31 2d 36 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d | ;..8.....3;1-1-6;1-2-11;2-2-3;2- |
34120 | 32 2d 31 33 3b 00 02 39 00 10 00 00 00 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 30 | 2-13;..9.....6;1-1-3;2-2-11;..10 |
34140 | 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 32 2d 36 3b 32 2d 32 2d 31 | .....11;1-2-3;1-1-13;2-2-6;2-2-1 |
34160 | 31 3b 00 02 31 31 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 00 00 02 73 | 1;..11.....13;1-1-11;2-2-3;....s |
34180 | 6d 69 6c 65 73 00 1c 00 00 00 4e 3d 63 31 5b 6e 48 5d 63 28 3d 4e 29 5b 6e 48 5d 63 28 3d 4e 29 | miles.....N=c1[nH]c(=N)[nH]c(=N) |
341a0 | 5b 6e 48 5d 31 00 02 69 6e 63 68 69 00 37 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 48 36 4e 36 | [nH]1..inchi.7...InChI=1S/C3H6N6 |
341c0 | 2f 63 34 2d 31 2d 37 2d 32 28 35 29 39 2d 33 28 36 29 38 2d 31 2f 68 28 48 36 2c 34 2c 35 2c 36 | /c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6 |
341e0 | 2c 37 2c 38 2c 39 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 e5 f3 5e 46 50 01 00 00 09 63 72 65 | ,7,8,9)..updated_at...^FP....cre |
34200 | 61 74 65 64 5f 61 74 00 e4 f3 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at...^FP....default_fingerp |
34220 | 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 43 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b | rint_size......C...._id.V..g+r.+ |
34240 | 40 00 00 ea 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 | @....warnings.......fingerprints |
34260 | 00 86 00 00 00 04 4d 50 32 44 00 7b 00 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d | ......MP2D.{....0.....1;1-1-1;2- |
34280 | 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b | 1-1;2-1-8;..1.....1;1-2-1;1-1-8; |
342a0 | 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 2-1-1;2-1-8;..2.....1;1-1-1;1-1- |
342c0 | 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d | 8;2-2-1;2-1-8;..3.....8;1-2-1;2- |
342e0 | 33 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 07 00 00 00 43 43 31 43 4f 31 00 02 69 6e 63 68 69 | 3-1;....smiles.....CC1CO1..inchi |
34300 | 00 26 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 48 36 4f 2f 63 31 2d 33 2d 32 2d 34 2d 33 2f 68 | .&...InChI=1S/C3H6O/c1-3-2-4-3/h |
34320 | 33 48 2c 32 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 ea f3 5e 46 50 01 00 00 09 | 3H,2H2,1H3..updated_at...^FP.... |
34340 | 63 72 65 61 74 65 64 5f 61 74 00 e8 f3 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at...^FP....default_fing |
34360 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 63 01 00 00 07 5f 69 64 00 56 16 1c 67 2b | erprint_size......c...._id.V..g+ |
34380 | 72 ed 2b 40 00 00 eb 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.+@....warnings.......fingerpri |
343a0 | 6e 74 73 00 a2 00 00 00 04 4d 50 32 44 00 97 00 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 | nts......MP2D......0.....8;1-1-1 |
343c0 | 3b 32 2d 31 2d 31 3b 00 02 31 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 | ;2-1-1;..1.....1;1-1-1;1-1-8;2-1 |
343e0 | 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 | -1;2-1-8;..2.....1;1-2-1;1-1-8;2 |
34400 | 2d 31 2d 31 3b 32 2d 32 2d 38 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 | -1-1;2-2-8;..3.....1;1-1-1;1-1-8 |
34420 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 | ;2-2-1;2-1-8;..4.....8;1-2-1;2-3 |
34440 | 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 08 00 00 00 4f 43 43 31 43 4f 31 00 02 69 6e 63 68 69 | -1;....smiles.....OCC1CO1..inchi |
34460 | 00 29 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 48 36 4f 32 2f 63 34 2d 31 2d 33 2d 32 2d 35 2d | .)...InChI=1S/C3H6O2/c4-1-3-2-5- |
34480 | 33 2f 68 33 2d 34 48 2c 31 2d 32 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 ef f3 5e 46 50 01 | 3/h3-4H,1-2H2..updated_at...^FP. |
344a0 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ed f3 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at...^FP....default_f |
344c0 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 ea 01 00 00 07 5f 69 64 00 56 16 | ingerprint_size..........._id.V. |
344e0 | 1c 67 2b 72 ed 2b 40 00 00 ec 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | .g+r.+@....warnings.......finger |
34500 | 70 72 69 6e 74 73 00 16 01 00 00 04 4d 50 32 44 00 0b 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d | prints......MP2D......0.....1;1- |
34520 | 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 | 1-1;2-1-19;..1.....1;1-1-1;1-1-1 |
34540 | 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 32 00 28 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 | 9;2-1-2;2-1-6;..2.(...19;1-1-1;1 |
34560 | 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 32 2d 39 3b 00 02 33 | -1-2;1-1-6;2-1-1;2-1-6;2-2-9;..3 |
34580 | 00 22 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b | ."...2;1-1-6;1-1-9;1-1-19;2-1-1; |
345a0 | 32 2d 31 2d 36 3b 00 02 34 00 16 00 00 00 36 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d | 2-1-6;..4.....6;1-1-2;2-1-9;2-1- |
345c0 | 31 39 3b 00 02 35 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b | 19;..5.....9;1-1-2;2-1-6;2-1-19; |
345e0 | 00 02 36 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 | ..6.....6;1-1-9;1-1-19;2-1-1;2-1 |
34600 | 2d 32 3b 00 02 37 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d | -2;..7.....9;1-1-6;2-1-19;....sm |
34620 | 69 6c 65 73 00 0f 00 00 00 43 43 4e 28 43 28 3d 4e 29 4f 29 4e 3d 4f 00 02 69 6e 63 68 69 00 35 | iles.....CCN(C(=N)O)N=O..inchi.5 |
34640 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 48 37 4e 33 4f 32 2f 63 31 2d 32 2d 36 28 35 2d 38 29 | ...InChI=1S/C3H7N3O2/c1-2-6(5-8) |
34660 | 33 28 34 29 37 2f 68 32 48 32 2c 31 48 33 2c 28 48 32 2c 34 2c 37 29 00 09 75 70 64 61 74 65 64 | 3(4)7/h2H2,1H3,(H2,4,7)..updated |
34680 | 5f 61 74 00 f4 f3 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f2 f3 5e 46 50 01 00 00 | _at...^FP....created_at...^FP... |
346a0 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 10 | .default_fingerprint_size....... |
346c0 | 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 ed 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..g+r.+@....warnings... |
346e0 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 38 01 00 00 04 4d 50 32 44 00 2d 01 00 00 02 | ....fingerprints.8....MP2D.-.... |
34700 | 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 16 00 00 00 31 3b 31 2d | 0.....8;1-1-1;2-1-1;..1.....1;1- |
34720 | 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 39 3b 00 02 32 00 22 00 00 00 31 3b 31 2d 31 2d 31 | 1-1;1-1-8;2-1-19;..2."...1;1-1-1 |
34740 | 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 33 00 28 00 | ;1-1-19;2-1-2;2-1-6;2-1-8;..3.(. |
34760 | 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 | ..19;1-1-1;1-1-2;1-1-6;2-1-1;2-1 |
34780 | 2d 36 3b 32 2d 32 2d 39 3b 00 02 34 00 22 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 31 | -6;2-2-9;..4."...2;1-1-6;1-1-9;1 |
347a0 | 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 35 00 16 00 00 00 36 3b 31 2d 31 2d | -1-19;2-1-1;2-1-6;..5.....6;1-1- |
347c0 | 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 36 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 | 2;2-1-9;2-1-19;..6.....9;1-1-2;2 |
347e0 | 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 37 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d | -1-6;2-1-19;..7.....6;1-1-9;1-1- |
34800 | 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 38 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 | 19;2-1-1;2-1-2;..8.....9;1-1-6;2 |
34820 | 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 10 00 00 00 4f 43 43 4e 28 43 28 3d 4e 29 4f | -1-19;....smiles.....OCCN(C(=N)O |
34840 | 29 4e 3d 4f 00 02 69 6e 63 68 69 00 38 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 48 37 4e 33 4f | )N=O..inchi.8...InChI=1S/C3H7N3O |
34860 | 33 2f 63 34 2d 33 28 38 29 36 28 35 2d 39 29 31 2d 32 2d 37 2f 68 37 48 2c 31 2d 32 48 32 2c 28 | 3/c4-3(8)6(5-9)1-2-7/h7H,1-2H2,( |
34880 | 48 32 2c 34 2c 38 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 f9 f3 5e 46 50 01 00 00 09 63 72 65 | H2,4,8)..updated_at...^FP....cre |
348a0 | 61 74 65 64 5f 61 74 00 f7 f3 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at...^FP....default_fingerp |
348c0 | 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 54 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b | rint_size......T...._id.V..g+r.+ |
348e0 | 40 00 00 ee 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 | @....warnings.......fingerprints |
34900 | 00 96 00 00 00 04 4d 50 32 44 00 8b 00 00 00 02 30 00 0f 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d | ......MP2D......0.....9;1-1-6;2- |
34920 | 31 2d 32 3b 00 02 31 00 15 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b | 1-2;..1.....6;1-1-2;1-1-9;2-2-1; |
34940 | 00 02 32 00 15 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 33 00 | ..2.....2;1-2-1;1-1-6;2-1-9;..3. |
34960 | 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 34 00 15 00 00 00 | ....1;1-1-2;2-1-1;2-1-6;..4..... |
34980 | 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 09 | 1;1-1-2;2-1-1;2-1-6;....smiles.. |
349a0 | 00 00 00 4f 4e 3d 43 28 43 29 43 00 02 69 6e 63 68 69 00 25 00 00 00 49 6e 43 68 49 3d 31 53 2f | ...ON=C(C)C..inchi.%...InChI=1S/ |
349c0 | 43 33 48 37 4e 4f 2f 63 31 2d 33 28 32 29 34 2d 35 2f 68 35 48 2c 31 2d 32 48 33 00 09 75 70 64 | C3H7NO/c1-3(2)4-5/h5H,1-2H3..upd |
349e0 | 61 74 65 64 5f 61 74 00 fd f3 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 fc f3 5e 46 | ated_at...^FP....created_at...^F |
34a00 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
34a20 | 00 00 00 82 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 ef 04 77 61 72 6e 69 6e 67 | ........_id.V..g+r.+@....warning |
34a40 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b8 00 00 00 04 4d 50 32 44 00 ad | s.......fingerprints......MP2D.. |
34a60 | 00 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 31 00 15 00 00 00 | ....0.....1;1-1-1;2-1-9;..1..... |
34a80 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 00 02 32 00 21 00 00 00 39 3b 31 2d | 1;1-1-1;1-1-9;2-1-2;..2.!...9;1- |
34aa0 | 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 33 00 | 1-1;1-1-2;2-1-1;2-1-6;2-1-9;..3. |
34ac0 | 15 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 32 2d 39 3b 32 2d 31 2d 31 3b 00 02 34 00 0f 00 00 00 | ....2;1-1-6;1-2-9;2-1-1;..4..... |
34ae0 | 36 3b 31 2d 31 2d 32 3b 32 2d 32 2d 39 3b 00 02 35 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d | 6;1-1-2;2-2-9;..5.....9;1-1-2;2- |
34b00 | 31 2d 36 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 0a 00 00 00 43 43 4f 43 28 3d 4e | 1-6;2-1-9;....smiles.....CCOC(=N |
34b20 | 29 4f 00 02 69 6e 63 68 69 00 30 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 48 37 4e 4f 32 2f 63 | )O..inchi.0...InChI=1S/C3H7NO2/c |
34b40 | 31 2d 32 2d 36 2d 33 28 34 29 35 2f 68 32 48 32 2c 31 48 33 2c 28 48 32 2c 34 2c 35 29 00 09 75 | 1-2-6-3(4)5/h2H2,1H3,(H2,4,5)..u |
34b60 | 70 64 61 74 65 64 5f 61 74 00 02 f4 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 01 f4 | pdated_at...^FP....created_at... |
34b80 | 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | ^FP....default_fingerprint_size. |
34ba0 | 00 00 00 00 00 81 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 f0 04 77 61 72 6e 69 | .........._id.V..g+r.+@....warni |
34bc0 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 be 00 00 00 04 4d 50 32 44 | ngs.......fingerprints......MP2D |
34be0 | 00 b3 00 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 | ......0.....1;1-1-19;2-1-1;2-1-6 |
34c00 | 3b 00 02 31 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d | ;..1.....19;1-2-1;1-1-6;2-1-1;2- |
34c20 | 31 2d 39 3b 00 02 32 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 | 1-9;..2.....6;1-1-9;1-1-19;2-2-1 |
34c40 | 3b 00 02 33 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 34 00 1c 00 00 00 | ;..3.....9;1-1-6;2-1-19;..4..... |
34c60 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 35 00 10 | 1;1-1-1;1-1-19;2-1-1;2-1-6;..5.. |
34c80 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 0a 00 00 | ...1;1-1-1;2-1-19;....smiles.... |
34ca0 | 00 43 4e 28 4e 3d 4f 29 43 43 00 02 69 6e 63 68 69 00 29 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | .CN(N=O)CC..inchi.)...InChI=1S/C |
34cc0 | 33 48 38 4e 32 4f 2f 63 31 2d 33 2d 35 28 32 29 34 2d 36 2f 68 33 48 32 2c 31 2d 32 48 33 00 09 | 3H8N2O/c1-3-5(2)4-6/h3H2,1-2H3.. |
34ce0 | 75 70 64 61 74 65 64 5f 61 74 00 07 f4 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 06 | updated_at...^FP....created_at.. |
34d00 | f4 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | .^FP....default_fingerprint_size |
34d20 | 00 00 00 00 00 00 aa 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 f1 04 77 61 72 6e | ..........._id.V..g+r.+@....warn |
34d40 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 e0 00 00 00 04 4d 50 32 | ings.......fingerprints......MP2 |
34d60 | 44 00 d5 00 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d | D......0.....1;1-1-19;2-1-1;2-1- |
34d80 | 36 3b 00 02 31 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 | 6;..1.....19;1-2-1;1-1-6;2-1-1;2 |
34da0 | 2d 31 2d 39 3b 00 02 32 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d | -1-9;..2.....6;1-1-9;1-1-19;2-2- |
34dc0 | 31 3b 00 02 33 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 34 00 22 00 00 | 1;..3.....9;1-1-6;2-1-19;..4.".. |
34de0 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d | .1;1-1-1;1-1-19;2-1-1;2-1-6;2-1- |
34e00 | 38 3b 00 02 35 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 39 3b 00 | 8;..5.....1;1-1-1;1-1-8;2-1-19;. |
34e20 | 02 36 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 | .6.....8;1-1-1;2-1-1;....smiles. |
34e40 | 0b 00 00 00 43 4e 28 4e 3d 4f 29 43 43 4f 00 02 69 6e 63 68 69 00 2f 00 00 00 49 6e 43 68 49 3d | ....CN(N=O)CCO..inchi./...InChI= |
34e60 | 31 53 2f 43 33 48 38 4e 32 4f 32 2f 63 31 2d 35 28 34 2d 37 29 32 2d 33 2d 36 2f 68 36 48 2c 32 | 1S/C3H8N2O2/c1-5(4-7)2-3-6/h6H,2 |
34e80 | 2d 33 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 0c f4 5e 46 50 01 00 00 09 63 72 | -3H2,1H3..updated_at...^FP....cr |
34ea0 | 65 61 74 65 64 5f 61 74 00 0b f4 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at...^FP....default_finger |
34ec0 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 b1 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed | print_size..........._id.V..g+r. |
34ee0 | 2b 40 00 00 f2 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | +@....warnings.......fingerprint |
34f00 | 73 00 ed 00 00 00 04 4d 50 32 44 00 e2 00 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 | s......MP2D......0.....1;1-1-8;2 |
34f20 | 2d 31 2d 31 32 3b 00 02 31 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 | -1-12;..1."...8;1-1-1;1-1-12;2-1 |
34f40 | 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 00 1c 00 00 00 31 32 3b 31 2d 31 2d 31 3b | -1;2-1-8;2-1-9;..2.....12;1-1-1; |
34f60 | 31 2d 32 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 00 02 33 00 16 00 00 00 39 3b 31 2d 31 2d | 1-2-8;1-1-9;2-2-1;..3.....9;1-1- |
34f80 | 31 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 00 02 34 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 | 12;2-1-1;2-2-8;..4."...8;1-1-1;1 |
34fa0 | 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 00 10 00 00 00 | -1-12;2-1-1;2-1-8;2-1-9;..5..... |
34fc0 | 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 36 00 16 00 00 00 31 3b 31 2d 31 2d 31 32 3b | 1;1-1-8;2-1-12;..6.....1;1-1-12; |
34fe0 | 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 0d 00 00 00 43 4f 50 28 3d | 2-2-8;2-1-9;....smiles.....COP(= |
35000 | 4f 29 28 4f 43 29 43 00 02 69 6e 63 68 69 00 27 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 48 39 | O)(OC)C..inchi.'...InChI=1S/C3H9 |
35020 | 4f 33 50 2f 63 31 2d 35 2d 37 28 33 2c 34 29 36 2d 32 2f 68 31 2d 33 48 33 00 09 75 70 64 61 74 | O3P/c1-5-7(3,4)6-2/h1-3H3..updat |
35040 | 65 64 5f 61 74 00 12 f4 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 10 f4 5e 46 50 01 | ed_at...^FP....created_at...^FP. |
35060 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
35080 | 00 a4 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 f3 04 77 61 72 6e 69 6e 67 73 00 | ......_id.V..g+r.+@....warnings. |
350a0 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 db 00 00 00 04 4d 50 32 44 00 d0 00 00 | ......fingerprints......MP2D.... |
350c0 | 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 00 1c 00 00 00 31 | ..0.....1;1-1-1;2-1-19;..1.....1 |
350e0 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 32 00 1c 00 | ;1-1-1;1-1-19;2-1-1;2-1-6;..2... |
35100 | 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 | ..19;1-2-1;1-1-6;2-2-1;2-1-9;..3 |
35120 | 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 34 00 10 00 | .....6;1-1-9;1-1-19;2-2-1;..4... |
35140 | 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 35 00 1c 00 00 00 31 3b 31 2d 31 2d 31 | ..9;1-1-6;2-1-19;..5.....1;1-1-1 |
35160 | 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 36 00 10 00 00 00 31 3b 31 2d | ;1-1-19;2-1-1;2-1-6;..6.....1;1- |
35180 | 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 0b 00 00 00 43 43 4e 28 4e 3d | 1-1;2-1-19;....smiles.....CCN(N= |
351a0 | 4f 29 43 43 00 02 69 6e 63 68 69 00 2e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 31 30 4e 32 | O)CC..inchi.....InChI=1S/C4H10N2 |
351c0 | 4f 2f 63 31 2d 33 2d 36 28 34 2d 32 29 35 2d 37 2f 68 33 2d 34 48 32 2c 31 2d 32 48 33 00 09 75 | O/c1-3-6(4-2)5-7/h3-4H2,1-2H3..u |
351e0 | 70 64 61 74 65 64 5f 61 74 00 17 f4 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 16 f4 | pdated_at...^FP....created_at... |
35200 | 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | ^FP....default_fingerprint_size. |
35220 | 00 00 00 00 00 ce 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 f4 04 77 61 72 6e 69 | .........._id.V..g+r.+@....warni |
35240 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 fc 00 00 00 04 4d 50 32 44 | ngs.......fingerprints......MP2D |
35260 | 00 f1 00 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 | ......0.....1;1-1-19;2-1-1;2-1-6 |
35280 | 3b 00 02 31 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d | ;..1.....19;1-2-1;1-1-6;2-1-1;2- |
352a0 | 31 2d 39 3b 00 02 32 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 | 1-9;..2.....6;1-1-9;1-1-19;2-2-1 |
352c0 | 3b 00 02 33 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 34 00 22 00 00 00 | ;..3.....9;1-1-6;2-1-19;..4."... |
352e0 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 | 1;1-1-1;1-1-19;2-2-1;2-1-6;2-1-8 |
35300 | 3b 00 02 35 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 39 3b 00 02 | ;..5.....1;1-2-1;1-1-8;2-1-19;.. |
35320 | 36 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 37 00 15 00 00 00 31 3b 31 2d | 6.....8;1-1-1;2-2-1;..7.....1;1- |
35340 | 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 0e 00 00 00 43 | 1-1;2-1-1;2-1-8;....smiles.....C |
35360 | 4e 28 4e 3d 4f 29 43 43 28 4f 29 43 00 02 69 6e 63 68 69 00 34 00 00 00 49 6e 43 68 49 3d 31 53 | N(N=O)CC(O)C..inchi.4...InChI=1S |
35380 | 2f 43 34 48 31 30 4e 32 4f 32 2f 63 31 2d 34 28 37 29 33 2d 36 28 32 29 35 2d 38 2f 68 34 2c 37 | /C4H10N2O2/c1-4(7)3-6(2)5-8/h4,7 |
353a0 | 48 2c 33 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 1d f4 5e 46 50 01 00 00 | H,3H2,1-2H3..updated_at...^FP... |
353c0 | 09 63 72 65 61 74 65 64 5f 61 74 00 1b f4 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at...^FP....default_fin |
353e0 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 c4 01 00 00 07 5f 69 64 00 56 16 1c 67 | gerprint_size..........._id.V..g |
35400 | 2b 72 ed 2b 40 00 00 f5 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.+@....warnings.......fingerpr |
35420 | 69 6e 74 73 00 f6 00 00 00 04 4d 50 32 44 00 eb 00 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d | ints......MP2D......0.....1;1-1- |
35440 | 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b | 19;2-1-1;2-1-6;..1.....19;1-2-1; |
35460 | 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 32 00 16 00 00 00 36 3b 31 2d 31 2d | 1-1-6;2-1-1;2-1-9;..2.....6;1-1- |
35480 | 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 33 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 | 9;1-1-19;2-2-1;..3.....9;1-1-6;2 |
354a0 | 2d 31 2d 31 39 3b 00 02 34 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 | -1-19;..4.....1;1-1-1;1-1-19;2-2 |
354c0 | 2d 31 3b 32 2d 31 2d 36 3b 00 02 35 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 38 3b 32 | -1;2-1-6;..5.....1;1-2-1;2-1-8;2 |
354e0 | 2d 31 2d 31 39 3b 00 02 36 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d | -1-19;..6.....1;1-1-1;1-1-8;2-1- |
35500 | 31 3b 00 02 37 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c | 1;..7.....8;1-1-1;2-1-1;....smil |
35520 | 65 73 00 0c 00 00 00 43 4e 28 4e 3d 4f 29 43 43 43 4f 00 02 69 6e 63 68 69 00 32 00 00 00 49 6e | es.....CN(N=O)CCCO..inchi.2...In |
35540 | 43 68 49 3d 31 53 2f 43 34 48 31 30 4e 32 4f 32 2f 63 31 2d 36 28 35 2d 38 29 33 2d 32 2d 34 2d | ChI=1S/C4H10N2O2/c1-6(5-8)3-2-4- |
35560 | 37 2f 68 37 48 2c 32 2d 34 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 22 f4 5e 46 | 7/h7H,2-4H2,1H3..updated_at.".^F |
35580 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 21 f4 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at.!.^FP....default |
355a0 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 f5 01 00 00 07 5f 69 64 00 | _fingerprint_size..........._id. |
355c0 | 56 16 1c 67 2b 72 ed 2b 40 00 00 f6 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..g+r.+@....warnings.......fing |
355e0 | 65 72 70 72 69 6e 74 73 00 1e 01 00 00 04 4d 50 32 44 00 13 01 00 00 02 30 00 16 00 00 00 31 3b | erprints......MP2D......0.....1; |
35600 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 00 1c 00 00 00 31 39 3b 31 2d | 1-1-19;2-1-1;2-1-6;..1.....19;1- |
35620 | 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 32 00 16 00 00 00 36 3b | 2-1;1-1-6;2-1-1;2-1-9;..2.....6; |
35640 | 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 33 00 10 00 00 00 39 3b 31 2d 31 | 1-1-9;1-1-19;2-2-1;..3.....9;1-1 |
35660 | 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 34 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 | -6;2-1-19;..4."...1;1-1-1;1-1-19 |
35680 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 35 00 1c 00 00 00 31 3b 31 2d 32 | ;2-2-1;2-1-6;2-1-8;..5.....1;1-2 |
356a0 | 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 39 3b 00 02 36 00 1b 00 00 00 31 3b | -1;1-1-8;2-1-8;2-1-19;..6.....1; |
356c0 | 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 37 00 0f 00 00 00 | 1-1-1;1-1-8;2-1-1;2-1-8;..7..... |
356e0 | 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 38 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d | 8;1-1-1;2-1-1;..8.....8;1-1-1;2- |
35700 | 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 0f 00 00 00 43 4e 28 4e 3d 4f 29 43 43 28 43 4f 29 | 2-1;....smiles.....CN(N=O)CC(CO) |
35720 | 4f 00 02 69 6e 63 68 69 00 38 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 31 30 4e 32 4f 33 2f | O..inchi.8...InChI=1S/C4H10N2O3/ |
35740 | 63 31 2d 36 28 35 2d 39 29 32 2d 34 28 38 29 33 2d 37 2f 68 34 2c 37 2d 38 48 2c 32 2d 33 48 32 | c1-6(5-9)2-4(8)3-7/h4,7-8H,2-3H2 |
35760 | 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 28 f4 5e 46 50 01 00 00 09 63 72 65 61 74 65 | ,1H3..updated_at.(.^FP....create |
35780 | 64 5f 61 74 00 26 f4 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.&.^FP....default_fingerprin |
357a0 | 74 5f 73 69 7a 65 00 00 00 00 00 00 ee 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 | t_size..........._id.V..g+r.+@.. |
357c0 | f7 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 1f 01 | ..warnings.......fingerprints... |
357e0 | 00 00 04 4d 50 32 44 00 14 01 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 | ...MP2D......0.....8;1-1-1;2-1-1 |
35800 | 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 39 3b 00 02 | ;..1.....1;1-1-1;1-1-8;2-1-19;.. |
35820 | 32 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 | 2."...1;1-1-1;1-1-19;2-1-1;2-1-6 |
35840 | 3b 32 2d 31 2d 38 3b 00 02 33 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d | ;2-1-8;..3.....19;1-2-1;1-1-6;2- |
35860 | 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 34 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 | 2-1;2-1-9;..4.....6;1-1-9;1-1-19 |
35880 | 3b 32 2d 32 2d 31 3b 00 02 35 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 | ;2-2-1;..5.....9;1-1-6;2-1-19;.. |
358a0 | 36 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 | 6."...1;1-1-1;1-1-19;2-1-1;2-1-6 |
358c0 | 3b 32 2d 31 2d 38 3b 00 02 37 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 | ;2-1-8;..7.....1;1-1-1;1-1-8;2-1 |
358e0 | 2d 31 39 3b 00 02 38 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d | -19;..8.....8;1-1-1;2-1-1;....sm |
35900 | 69 6c 65 73 00 0d 00 00 00 4f 43 43 4e 28 4e 3d 4f 29 43 43 4f 00 02 69 6e 63 68 69 00 32 00 00 | iles.....OCCN(N=O)CCO..inchi.2.. |
35920 | 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 31 30 4e 32 4f 33 2f 63 37 2d 33 2d 31 2d 36 28 35 2d 39 | .InChI=1S/C4H10N2O3/c7-3-1-6(5-9 |
35940 | 29 32 2d 34 2d 38 2f 68 37 2d 38 48 2c 31 2d 34 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 2d | )2-4-8/h7-8H,1-4H2..updated_at.- |
35960 | f4 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 2c f4 5e 46 50 01 00 00 10 64 65 66 61 | .^FP....created_at.,.^FP....defa |
35980 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 b7 01 00 00 07 5f | ult_fingerprint_size..........._ |
359a0 | 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 f8 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..g+r.+@....warnings.......f |
359c0 | 69 6e 67 65 72 70 72 69 6e 74 73 00 ea 00 00 00 04 4d 50 32 44 00 df 00 00 00 02 30 00 0f 00 00 | ingerprints......MP2D......0.... |
359e0 | 00 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 00 02 31 00 1d 00 00 00 36 3b 31 2d 31 2d 31 3b 31 | .1;1-1-6;2-1-2;..1.....6;1-1-1;1 |
35a00 | 2d 31 2d 32 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 39 3b 00 02 32 00 1d 00 00 00 32 3b 31 2d 31 | -1-2;2-1-10;2-1-19;..2.....2;1-1 |
35a20 | 2d 36 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 31 39 3b 32 2d 33 2d 31 3b 00 02 33 00 1d 00 00 00 31 | -6;1-1-10;1-1-19;2-3-1;..3.....1 |
35a40 | 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 30 3b 00 02 34 00 16 | 9;1-2-1;1-1-2;2-1-6;2-1-10;..4.. |
35a60 | 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 35 00 16 00 00 00 | ...1;1-1-19;2-1-1;2-1-2;..5..... |
35a80 | 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 36 00 17 00 00 00 31 30 3b | 1;1-1-19;2-1-1;2-1-2;..6.....10; |
35aa0 | 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 0d 00 | 1-1-2;2-1-6;2-1-19;....smiles... |
35ac0 | 00 00 43 4e 3d 43 28 4e 28 43 29 43 29 53 00 02 69 6e 63 68 69 00 30 00 00 00 49 6e 43 68 49 3d | ..CN=C(N(C)C)S..inchi.0...InChI= |
35ae0 | 31 53 2f 43 34 48 31 30 4e 32 53 2f 63 31 2d 35 2d 34 28 37 29 36 28 32 29 33 2f 68 31 2d 33 48 | 1S/C4H10N2S/c1-5-4(7)6(2)3/h1-3H |
35b00 | 33 2c 28 48 2c 35 2c 37 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 33 f4 5e 46 50 01 00 00 09 63 | 3,(H,5,7)..updated_at.3.^FP....c |
35b20 | 72 65 61 74 65 64 5f 61 74 00 32 f4 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.2.^FP....default_finge |
35b40 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 4f 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 | rprint_size......O...._id.V..g+r |
35b60 | ed 2b 40 00 00 f9 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .+@....warnings.......fingerprin |
35b80 | 74 73 00 90 00 00 00 04 4d 50 32 44 00 85 00 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b | ts......MP2D......0.....1;1-1-1; |
35ba0 | 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d | 2-2-1;2-1-8;..1.....1;1-3-1;1-1- |
35bc0 | 38 3b 00 02 32 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 33 00 15 00 00 00 | 8;..2.....8;1-1-1;2-3-1;..3..... |
35be0 | 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 00 15 00 00 00 31 3b 31 2d | 1;1-1-1;2-2-1;2-1-8;..4.....1;1- |
35c00 | 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 0a 00 00 00 43 | 1-1;2-2-1;2-1-8;....smiles.....C |
35c20 | 43 28 4f 29 28 43 29 43 00 02 69 6e 63 68 69 00 25 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 | C(O)(C)C..inchi.%...InChI=1S/C4H |
35c40 | 31 30 4f 2f 63 31 2d 34 28 32 2c 33 29 35 2f 68 35 48 2c 31 2d 33 48 33 00 09 75 70 64 61 74 65 | 10O/c1-4(2,3)5/h5H,1-3H3..update |
35c60 | 64 5f 61 74 00 39 f4 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 37 f4 5e 46 50 01 00 | d_at.9.^FP....created_at.7.^FP.. |
35c80 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 | ..default_fingerprint_size...... |
35ca0 | 92 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 fa 04 77 61 72 6e 69 6e 67 73 00 05 | ....._id.V..g+r.+@....warnings.. |
35cc0 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ce 00 00 00 04 4d 50 32 44 00 c3 00 00 00 | .....fingerprints......MP2D..... |
35ce0 | 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 15 00 00 00 31 3b 31 | .0.....8;1-1-1;2-1-1;..1.....1;1 |
35d00 | 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 38 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 31 2d 31 | -1-1;1-1-8;2-1-8;..2.....1;1-1-1 |
35d20 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 00 0f 00 00 00 38 3b 31 2d 32 | ;1-1-8;2-1-1;2-1-8;..3.....8;1-2 |
35d40 | 2d 31 3b 32 2d 32 2d 31 3b 00 02 34 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 | -1;2-2-1;..4.....1;1-1-1;1-1-8;2 |
35d60 | 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 | -1-1;2-1-8;..5.....1;1-1-1;1-1-8 |
35d80 | 3b 32 2d 31 2d 38 3b 00 02 36 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 | ;2-1-8;..6.....8;1-1-1;2-1-1;... |
35da0 | 02 73 6d 69 6c 65 73 00 08 00 00 00 4f 43 43 4f 43 43 4f 00 02 69 6e 63 68 69 00 2c 00 00 00 49 | .smiles.....OCCOCCO..inchi.,...I |
35dc0 | 6e 43 68 49 3d 31 53 2f 43 34 48 31 30 4f 33 2f 63 35 2d 31 2d 33 2d 37 2d 34 2d 32 2d 36 2f 68 | nChI=1S/C4H10O3/c5-1-3-7-4-2-6/h |
35de0 | 35 2d 36 48 2c 31 2d 34 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 3e f4 5e 46 50 01 00 00 09 | 5-6H,1-4H2..updated_at.>.^FP.... |
35e00 | 63 72 65 61 74 65 64 5f 61 74 00 3d f4 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at.=.^FP....default_fing |
35e20 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 db 01 00 00 07 5f 69 64 00 56 16 1c 67 2b | erprint_size..........._id.V..g+ |
35e40 | 72 ed 2b 40 00 00 fb 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.+@....warnings.......fingerpri |
35e60 | 6e 74 73 00 06 01 00 00 04 4d 50 32 44 00 fb 00 00 00 02 30 00 16 00 00 00 38 3b 31 2d 31 2d 33 | nts......MP2D......0.....8;1-1-3 |
35e80 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 00 1c 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d | ;2-1-3;2-1-11;..1.....3;1-1-3;1- |
35ea0 | 31 2d 38 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 | 1-8;1-1-11;2-2-3;..2.....3;1-2-3 |
35ec0 | 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 31 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d | ;2-1-8;2-2-11;..3.....3;1-1-3;1- |
35ee0 | 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 34 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 1-11;2-2-3;..4.....11;1-2-3;2-1- |
35f00 | 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 31 2d 38 3b 31 | 3;2-1-8;2-1-11;..5.....3;1-1-8;1 |
35f20 | 2d 32 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 36 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 | -2-11;2-2-3;..6.....11;1-2-3;2-1 |
35f40 | 2d 33 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 37 00 10 00 00 00 38 3b 31 2d 31 2d 33 3b | -3;2-2-8;2-1-11;..7.....8;1-1-3; |
35f60 | 32 2d 32 2d 31 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 0d 00 00 00 4f 63 31 63 63 6e 63 28 6e 31 | 2-2-11;....smiles.....Oc1ccnc(n1 |
35f80 | 29 4f 00 02 69 6e 63 68 69 00 38 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 34 4e 32 4f 32 2f | )O..inchi.8...InChI=1S/C4H4N2O2/ |
35fa0 | 63 37 2d 33 2d 31 2d 32 2d 35 2d 34 28 38 29 36 2d 33 2f 68 31 2d 32 48 2c 28 48 32 2c 35 2c 36 | c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6 |
35fc0 | 2c 37 2c 38 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 44 f4 5e 46 50 01 00 00 09 63 72 65 61 74 | ,7,8)..updated_at.D.^FP....creat |
35fe0 | 65 64 5f 61 74 00 42 f4 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at.B.^FP....default_fingerpri |
36000 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 e5 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 | nt_size..........._id.V..g+r.+@. |
36020 | 00 fc 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 10 | ...warnings.......fingerprints.. |
36040 | 01 00 00 04 4d 50 32 44 00 05 01 00 00 02 30 00 16 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 31 2d | ....MP2D......0.....8;1-1-3;2-1- |
36060 | 33 3b 32 2d 31 2d 31 31 3b 00 02 31 00 1c 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 | 3;2-1-11;..1.....3;1-1-3;1-1-8;1 |
36080 | 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | -1-11;2-2-3;..2.....3;1-2-3;2-1- |
360a0 | 38 3b 32 2d 32 2d 31 31 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b | 8;2-2-11;..3.....3;1-1-3;1-1-11; |
360c0 | 32 2d 32 2d 33 3b 00 02 34 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 | 2-2-3;..4.....11;1-2-3;2-1-3;2-1 |
360e0 | 2d 31 30 3b 32 2d 31 2d 31 31 3b 00 02 35 00 17 00 00 00 33 3b 31 2d 31 2d 31 30 3b 31 2d 32 2d | -10;2-1-11;..5.....3;1-1-10;1-2- |
36100 | 31 31 3b 32 2d 32 2d 33 3b 00 02 36 00 24 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b | 11;2-2-3;..6.$...11;1-2-3;2-1-3; |
36120 | 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 31 3b 00 02 37 00 11 00 00 00 31 30 3b 31 | 2-1-8;2-1-10;2-1-11;..7.....10;1 |
36140 | 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 0d 00 00 00 4f 63 31 63 63 | -1-3;2-2-11;....smiles.....Oc1cc |
36160 | 6e 63 28 6e 31 29 53 00 02 69 6e 63 68 69 00 38 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 34 | nc(n1)S..inchi.8...InChI=1S/C4H4 |
36180 | 4e 32 4f 53 2f 63 37 2d 33 2d 31 2d 32 2d 35 2d 34 28 38 29 36 2d 33 2f 68 31 2d 32 48 2c 28 48 | N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H |
361a0 | 32 2c 35 2c 36 2c 37 2c 38 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 49 f4 5e 46 50 01 00 00 09 | 2,5,6,7,8)..updated_at.I.^FP.... |
361c0 | 63 72 65 61 74 65 64 5f 61 74 00 48 f4 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at.H.^FP....default_fing |
361e0 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 54 01 00 00 07 5f 69 64 00 56 16 1c 67 2b | erprint_size......T...._id.V..g+ |
36200 | 72 ed 2b 40 00 00 fd 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.+@....warnings.......fingerpri |
36220 | 6e 74 73 00 94 00 00 00 04 4d 50 32 44 00 89 00 00 00 02 30 00 0f 00 00 00 32 3b 31 2d 31 2d 32 | nts......MP2D......0.....2;1-1-2 |
36240 | 3b 32 2d 31 2d 32 3b 00 02 31 00 16 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 | ;2-1-2;..1.....2;1-2-2;2-1-2;2-1 |
36260 | 2d 31 35 3b 00 02 32 00 16 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 32 | -15;..2.....2;1-2-2;1-1-15;2-1-2 |
36280 | 3b 00 02 33 00 16 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 | ;..3.....2;1-1-2;2-1-2;2-1-15;.. |
362a0 | 34 00 10 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 | 4.....15;1-1-2;2-2-2;....smiles. |
362c0 | 0b 00 00 00 43 3d 43 43 28 3d 43 29 43 6c 00 02 69 6e 63 68 69 00 25 00 00 00 49 6e 43 68 49 3d | ....C=CC(=C)Cl..inchi.%...InChI= |
362e0 | 31 53 2f 43 34 48 35 43 6c 2f 63 31 2d 33 2d 34 28 32 29 35 2f 68 33 48 2c 31 2d 32 48 32 00 09 | 1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2.. |
36300 | 75 70 64 61 74 65 64 5f 61 74 00 4f f4 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 4d | updated_at.O.^FP....created_at.M |
36320 | f4 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | .^FP....default_fingerprint_size |
36340 | 00 00 00 00 00 00 49 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 00 fe 04 77 61 72 6e | ......I...._id.V..g+r.+@....warn |
36360 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 6a 01 00 00 04 4d 50 32 | ings.......fingerprints.j....MP2 |
36380 | 44 00 5f 01 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 | D._....0.....9;1-1-2;2-1-1;2-1-2 |
363a0 | 38 3b 00 02 31 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 | 8;..1."...2;1-1-1;1-1-9;1-1-28;2 |
363c0 | 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 1d 00 00 00 32 38 3b 31 2d 32 2d 32 3b 32 2d 31 2d | -1-1;2-1-2;..2.....28;1-2-2;2-1- |
363e0 | 31 3b 32 2d 32 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 33 00 22 00 00 00 32 3b 31 2d 31 2d 39 3b 31 | 1;2-2-9;2-1-28;..3."...2;1-1-9;1 |
36400 | 2d 32 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 34 00 10 00 00 00 | -2-28;2-1-1;2-1-2;2-1-6;..4..... |
36420 | 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 35 00 29 00 00 00 32 38 3b 31 2d 31 2d 31 3b | 9;1-1-2;2-2-28;..5.)...28;1-1-1; |
36440 | 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 32 2d 39 3b 32 2d 31 2d 32 38 3b 00 | 1-1-2;1-1-6;2-1-1;2-2-9;2-1-28;. |
36460 | 02 36 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 32 3b 32 2d 31 2d | .6.....1;1-1-1;1-1-28;2-2-2;2-1- |
36480 | 36 3b 00 02 37 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d | 6;..7.....1;1-1-1;1-1-2;2-1-9;2- |
364a0 | 32 2d 32 38 3b 00 02 38 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d | 2-28;..8.....6;1-1-9;1-1-28;2-1- |
364c0 | 31 3b 32 2d 31 2d 32 3b 00 02 39 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 38 3b 00 | 1;2-1-2;..9.....9;1-1-6;2-1-28;. |
364e0 | 00 00 02 73 6d 69 6c 65 73 00 14 00 00 00 4f 43 31 3d 4e 43 28 3d 4f 29 4e 28 43 43 31 29 4e 3d | ...smiles.....OC1=NC(=O)N(CC1)N= |
36500 | 4f 00 02 69 6e 63 68 69 00 3b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 35 4e 33 4f 33 2f 63 | O..inchi.;...InChI=1S/C4H5N3O3/c |
36520 | 38 2d 33 2d 31 2d 32 2d 37 28 36 2d 31 30 29 34 28 39 29 35 2d 33 2f 68 31 2d 32 48 32 2c 28 48 | 8-3-1-2-7(6-10)4(9)5-3/h1-2H2,(H |
36540 | 2c 35 2c 38 2c 39 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 55 f4 5e 46 50 01 00 00 09 63 72 65 | ,5,8,9)..updated_at.U.^FP....cre |
36560 | 61 74 65 64 5f 61 74 00 53 f4 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at.S.^FP....default_fingerp |
36580 | 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 7c 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b | rint_size......|...._id.V..g+r.+ |
365a0 | 40 00 00 ff 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 | @....warnings.......fingerprints |
365c0 | 00 bb 00 00 00 04 4d 50 32 44 00 b0 00 00 00 02 30 00 0f 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d | ......MP2D......0.....2;1-1-2;2- |
365e0 | 31 2d 31 3b 00 02 31 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b | 1-1;..1.....2;1-1-1;1-1-2;2-1-6; |
36600 | 00 02 32 00 1b 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d | ..2.....1;1-1-2;1-1-6;2-1-2;2-1- |
36620 | 34 3b 00 02 33 00 1c 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 34 3b 32 2d 31 2d 32 3b 32 2d | 4;..3.....6;1-1-1;1-1-4;2-1-2;2- |
36640 | 31 2d 31 38 3b 00 02 34 00 16 00 00 00 34 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 38 3b 32 2d 31 2d | 1-18;..4.....4;1-1-6;1-1-18;2-1- |
36660 | 31 3b 00 02 35 00 10 00 00 00 31 38 3b 31 2d 31 2d 34 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 | 1;..5.....18;1-1-4;2-1-6;....smi |
36680 | 6c 65 73 00 0a 00 00 00 43 3d 43 43 4e 3d 43 3d 53 00 02 69 6e 63 68 69 00 27 00 00 00 49 6e 43 | les.....C=CCN=C=S..inchi.'...InC |
366a0 | 68 49 3d 31 53 2f 43 34 48 35 4e 53 2f 63 31 2d 32 2d 33 2d 35 2d 34 2d 36 2f 68 32 48 2c 31 2c | hI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1, |
366c0 | 33 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 5a f4 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 | 3H2..updated_at.Z.^FP....created |
366e0 | 5f 61 74 00 59 f4 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at.Y.^FP....default_fingerprint |
36700 | 5f 73 69 7a 65 00 00 00 00 00 00 22 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 00 | _size......"...._id.V..g+r.+@... |
36720 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 68 00 00 | .warnings.......fingerprints.h.. |
36740 | 00 04 4d 50 32 44 00 5d 00 00 00 02 30 00 0f 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b | ..MP2D.]....0.....2;1-1-2;2-1-2; |
36760 | 00 02 31 00 0f 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 32 3b 00 02 32 00 0f 00 00 00 32 3b | ..1.....2;1-2-2;2-1-2;..2.....2; |
36780 | 31 2d 32 2d 32 3b 32 2d 31 2d 32 3b 00 02 33 00 0f 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d | 1-2-2;2-1-2;..3.....2;1-1-2;2-1- |
367a0 | 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 07 00 00 00 43 3d 43 43 3d 43 00 02 69 6e 63 68 69 00 23 | 2;....smiles.....C=CC=C..inchi.# |
367c0 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 36 2f 63 31 2d 33 2d 34 2d 32 2f 68 33 2d 34 48 2c | ...InChI=1S/C4H6/c1-3-4-2/h3-4H, |
367e0 | 31 2d 32 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 60 f4 5e 46 50 01 00 00 09 63 72 65 61 74 | 1-2H2..updated_at.`.^FP....creat |
36800 | 65 64 5f 61 74 00 5e f4 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at.^.^FP....default_fingerpri |
36820 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 82 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 | nt_size..........._id.V..g+r.+@. |
36840 | 01 01 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 be | ...warnings.......fingerprints.. |
36860 | 00 00 00 04 4d 50 32 44 00 b3 00 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 | ....MP2D......0.....15;1-1-1;2-1 |
36880 | 2d 32 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 32 3b | -2;..1.....1;1-1-2;1-1-15;2-1-2; |
368a0 | 00 02 32 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d | ..2.....2;1-1-1;1-1-2;2-1-1;2-1- |
368c0 | 31 35 3b 00 02 33 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 | 15;..3.....2;1-1-1;1-1-2;2-1-1;2 |
368e0 | 2d 31 2d 31 35 3b 00 02 34 00 16 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 31 | -1-15;..4.....1;1-1-2;1-1-15;2-1 |
36900 | 2d 32 3b 00 02 35 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d | -2;..5.....15;1-1-1;2-1-2;....sm |
36920 | 69 6c 65 73 00 0a 00 00 00 43 6c 43 43 3d 43 43 43 6c 00 02 69 6e 63 68 69 00 2a 00 00 00 49 6e | iles.....ClCC=CCCl..inchi.*...In |
36940 | 43 68 49 3d 31 53 2f 43 34 48 36 43 6c 32 2f 63 35 2d 33 2d 31 2d 32 2d 34 2d 36 2f 68 31 2d 32 | ChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2 |
36960 | 48 2c 33 2d 34 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 65 f4 5e 46 50 01 00 00 09 63 72 65 | H,3-4H2..updated_at.e.^FP....cre |
36980 | 61 74 65 64 5f 61 74 00 63 f4 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at.c.^FP....default_fingerp |
369a0 | 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 ce 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b | rint_size..........._id.V..g+r.+ |
369c0 | 40 00 01 02 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 | @....warnings.......fingerprints |
369e0 | 00 01 01 00 00 04 4d 50 32 44 00 f6 00 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d | ......MP2D......0.....1;1-1-3;2- |
36a00 | 32 2d 31 31 3b 00 02 31 00 1d 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d | 2-11;..1.....3;1-1-1;1-2-11;2-2- |
36a20 | 33 3b 32 2d 31 2d 31 33 3b 00 02 32 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b | 3;2-1-13;..2.....11;1-2-3;2-1-1; |
36a40 | 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 33 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 | 2-1-3;2-1-11;..3.....3;1-1-3;1-1 |
36a60 | 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 34 00 24 00 00 00 33 3b 31 2d 31 2d 33 | -11;2-1-3;2-1-11;..4.$...3;1-1-3 |
36a80 | 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 02 35 00 | ;1-1-11;2-1-3;2-1-11;2-1-13;..5. |
36aa0 | 24 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b | $...11;1-2-3;1-1-13;2-1-1;2-1-3; |
36ac0 | 32 2d 31 2d 31 31 3b 00 02 36 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 | 2-1-11;..6.....13;1-1-11;2-2-3;. |
36ae0 | 00 00 02 73 6d 69 6c 65 73 00 0c 00 00 00 43 63 31 6e 63 63 5b 6e 48 5d 31 00 02 69 6e 63 68 69 | ...smiles.....Cc1ncc[nH]1..inchi |
36b00 | 00 31 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 36 4e 32 2f 63 31 2d 34 2d 35 2d 32 2d 33 2d | .1...InChI=1S/C4H6N2/c1-4-5-2-3- |
36b20 | 36 2d 34 2f 68 32 2d 33 48 2c 31 48 33 2c 28 48 2c 35 2c 36 29 00 09 75 70 64 61 74 65 64 5f 61 | 6-4/h2-3H,1H3,(H,5,6)..updated_a |
36b40 | 74 00 6a f4 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 69 f4 5e 46 50 01 00 00 10 64 | t.j.^FP....created_at.i.^FP....d |
36b60 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 01 02 00 | efault_fingerprint_size......... |
36b80 | 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 03 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V..g+r.+@....warnings..... |
36ba0 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 33 01 00 00 04 4d 50 32 44 00 28 01 00 00 02 30 00 | ..fingerprints.3....MP2D.(....0. |
36bc0 | 22 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 | "...1;1-1-2;1-1-31;2-1-2;2-1-6;2 |
36be0 | 2d 31 2d 38 3b 00 02 31 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 | -1-8;..1.....2;1-1-1;1-1-2;2-1-1 |
36c00 | 3b 32 2d 31 2d 33 31 3b 00 02 32 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d | ;2-1-31;..2.....2;1-1-1;1-1-2;2- |
36c20 | 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 00 1c 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b | 1-1;2-1-8;..3.....1;1-1-2;1-1-8; |
36c40 | 32 2d 31 2d 32 3b 32 2d 31 2d 33 31 3b 00 02 34 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-1-2;2-1-31;..4."...8;1-1-1;1-1 |
36c60 | 2d 33 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 35 00 28 00 00 00 33 31 | -31;2-1-1;2-1-2;2-1-6;..5.(...31 |
36c80 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 | ;1-1-1;1-1-6;1-1-8;2-1-1;2-1-2;2 |
36ca0 | 2d 31 2d 39 3b 00 02 36 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 33 31 3b 32 2d 31 2d | -1-9;..6.....6;1-1-9;1-1-31;2-1- |
36cc0 | 31 3b 32 2d 31 2d 38 3b 00 02 37 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 33 31 3b 00 | 1;2-1-8;..7.....9;1-1-6;2-1-31;. |
36ce0 | 00 00 02 73 6d 69 6c 65 73 00 0d 00 00 00 43 31 43 3d 43 43 4f 4e 31 4e 3d 4f 00 02 69 6e 63 68 | ...smiles.....C1C=CCON1N=O..inch |
36d00 | 69 00 31 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 36 4e 32 4f 32 2f 63 37 2d 35 2d 36 2d 33 | i.1...InChI=1S/C4H6N2O2/c7-5-6-3 |
36d20 | 2d 31 2d 32 2d 34 2d 38 2d 36 2f 68 31 2d 32 48 2c 33 2d 34 48 32 00 09 75 70 64 61 74 65 64 5f | -1-2-4-8-6/h1-2H,3-4H2..updated_ |
36d40 | 61 74 00 6f f4 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 6e f4 5e 46 50 01 00 00 10 | at.o.^FP....created_at.n.^FP.... |
36d60 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 cf 01 | default_fingerprint_size........ |
36d80 | 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 04 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V..g+r.+@....warnings.... |
36da0 | 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 01 01 00 00 04 4d 50 32 44 00 f6 00 00 00 02 30 | ...fingerprints......MP2D......0 |
36dc0 | 00 10 00 00 00 31 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 00 24 00 00 00 31 31 3b 31 | .....1;1-1-11;2-2-3;..1.$...11;1 |
36de0 | 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 31 3b 00 | -1-1;1-2-3;2-1-3;2-1-10;2-1-11;. |
36e00 | 02 32 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d | .2.#...3;1-1-3;1-1-11;2-1-1;2-1- |
36e20 | 33 3b 32 2d 31 2d 31 31 3b 00 02 33 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b | 3;2-1-11;..3.....3;1-1-3;1-1-11; |
36e40 | 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 34 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d | 2-1-3;2-1-11;..4.....11;1-2-3;2- |
36e60 | 31 2d 33 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 31 3b 00 02 35 00 1d 00 00 00 33 3b 31 2d 31 2d | 1-3;2-1-10;2-1-11;..5.....3;1-1- |
36e80 | 31 30 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 11 00 00 00 31 30 | 10;1-2-11;2-1-1;2-2-3;..6.....10 |
36ea0 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 0a 00 00 00 43 6e 31 | ;1-1-3;2-2-11;....smiles.....Cn1 |
36ec0 | 63 63 6e 63 31 53 00 02 69 6e 63 68 69 00 34 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 36 4e | ccnc1S..inchi.4...InChI=1S/C4H6N |
36ee0 | 32 53 2f 63 31 2d 36 2d 33 2d 32 2d 35 2d 34 28 36 29 37 2f 68 32 2d 33 48 2c 31 48 33 2c 28 48 | 2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H |
36f00 | 2c 35 2c 37 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 75 f4 5e 46 50 01 00 00 09 63 72 65 61 74 | ,5,7)..updated_at.u.^FP....creat |
36f20 | 65 64 5f 61 74 00 73 f4 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at.s.^FP....default_fingerpri |
36f40 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 4c 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 | nt_size......L...._id.V..g+r.+@. |
36f60 | 01 05 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 90 | ...warnings.......fingerprints.. |
36f80 | 00 00 00 04 4d 50 32 44 00 85 00 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d | ....MP2D......0.....1;1-1-2;2-1- |
36fa0 | 32 3b 00 02 31 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 02 | 2;..1.....2;1-1-1;1-1-2;2-1-2;.. |
36fc0 | 32 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 15 00 | 2.....2;1-2-2;2-1-1;2-1-9;..3... |
36fe0 | 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 00 02 34 00 0f 00 00 00 39 3b | ..2;1-1-2;1-1-9;2-1-2;..4.....9; |
37000 | 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 08 00 00 00 43 43 3d 43 43 | 1-1-2;2-1-2;....smiles.....CC=CC |
37020 | 3d 4f 00 02 69 6e 63 68 69 00 24 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 36 4f 2f 63 31 2d | =O..inchi.$...InChI=1S/C4H6O/c1- |
37040 | 32 2d 33 2d 34 2d 35 2f 68 32 2d 34 48 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 79 f4 | 2-3-4-5/h2-4H,1H3..updated_at.y. |
37060 | 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 78 f4 5e 46 50 01 00 00 10 64 65 66 61 75 | ^FP....created_at.x.^FP....defau |
37080 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 97 01 00 00 07 5f 69 | lt_fingerprint_size..........._i |
370a0 | 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 06 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..g+r.+@....warnings.......fi |
370c0 | 6e 67 65 72 70 72 69 6e 74 73 00 d0 00 00 00 04 4d 50 32 44 00 c5 00 00 00 02 30 00 15 00 00 00 | ngerprints......MP2D......0..... |
370e0 | 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 31 3b 31 2d | 1;1-1-1;2-1-1;2-1-8;..1.....1;1- |
37100 | 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 32 3b 00 02 32 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b | 2-1;1-1-8;2-2-2;..2.!...1;1-1-1; |
37120 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 33 00 1b 00 00 00 | 1-1-2;2-1-1;2-2-8;2-1-9;..3..... |
37140 | 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 00 02 34 00 15 00 | 2;1-1-1;1-1-8;1-1-9;2-2-1;..4... |
37160 | 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 1b 00 00 00 38 3b | ..9;1-1-2;2-1-1;2-1-8;..5.....8; |
37180 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c | 1-1-1;1-1-2;2-3-1;2-1-9;....smil |
371a0 | 65 73 00 0c 00 00 00 43 43 31 43 43 28 3d 4f 29 4f 31 00 02 69 6e 63 68 69 00 2b 00 00 00 49 6e | es.....CC1CC(=O)O1..inchi.+...In |
371c0 | 43 68 49 3d 31 53 2f 43 34 48 36 4f 32 2f 63 31 2d 33 2d 32 2d 34 28 35 29 36 2d 33 2f 68 33 48 | ChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H |
371e0 | 2c 32 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 7f f4 5e 46 50 01 00 00 09 63 72 | ,2H2,1H3..updated_at...^FP....cr |
37200 | 65 61 74 65 64 5f 61 74 00 7d f4 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at.}.^FP....default_finger |
37220 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 82 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed | print_size..........._id.V..g+r. |
37240 | 2b 40 00 01 07 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | +@....warnings.......fingerprint |
37260 | 73 00 be 00 00 00 04 4d 50 32 44 00 b3 00 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 | s......MP2D......0.....1;1-1-2;2 |
37280 | 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 | -1-8;2-1-9;..1.....2;1-1-1;1-1-8 |
372a0 | 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 00 02 32 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 | ;1-1-9;2-1-2;..2.....9;1-1-2;2-1 |
372c0 | 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 00 1b 00 00 00 38 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 | -1;2-1-8;..3.....8;1-2-2;2-1-1;2 |
372e0 | 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 34 00 15 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 | -1-2;2-1-9;..4.....2;1-1-2;1-1-8 |
37300 | 3b 32 2d 31 2d 32 3b 00 02 35 00 0f 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 00 00 | ;2-1-2;..5.....2;1-1-2;2-1-8;... |
37320 | 02 73 6d 69 6c 65 73 00 0b 00 00 00 43 43 28 3d 4f 29 4f 43 3d 43 00 02 69 6e 63 68 69 00 29 00 | .smiles.....CC(=O)OC=C..inchi.). |
37340 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 36 4f 32 2f 63 31 2d 33 2d 36 2d 34 28 32 29 35 2f 68 | ..InChI=1S/C4H6O2/c1-3-6-4(2)5/h |
37360 | 33 48 2c 31 48 32 2c 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 84 f4 5e 46 50 01 00 00 09 | 3H,1H2,2H3..updated_at...^FP.... |
37380 | 63 72 65 61 74 65 64 5f 61 74 00 82 f4 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at...^FP....default_fing |
373a0 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 58 01 00 00 07 5f 69 64 00 56 16 1c 67 2b | erprint_size......X...._id.V..g+ |
373c0 | 72 ed 2b 40 00 01 08 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.+@....warnings.......fingerpri |
373e0 | 6e 74 73 00 99 00 00 00 04 4d 50 32 44 00 8e 00 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d | nts......MP2D......0.....15;1-1- |
37400 | 32 3b 32 2d 31 2d 32 3b 00 02 31 00 16 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 | 2;2-1-2;..1.....2;1-1-2;1-1-15;2 |
37420 | 2d 32 2d 31 3b 00 02 32 00 16 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 | -2-1;..2.....2;1-2-1;1-1-2;2-1-1 |
37440 | 35 3b 00 02 33 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 | 5;..3.....1;1-1-2;2-1-1;2-1-2;.. |
37460 | 34 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d | 4.....1;1-1-2;2-1-1;2-1-2;....sm |
37480 | 69 6c 65 73 00 0a 00 00 00 43 6c 43 3d 43 28 43 29 43 00 02 69 6e 63 68 69 00 25 00 00 00 49 6e | iles.....ClC=C(C)C..inchi.%...In |
374a0 | 43 68 49 3d 31 53 2f 43 34 48 37 43 6c 2f 63 31 2d 34 28 32 29 33 2d 35 2f 68 33 48 2c 31 2d 32 | ChI=1S/C4H7Cl/c1-4(2)3-5/h3H,1-2 |
374c0 | 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 91 f4 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | H3..updated_at...^FP....created_ |
374e0 | 61 74 00 90 f4 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at...^FP....default_fingerprint_ |
37500 | 73 69 7a 65 00 00 00 00 00 00 48 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 09 04 | size......H...._id.V..g+r.+@.... |
37520 | 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 6b 01 00 00 | warnings.......fingerprints.k... |
37540 | 04 4d 50 32 44 00 60 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b | .MP2D.`....0.....1;1-1-8;2-1-12; |
37560 | 00 02 31 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 38 3b 32 2d 32 | ..1.....8;1-1-1;1-1-12;2-1-8;2-2 |
37580 | 2d 39 3b 00 02 32 00 1c 00 00 00 31 32 3b 31 2d 32 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 31 3b | -9;..2.....12;1-2-8;1-2-9;2-2-1; |
375a0 | 32 2d 31 2d 32 3b 00 02 33 00 16 00 00 00 39 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 | 2-1-2;..3.....9;1-1-12;2-2-8;2-1 |
375c0 | 2d 39 3b 00 02 34 00 22 00 00 00 39 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 32 3b | -9;..4."...9;1-1-2;1-1-12;2-1-2; |
375e0 | 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 00 1d 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d | 2-2-8;2-1-9;..5.....2;1-1-2;1-1- |
37600 | 39 3b 32 2d 31 2d 31 32 3b 32 2d 32 2d 31 35 3b 00 02 36 00 16 00 00 00 32 3b 31 2d 31 2d 32 3b | 9;2-1-12;2-2-15;..6.....2;1-1-2; |
37620 | 31 2d 32 2d 31 35 3b 32 2d 31 2d 39 3b 00 02 37 00 17 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d | 1-2-15;2-1-9;..7.....15;1-1-2;2- |
37640 | 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 38 00 17 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d | 1-2;2-1-15;..8.....15;1-1-2;2-1- |
37660 | 32 3b 32 2d 31 2d 31 35 3b 00 02 39 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b | 2;2-1-15;..9.....8;1-1-1;1-1-12; |
37680 | 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 31 30 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 | 2-1-8;2-2-9;..10.....1;1-1-8;2-1 |
376a0 | 2d 31 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 16 00 00 00 43 4f 50 28 3d 4f 29 28 4f 43 3d 43 28 | -12;....smiles.....COP(=O)(OC=C( |
376c0 | 43 6c 29 43 6c 29 4f 43 00 02 69 6e 63 68 69 00 37 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 | Cl)Cl)OC..inchi.7...InChI=1S/C4H |
376e0 | 37 43 6c 32 4f 34 50 2f 63 31 2d 38 2d 31 31 28 37 2c 39 2d 32 29 31 30 2d 33 2d 34 28 35 29 36 | 7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6 |
37700 | 2f 68 33 48 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 98 f4 5e 46 50 01 00 00 09 | /h3H,1-2H3..updated_at...^FP.... |
37720 | 63 72 65 61 74 65 64 5f 61 74 00 96 f4 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at...^FP....default_fing |
37740 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 19 02 00 00 07 5f 69 64 00 56 16 1c 67 2b | erprint_size..........._id.V..g+ |
37760 | 72 ed 2b 40 00 01 0a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.+@....warnings.......fingerpri |
37780 | 6e 74 73 00 43 01 00 00 04 4d 50 32 44 00 38 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 | nts.C....MP2D.8....0.....1;1-1-1 |
377a0 | 3b 32 2d 31 2d 31 39 3b 00 02 31 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 | ;2-1-19;..1.....1;1-1-1;1-1-19;2 |
377c0 | 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 32 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d | -1-1;2-1-6;..2.....19;1-2-1;1-1- |
377e0 | 36 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | 6;2-2-1;2-1-9;..3.#...1;1-1-1;1- |
37800 | 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 33 2d 31 36 3b 00 02 34 00 17 00 00 00 | 1-19;2-1-1;2-1-6;2-3-16;..4..... |
37820 | 31 3b 31 2d 31 2d 31 3b 31 2d 33 2d 31 36 3b 32 2d 31 2d 31 39 3b 00 02 35 00 17 00 00 00 31 36 | 1;1-1-1;1-3-16;2-1-19;..5.....16 |
37840 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 36 3b 00 02 36 00 17 00 00 00 31 36 3b 31 | ;1-1-1;2-1-1;2-2-16;..6.....16;1 |
37860 | 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 36 3b 00 02 37 00 17 00 00 00 31 36 3b 31 2d 31 | -1-1;2-1-1;2-2-16;..7.....16;1-1 |
37880 | 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 36 3b 00 02 38 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b | -1;2-1-1;2-2-16;..8.....6;1-1-9; |
378a0 | 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 39 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 | 1-1-19;2-2-1;..9.....9;1-1-6;2-1 |
378c0 | 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 12 00 00 00 43 43 4e 28 43 43 28 46 29 28 46 29 46 | -19;....smiles.....CCN(CC(F)(F)F |
378e0 | 29 4e 3d 4f 00 02 69 6e 63 68 69 00 34 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 37 46 33 4e | )N=O..inchi.4...InChI=1S/C4H7F3N |
37900 | 32 4f 2f 63 31 2d 32 2d 39 28 38 2d 31 30 29 33 2d 34 28 35 2c 36 29 37 2f 68 32 2d 33 48 32 2c | 2O/c1-2-9(8-10)3-4(5,6)7/h2-3H2, |
37920 | 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 9e f4 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 | 1H3..updated_at...^FP....created |
37940 | 5f 61 74 00 9c f4 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...^FP....default_fingerprint |
37960 | 5f 73 69 7a 65 00 00 00 00 00 00 0b 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 0b | _size..........._id.V..g+r.+@... |
37980 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 32 01 00 | .warnings.......fingerprints.2.. |
379a0 | 00 04 4d 50 32 44 00 27 01 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b | ..MP2D.'....0.....9;1-1-2;2-1-6; |
379c0 | 32 2d 31 2d 31 39 3b 00 02 31 00 22 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 31 2d 31 | 2-1-19;..1."...2;1-1-6;1-1-9;1-1 |
379e0 | 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 32 00 16 00 00 00 36 3b 31 2d 31 2d 32 3b | -19;2-1-1;2-1-6;..2.....6;1-1-2; |
37a00 | 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 33 00 28 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d | 2-1-9;2-1-19;..3.(...19;1-1-1;1- |
37a20 | 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 32 2d 39 3b 00 02 34 00 | 1-2;1-1-6;2-1-2;2-1-6;2-2-9;..4. |
37a40 | 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 | ....6;1-1-9;1-1-19;2-1-1;2-1-2;. |
37a60 | 02 35 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 36 00 1c 00 00 00 31 3b | .5.....9;1-1-6;2-1-19;..6.....1; |
37a80 | 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 32 3b 32 2d 31 2d 36 3b 00 02 37 00 16 00 00 | 1-1-2;1-1-19;2-2-2;2-1-6;..7.... |
37aa0 | 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 38 00 0f 00 00 00 32 3b | .2;1-1-1;1-1-2;2-1-19;..8.....2; |
37ac0 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 11 00 00 00 4f 43 28 3d 4e | 1-1-2;2-1-1;....smiles.....OC(=N |
37ae0 | 29 4e 28 4e 3d 4f 29 43 43 3d 43 00 02 69 6e 63 68 69 00 38 00 00 00 49 6e 43 68 49 3d 31 53 2f | )N(N=O)CC=C..inchi.8...InChI=1S/ |
37b00 | 43 34 48 37 4e 33 4f 32 2f 63 31 2d 32 2d 33 2d 37 28 36 2d 39 29 34 28 35 29 38 2f 68 32 48 2c | C4H7N3O2/c1-2-3-7(6-9)4(5)8/h2H, |
37b20 | 31 2c 33 48 32 2c 28 48 32 2c 35 2c 38 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 a5 f4 5e 46 50 | 1,3H2,(H2,5,8)..updated_at...^FP |
37b40 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a3 f4 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at...^FP....default_ |
37b60 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 2e 01 00 00 07 5f 69 64 00 56 | fingerprint_size..........._id.V |
37b80 | 16 1c 67 2b 72 ed 2b 40 00 01 0c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..g+r.+@....warnings.......finge |
37ba0 | 72 70 72 69 6e 74 73 00 74 00 00 00 04 4d 50 32 44 00 69 00 00 00 02 30 00 15 00 00 00 31 3b 31 | rprints.t....MP2D.i....0.....1;1 |
37bc0 | 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 00 0f 00 00 00 32 3b 31 2d 32 2d 31 | -1-2;2-1-1;2-1-2;..1.....2;1-2-1 |
37be0 | 3b 31 2d 31 2d 32 3b 00 02 32 00 0f 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 02 33 | ;1-1-2;..2.....2;1-1-2;2-2-1;..3 |
37c00 | 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 | .....1;1-1-2;2-1-1;2-1-2;....smi |
37c20 | 6c 65 73 00 08 00 00 00 43 43 28 3d 43 29 43 00 02 69 6e 63 68 69 00 22 00 00 00 49 6e 43 68 49 | les.....CC(=C)C..inchi."...InChI |
37c40 | 3d 31 53 2f 43 34 48 38 2f 63 31 2d 34 28 32 29 33 2f 68 31 48 32 2c 32 2d 33 48 33 00 09 75 70 | =1S/C4H8/c1-4(2)3/h1H2,2-3H3..up |
37c60 | 64 61 74 65 64 5f 61 74 00 ab f4 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 aa f4 5e | dated_at...^FP....created_at...^ |
37c80 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
37ca0 | 00 00 00 00 c9 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 0d 04 77 61 72 6e 69 6e | ........._id.V..g+r.+@....warnin |
37cc0 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 fc 00 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
37ce0 | f1 00 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 00 16 00 | .....0.....9;1-1-6;2-1-19;..1... |
37d00 | 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 32 00 1c 00 00 00 31 | ..6;1-1-9;1-1-19;2-2-1;..2.....1 |
37d20 | 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 33 00 22 00 | 9;1-2-1;1-1-6;2-1-2;2-1-9;..3.". |
37d40 | 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 | ..1;1-1-2;1-1-19;2-2-1;2-1-6;2-1 |
37d60 | 2d 39 3b 00 02 34 00 16 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b | -9;..4.....2;1-2-1;1-1-9;2-1-19; |
37d80 | 00 02 35 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 02 36 00 15 00 00 00 31 3b | ..5.....9;1-1-2;2-2-1;..6.....1; |
37da0 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 37 00 16 00 00 00 31 3b 31 2d 31 2d | 1-1-2;2-1-1;2-1-9;..7.....1;1-1- |
37dc0 | 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 0f 00 00 00 4f 3d | 19;2-1-1;2-1-6;....smiles.....O= |
37de0 | 4e 4e 28 43 43 28 3d 4f 29 43 29 43 00 02 69 6e 63 68 69 00 2e 00 00 00 49 6e 43 68 49 3d 31 53 | NN(CC(=O)C)C..inchi.....InChI=1S |
37e00 | 2f 43 34 48 38 4e 32 4f 32 2f 63 31 2d 34 28 37 29 33 2d 36 28 32 29 35 2d 38 2f 68 33 48 32 2c | /C4H8N2O2/c1-4(7)3-6(2)5-8/h3H2, |
37e20 | 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 b2 f4 5e 46 50 01 00 00 09 63 72 65 61 74 | 1-2H3..updated_at...^FP....creat |
37e40 | 65 64 5f 61 74 00 b0 f4 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at...^FP....default_fingerpri |
37e60 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 de 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 | nt_size..........._id.V..g+r.+@. |
37e80 | 01 0e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 0f | ...warnings.......fingerprints.. |
37ea0 | 01 00 00 04 4d 50 32 44 00 04 01 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d | ....MP2D......0.....9;1-1-6;2-1- |
37ec0 | 31 39 3b 00 02 31 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b | 19;..1.....6;1-1-9;1-1-19;2-2-1; |
37ee0 | 00 02 32 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d 31 | ..2.....19;1-2-1;1-1-6;2-2-1;2-1 |
37f00 | 2d 39 3b 00 02 33 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b | -9;..3.....1;1-1-1;1-1-19;2-2-1; |
37f20 | 32 2d 31 2d 36 3b 00 02 34 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d | 2-1-6;..4.....1;1-2-1;2-1-1;2-1- |
37f40 | 38 3b 32 2d 31 2d 31 39 3b 00 02 35 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 | 8;2-1-19;..5.....1;1-2-1;1-1-8;2 |
37f60 | 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 36 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -1-1;2-1-19;..6."...1;1-1-1;1-1- |
37f80 | 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 37 00 0f 00 00 00 38 3b 31 | 19;2-2-1;2-1-6;2-1-8;..7.....8;1 |
37fa0 | 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 0e 00 00 00 4f 3d 4e 4e 31 43 | -1-1;2-2-1;....smiles.....O=NN1C |
37fc0 | 43 43 28 43 31 29 4f 00 02 69 6e 63 68 69 00 31 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 38 | CC(C1)O..inchi.1...InChI=1S/C4H8 |
37fe0 | 4e 32 4f 32 2f 63 37 2d 34 2d 31 2d 32 2d 36 28 33 2d 34 29 35 2d 38 2f 68 34 2c 37 48 2c 31 2d | N2O2/c7-4-1-2-6(3-4)5-8/h4,7H,1- |
38000 | 33 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 b8 f4 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 | 3H2..updated_at...^FP....created |
38020 | 5f 61 74 00 b6 f4 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...^FP....default_fingerprint |
38040 | 5f 73 69 7a 65 00 00 00 00 00 00 5e 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 0f | _size......^...._id.V..g+r.+@... |
38060 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 9c 00 00 | .warnings.......fingerprints.... |
38080 | 00 04 4d 50 32 44 00 91 00 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b | ..MP2D......0.....1;1-1-1;2-1-1; |
380a0 | 00 02 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 00 | ..1.....1;1-2-1;2-1-1;2-1-8;..2. |
380c0 | 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 | ....1;1-2-1;1-1-8;2-2-1;2-1-8;.. |
380e0 | 33 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b | 3.....1;1-1-1;1-1-8;2-2-1;2-1-8; |
38100 | 00 02 34 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 | ..4.....8;1-2-1;2-3-1;....smiles |
38120 | 00 08 00 00 00 43 43 43 31 43 4f 31 00 02 69 6e 63 68 69 00 2a 00 00 00 49 6e 43 68 49 3d 31 53 | .....CCC1CO1..inchi.*...InChI=1S |
38140 | 2f 43 34 48 38 4f 2f 63 31 2d 32 2d 34 2d 33 2d 35 2d 34 2f 68 34 48 2c 32 2d 33 48 32 2c 31 48 | /C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H |
38160 | 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 be f4 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | 3..updated_at...^FP....created_a |
38180 | 74 00 bd f4 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t...^FP....default_fingerprint_s |
381a0 | 69 7a 65 00 00 00 00 00 00 df 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 10 04 77 | ize..........._id.V..g+r.+@....w |
381c0 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 15 01 00 00 04 | arnings.......fingerprints...... |
381e0 | 4d 50 32 44 00 0a 01 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 | MP2D......0.....9;1-1-6;2-1-19;. |
38200 | 02 31 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 32 00 | .1.....6;1-1-9;1-1-19;2-2-1;..2. |
38220 | 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 | ....19;1-2-1;1-1-6;2-2-1;2-1-9;. |
38240 | 02 33 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d | .3."...1;1-1-1;1-1-19;2-1-1;2-1- |
38260 | 35 3b 32 2d 31 2d 36 3b 00 02 34 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d | 5;2-1-6;..4.....1;1-1-1;1-1-5;2- |
38280 | 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 35 00 0f 00 00 00 35 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 | 1-1;2-1-19;..5.....5;1-2-1;2-2-1 |
382a0 | 3b 00 02 36 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 | ;..6.....1;1-1-1;1-1-5;2-1-1;2-1 |
382c0 | 2d 31 39 3b 00 02 37 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 | -19;..7."...1;1-1-1;1-1-19;2-1-1 |
382e0 | 3b 32 2d 31 2d 35 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 0c 00 00 00 4f 3d 4e 4e | ;2-1-5;2-1-6;....smiles.....O=NN |
38300 | 31 43 43 4e 43 43 31 00 02 69 6e 63 68 69 00 2e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 39 | 1CCNCC1..inchi.....InChI=1S/C4H9 |
38320 | 4e 33 4f 2f 63 38 2d 36 2d 37 2d 33 2d 31 2d 35 2d 32 2d 34 2d 37 2f 68 35 48 2c 31 2d 34 48 32 | N3O/c8-6-7-3-1-5-2-4-7/h5H,1-4H2 |
38340 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 c5 f4 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at...^FP....created_at |
38360 | 00 c3 f4 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | ...^FP....default_fingerprint_si |
38380 | 7a 65 00 00 00 00 00 00 0b 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 11 04 77 61 | ze..........._id.V..g+r.+@....wa |
383a0 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 32 01 00 00 04 4d | rnings.......fingerprints.2....M |
383c0 | 50 32 44 00 27 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 | P2D.'....0.....1;1-1-1;2-1-1;..1 |
383e0 | 00 10 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 32 00 22 00 00 00 31 3b 31 2d | .....1;1-2-1;2-1-19;..2."...1;1- |
38400 | 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 33 | 1-1;1-1-19;2-1-1;2-1-2;2-1-6;..3 |
38420 | 00 28 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b | .(...19;1-1-1;1-1-2;1-1-6;2-1-1; |
38440 | 32 2d 31 2d 36 3b 32 2d 32 2d 39 3b 00 02 34 00 22 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d | 2-1-6;2-2-9;..4."...2;1-1-6;1-1- |
38460 | 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 35 00 16 00 00 00 36 3b 31 | 9;1-1-19;2-1-1;2-1-6;..5.....6;1 |
38480 | 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 36 00 16 00 00 00 39 3b 31 2d 31 2d | -1-2;2-1-9;2-1-19;..6.....9;1-1- |
384a0 | 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 37 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 | 2;2-1-6;2-1-19;..7.....6;1-1-9;1 |
384c0 | 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 38 00 10 00 00 00 39 3b 31 2d 31 2d | -1-19;2-1-1;2-1-2;..8.....9;1-1- |
384e0 | 36 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 10 00 00 00 43 43 43 4e 28 43 28 3d | 6;2-1-19;....smiles.....CCCN(C(= |
38500 | 4e 29 4f 29 4e 3d 4f 00 02 69 6e 63 68 69 00 39 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 39 | N)O)N=O..inchi.9...InChI=1S/C4H9 |
38520 | 4e 33 4f 32 2f 63 31 2d 32 2d 33 2d 37 28 36 2d 39 29 34 28 35 29 38 2f 68 32 2d 33 48 32 2c 31 | N3O2/c1-2-3-7(6-9)4(5)8/h2-3H2,1 |
38540 | 48 33 2c 28 48 32 2c 35 2c 38 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 cb f4 5e 46 50 01 00 00 | H3,(H2,5,8)..updated_at...^FP... |
38560 | 09 63 72 65 61 74 65 64 5f 61 74 00 ca f4 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at...^FP....default_fin |
38580 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 30 02 00 00 07 5f 69 64 00 56 16 1c 67 | gerprint_size......0...._id.V..g |
385a0 | 2b 72 ed 2b 40 00 01 12 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.+@....warnings.......fingerpr |
385c0 | 69 6e 74 73 00 54 01 00 00 04 4d 50 32 44 00 49 01 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d | ints.T....MP2D.I....0.....8;1-1- |
385e0 | 31 3b 32 2d 31 2d 31 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d | 1;2-1-1;..1.....1;1-1-1;1-1-8;2- |
38600 | 31 2d 31 3b 00 02 32 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 39 | 1-1;..2.....1;1-2-1;2-1-8;2-1-19 |
38620 | 3b 00 02 33 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d | ;..3."...1;1-1-1;1-1-19;2-1-1;2- |
38640 | 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 34 00 28 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | 1-2;2-1-6;..4.(...19;1-1-1;1-1-2 |
38660 | 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 32 2d 39 3b 00 02 35 00 22 00 00 | ;1-1-6;2-1-1;2-1-6;2-2-9;..5.".. |
38680 | 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d | .2;1-1-6;1-1-9;1-1-19;2-1-1;2-1- |
386a0 | 36 3b 00 02 36 00 16 00 00 00 36 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 | 6;..6.....6;1-1-2;2-1-9;2-1-19;. |
386c0 | 02 37 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 38 00 | .7.....9;1-1-2;2-1-6;2-1-19;..8. |
386e0 | 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 | ....6;1-1-9;1-1-19;2-1-1;2-1-2;. |
38700 | 02 39 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 | .9.....9;1-1-6;2-1-19;....smiles |
38720 | 00 11 00 00 00 4f 43 43 43 4e 28 43 28 3d 4e 29 4f 29 4e 3d 4f 00 02 69 6e 63 68 69 00 3b 00 00 | .....OCCCN(C(=N)O)N=O..inchi.;.. |
38740 | 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 39 4e 33 4f 33 2f 63 35 2d 34 28 39 29 37 28 36 2d 31 30 | .InChI=1S/C4H9N3O3/c5-4(9)7(6-10 |
38760 | 29 32 2d 31 2d 33 2d 38 2f 68 38 48 2c 31 2d 33 48 32 2c 28 48 32 2c 35 2c 39 29 00 09 75 70 64 | )2-1-3-8/h8H,1-3H2,(H2,5,9)..upd |
38780 | 61 74 65 64 5f 61 74 00 d1 f4 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d0 f4 5e 46 | ated_at...^FP....created_at...^F |
387a0 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
387c0 | 00 00 00 7d 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 13 04 77 61 72 6e 69 6e 67 | ...}...._id.V..g+r.+@....warning |
387e0 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 94 01 00 00 04 4d 50 32 44 00 89 | s.......fingerprints......MP2D.. |
38800 | 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 10 00 00 00 | ....0.....1;1-1-1;2-1-1;..1..... |
38820 | 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 32 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | 1;1-2-1;2-1-19;..2.#...1;1-1-1;1 |
38840 | 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 33 33 3b 00 02 33 00 2a 00 00 | -1-19;2-1-1;2-1-6;2-1-33;..3.*.. |
38860 | 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 33 33 3b 32 2d 31 2d 31 3b 32 2d 31 | .19;1-1-1;1-1-6;1-1-33;2-1-1;2-1 |
38880 | 2d 39 3b 32 2d 32 2d 31 39 3b 00 02 34 00 1e 00 00 00 33 33 3b 31 2d 33 2d 31 39 3b 32 2d 31 2d | -9;2-2-19;..4.....33;1-3-19;2-1- |
388a0 | 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 35 00 12 00 00 00 31 39 3b 31 2d 31 2d 33 33 | 1;2-1-6;2-1-19;..5.....19;1-1-33 |
388c0 | 3b 32 2d 32 2d 31 39 3b 00 02 36 00 1f 00 00 00 31 39 3b 31 2d 31 2d 31 39 3b 31 2d 31 2d 33 33 | ;2-2-19;..6.....19;1-1-19;1-1-33 |
388e0 | 3b 32 2d 32 2d 39 3b 32 2d 32 2d 31 39 3b 00 02 37 00 18 00 00 00 31 39 3b 31 2d 32 2d 39 3b 31 | ;2-2-9;2-2-19;..7.....19;1-2-9;1 |
38900 | 2d 31 2d 31 39 3b 32 2d 31 2d 33 33 3b 00 02 38 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d | -1-19;2-1-33;..8.....9;1-1-19;2- |
38920 | 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 39 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d | 1-9;2-1-19;..9.....9;1-1-19;2-1- |
38940 | 39 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 1d 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 | 9;2-1-19;..10.....6;1-1-9;1-1-19 |
38960 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 33 3b 00 02 31 31 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 | ;2-1-1;2-1-33;..11.....9;1-1-6;2 |
38980 | 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 17 00 00 00 43 43 43 4e 28 43 28 3d 4e 29 4e | -1-19;....smiles.....CCCN(C(=N)N |
389a0 | 4e 28 3d 4f 29 3d 4f 29 4e 3d 4f 00 02 69 6e 63 68 69 00 42 00 00 00 49 6e 43 68 49 3d 31 53 2f | N(=O)=O)N=O..inchi.B...InChI=1S/ |
389c0 | 43 34 48 39 4e 35 4f 33 2f 63 31 2d 32 2d 33 2d 38 28 37 2d 31 30 29 34 28 35 29 36 2d 39 28 31 | C4H9N5O3/c1-2-3-8(7-10)4(5)6-9(1 |
389e0 | 31 29 31 32 2f 68 32 2d 33 48 32 2c 31 48 33 2c 28 48 32 2c 35 2c 36 29 00 09 75 70 64 61 74 65 | 1)12/h2-3H2,1H3,(H2,5,6)..update |
38a00 | 64 5f 61 74 00 d7 f4 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d6 f4 5e 46 50 01 00 | d_at...^FP....created_at...^FP.. |
38a20 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 | ..default_fingerprint_size...... |
38a40 | 7d 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 14 04 77 61 72 6e 69 6e 67 73 00 05 | }...._id.V..g+r.+@....warnings.. |
38a60 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b8 00 00 00 04 4d 50 32 44 00 ad 00 00 00 | .....fingerprints......MP2D..... |
38a80 | 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 00 1b | .0.....1;1-1-2;2-1-1;2-1-6;..1.. |
38aa0 | 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 32 | ...2;1-2-1;1-1-6;2-1-1;2-1-9;..2 |
38ac0 | 00 15 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 00 02 33 00 0f 00 00 | .....6;1-1-2;1-1-9;2-2-1;..3.... |
38ae0 | 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 00 02 34 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | .9;1-1-6;2-1-2;..4.....1;1-1-1;1 |
38b00 | 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 35 00 0f 00 00 00 31 3b 31 2d 31 2d 31 | -1-2;2-1-1;2-1-6;..5.....1;1-1-1 |
38b20 | 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 0a 00 00 00 43 43 28 3d 4e 4f 29 43 43 00 | ;2-1-2;....smiles.....CC(=NO)CC. |
38b40 | 02 69 6e 63 68 69 00 2b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 39 4e 4f 2f 63 31 2d 33 2d | .inchi.+...InChI=1S/C4H9NO/c1-3- |
38b60 | 34 28 32 29 35 2d 36 2f 68 36 48 2c 33 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 | 4(2)5-6/h6H,3H2,1-2H3..updated_a |
38b80 | 74 00 dd f4 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 db f4 5e 46 50 01 00 00 10 64 | t...^FP....created_at...^FP....d |
38ba0 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 a6 01 00 | efault_fingerprint_size......... |
38bc0 | 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 15 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V..g+r.+@....warnings..... |
38be0 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 da 00 00 00 04 4d 50 32 44 00 cf 00 00 00 02 30 00 | ..fingerprints......MP2D......0. |
38c00 | 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 32 2d | ....1;1-1-1;2-1-1;..1.....1;1-2- |
38c20 | 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 32 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 | 1;2-1-1;2-1-19;..2.....1;1-2-1;1 |
38c40 | 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 39 3b 00 02 33 00 16 00 00 00 31 39 3b 31 2d 31 | -1-19;2-1-1;2-2-9;..3.....19;1-1 |
38c60 | 2d 31 3b 31 2d 32 2d 39 3b 32 2d 32 2d 31 3b 00 02 34 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b | -1;1-2-9;2-2-1;..4.....9;1-1-19; |
38c80 | 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 35 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 | 2-1-1;2-1-9;..5.....9;1-1-19;2-1 |
38ca0 | 2d 31 3b 32 2d 31 2d 39 3b 00 02 36 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 | -1;2-1-9;..6.....1;1-1-1;2-1-1;2 |
38cc0 | 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 0e 00 00 00 43 43 43 28 4e 28 3d 4f 29 3d 4f | -1-19;....smiles.....CCC(N(=O)=O |
38ce0 | 29 43 00 02 69 6e 63 68 69 00 2e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 39 4e 4f 32 2f 63 | )C..inchi.....InChI=1S/C4H9NO2/c |
38d00 | 31 2d 33 2d 34 28 32 29 35 28 36 29 37 2f 68 34 48 2c 33 48 32 2c 31 2d 32 48 33 00 09 75 70 64 | 1-3-4(2)5(6)7/h4H,3H2,1-2H3..upd |
38d20 | 61 74 65 64 5f 61 74 00 e2 f4 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e1 f4 5e 46 | ated_at...^FP....created_at...^F |
38d40 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
38d60 | 00 00 00 8b 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 16 04 77 61 72 6e 69 6e 67 | ........_id.V..g+r.+@....warning |
38d80 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c2 00 00 00 04 4d 50 32 44 00 b7 | s.......fingerprints......MP2D.. |
38da0 | 00 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 00 0f 00 00 00 | ....0.....1;1-1-1;2-2-1;..1..... |
38dc0 | 31 3b 31 2d 33 2d 31 3b 32 2d 31 2d 39 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | 1;1-3-1;2-1-9;..2.....1;1-1-1;1- |
38de0 | 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 33 00 1b 00 00 00 39 3b 31 2d 31 2d 31 3b | 1-9;2-2-1;2-1-6;..3.....9;1-1-1; |
38e00 | 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 34 00 0f 00 00 00 36 3b 31 2d 32 2d | 1-1-6;2-1-1;2-1-9;..4.....6;1-2- |
38e20 | 39 3b 32 2d 31 2d 31 3b 00 02 35 00 0f 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 | 9;2-1-1;..5.....9;1-1-6;2-1-9;.. |
38e40 | 36 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 0b | 6.....1;1-1-1;2-2-1;....smiles.. |
38e60 | 00 00 00 43 43 28 43 4f 4e 3d 4f 29 43 00 02 69 6e 63 68 69 00 2e 00 00 00 49 6e 43 68 49 3d 31 | ...CC(CON=O)C..inchi.....InChI=1 |
38e80 | 53 2f 43 34 48 39 4e 4f 32 2f 63 31 2d 34 28 32 29 33 2d 37 2d 35 2d 36 2f 68 34 48 2c 33 48 32 | S/C4H9NO2/c1-4(2)3-7-5-6/h4H,3H2 |
38ea0 | 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 e7 f4 5e 46 50 01 00 00 09 63 72 65 61 | ,1-2H3..updated_at...^FP....crea |
38ec0 | 74 65 64 5f 61 74 00 e6 f4 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at...^FP....default_fingerpr |
38ee0 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 cc 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 | int_size..........._id.V..g+r.+@ |
38f00 | 00 01 17 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 | ....warnings.......fingerprints. |
38f20 | f9 00 00 00 04 4d 50 32 44 00 ee 00 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 | .....MP2D......0.....8;1-1-1;2-1 |
38f40 | 2d 31 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 00 | -1;..1.....1;1-1-1;1-1-8;2-3-1;. |
38f60 | 02 32 00 16 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 32 2d 38 3b 32 2d 32 2d 31 34 3b 00 02 33 00 | .2.....1;1-4-1;2-2-8;2-2-14;..3. |
38f80 | 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 34 3b 32 2d 33 2d 31 3b 00 02 34 00 10 00 00 | ....1;1-1-1;1-1-14;2-3-1;..4.... |
38fa0 | 00 31 34 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 35 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b | .14;1-1-1;2-1-1;..5.....1;1-1-1; |
38fc0 | 31 2d 31 2d 31 34 3b 32 2d 33 2d 31 3b 00 02 36 00 10 00 00 00 31 34 3b 31 2d 31 2d 31 3b 32 2d | 1-1-14;2-3-1;..6.....14;1-1-1;2- |
38fe0 | 31 2d 31 3b 00 02 37 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b | 1-1;..7.....1;1-1-1;1-1-8;2-3-1; |
39000 | 00 02 38 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 | ..8.....8;1-1-1;2-1-1;....smiles |
39020 | 00 10 00 00 00 4f 43 43 28 43 42 72 29 28 43 42 72 29 43 4f 00 02 69 6e 63 68 69 00 33 00 00 00 | .....OCC(CBr)(CBr)CO..inchi.3... |
39040 | 49 6e 43 68 49 3d 31 53 2f 43 35 48 31 30 42 72 32 4f 32 2f 63 36 2d 31 2d 35 28 32 2d 37 2c 33 | InChI=1S/C5H10Br2O2/c6-1-5(2-7,3 |
39060 | 2d 38 29 34 2d 39 2f 68 38 2d 39 48 2c 31 2d 34 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 ec | -8)4-9/h8-9H,1-4H2..updated_at.. |
39080 | f4 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 eb f4 5e 46 50 01 00 00 10 64 65 66 61 | .^FP....created_at...^FP....defa |
390a0 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 86 02 00 00 07 5f | ult_fingerprint_size..........._ |
390c0 | 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 18 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..g+r.+@....warnings.......f |
390e0 | 69 6e 67 65 72 70 72 69 6e 74 73 00 9d 01 00 00 04 4d 50 32 44 00 92 01 00 00 02 30 00 0f 00 00 | ingerprints......MP2D......0.... |
39100 | 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | .8;1-1-1;2-1-1;..1.....1;1-1-1;1 |
39120 | 2d 31 2d 38 3b 32 2d 31 2d 31 39 3b 00 02 32 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -1-8;2-1-19;..2."...1;1-1-1;1-1- |
39140 | 31 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 33 00 28 00 00 00 31 39 3b | 19;2-1-2;2-1-6;2-1-8;..3.(...19; |
39160 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d | 1-1-1;1-1-2;1-1-6;2-1-1;2-1-6;2- |
39180 | 32 2d 39 3b 00 02 34 00 22 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 | 2-9;..4."...2;1-1-6;1-1-9;1-1-19 |
391a0 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 35 00 22 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 | ;2-2-1;2-1-6;..5."...6;1-1-1;1-1 |
391c0 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 36 00 1c 00 00 00 31 3b | -2;2-1-1;2-1-9;2-1-19;..6.....1; |
391e0 | 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 37 00 16 00 00 | 1-1-1;1-1-6;2-1-2;2-1-15;..7.... |
39200 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 36 3b 00 02 38 00 10 00 00 00 31 35 | .1;1-1-1;1-1-15;2-1-6;..8.....15 |
39220 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 39 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 | ;1-1-1;2-1-1;..9.....9;1-1-2;2-1 |
39240 | 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 | -6;2-1-19;..10.....6;1-1-9;1-1-1 |
39260 | 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 31 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 | 9;2-1-1;2-1-2;..11.....9;1-1-6;2 |
39280 | 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 14 00 00 00 4f 43 43 4e 28 43 28 3d 4e 43 43 | -1-19;....smiles.....OCCN(C(=NCC |
392a0 | 43 6c 29 4f 29 4e 3d 4f 00 02 69 6e 63 68 69 00 45 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 | Cl)O)N=O..inchi.E...InChI=1S/C5H |
392c0 | 31 30 43 6c 4e 33 4f 33 2f 63 36 2d 31 2d 32 2d 37 2d 35 28 31 31 29 39 28 38 2d 31 32 29 33 2d | 10ClN3O3/c6-1-2-7-5(11)9(8-12)3- |
392e0 | 34 2d 31 30 2f 68 31 30 48 2c 31 2d 34 48 32 2c 28 48 2c 37 2c 31 31 29 00 09 75 70 64 61 74 65 | 4-10/h10H,1-4H2,(H,7,11)..update |
39300 | 64 5f 61 74 00 f2 f4 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f1 f4 5e 46 50 01 00 | d_at...^FP....created_at...^FP.. |
39320 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 | ..default_fingerprint_size...... |
39340 | f7 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 19 04 77 61 72 6e 69 6e 67 73 00 05 | ....._id.V..g+r.+@....warnings.. |
39360 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 25 01 00 00 04 4d 50 32 44 00 1a 01 00 00 | .....fingerprints.%....MP2D..... |
39380 | 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 16 00 00 00 31 3b 31 | .0.....8;1-1-1;2-1-1;..1.....1;1 |
393a0 | 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 39 3b 00 02 32 00 22 00 00 00 31 3b 31 2d 31 2d | -1-1;1-1-8;2-1-19;..2."...1;1-1- |
393c0 | 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 33 00 22 | 1;1-1-19;2-1-1;2-1-6;2-1-8;..3." |
393e0 | 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d | ...19;1-2-1;1-1-6;2-1-1;2-1-2;2- |
39400 | 31 2d 39 3b 00 02 34 00 22 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 | 1-9;..4."...1;1-1-2;1-1-19;2-1-1 |
39420 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 35 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 | ;2-1-2;2-1-6;..5.....2;1-1-1;1-1 |
39440 | 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 36 00 0f 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b | -2;2-1-19;..6.....2;1-1-2;2-1-1; |
39460 | 00 02 37 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 38 | ..7.....6;1-1-9;1-1-19;2-2-1;..8 |
39480 | 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 0e | .....9;1-1-6;2-1-19;....smiles.. |
394a0 | 00 00 00 4f 43 43 4e 28 43 43 3d 43 29 4e 3d 4f 00 02 69 6e 63 68 69 00 34 00 00 00 49 6e 43 68 | ...OCCN(CC=C)N=O..inchi.4...InCh |
394c0 | 49 3d 31 53 2f 43 35 48 31 30 4e 32 4f 32 2f 63 31 2d 32 2d 33 2d 37 28 36 2d 39 29 34 2d 35 2d | I=1S/C5H10N2O2/c1-2-3-7(6-9)4-5- |
394e0 | 38 2f 68 32 2c 38 48 2c 31 2c 33 2d 35 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 f8 f4 5e 46 | 8/h2,8H,1,3-5H2..updated_at...^F |
39500 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f6 f4 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at...^FP....default |
39520 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 2b 02 00 00 07 5f 69 64 00 | _fingerprint_size......+...._id. |
39540 | 56 16 1c 67 2b 72 ed 2b 40 00 01 1a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..g+r.+@....warnings.......fing |
39560 | 65 72 70 72 69 6e 74 73 00 54 01 00 00 04 4d 50 32 44 00 49 01 00 00 02 30 00 0f 00 00 00 31 3b | erprints.T....MP2D.I....0.....1; |
39580 | 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 1-1-1;2-1-8;..1.....1;1-1-1;1-1- |
395a0 | 38 3b 32 2d 31 2d 32 3b 00 02 32 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d | 8;2-1-2;..2."...8;1-1-1;1-1-2;2- |
395c0 | 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 33 00 22 00 00 00 32 3b 31 2d 31 2d 38 | 1-1;2-1-9;2-1-28;..3."...2;1-1-8 |
395e0 | 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 34 00 16 00 | ;1-1-9;1-1-28;2-2-1;2-1-6;..4... |
39600 | 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 35 00 28 00 00 00 32 | ..9;1-1-2;2-1-8;2-1-28;..5.(...2 |
39620 | 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b | 8;1-1-1;1-1-2;1-1-6;2-1-1;2-1-8; |
39640 | 32 2d 32 2d 39 3b 00 02 36 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 | 2-2-9;..6.....6;1-1-9;1-1-28;2-1 |
39660 | 2d 31 3b 32 2d 31 2d 32 3b 00 02 37 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 38 3b | -1;2-1-2;..7.....9;1-1-6;2-1-28; |
39680 | 00 02 38 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 | ..8.....1;1-1-1;1-1-28;2-1-2;2-1 |
396a0 | 2d 36 3b 00 02 39 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 6d | -6;..9.....1;1-1-1;2-1-28;....sm |
396c0 | 69 6c 65 73 00 11 00 00 00 43 43 4f 43 28 3d 4f 29 4e 28 4e 3d 4f 29 43 43 00 02 69 6e 63 68 69 | iles.....CCOC(=O)N(N=O)CC..inchi |
396e0 | 00 36 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 31 30 4e 32 4f 33 2f 63 31 2d 33 2d 37 28 36 | .6...InChI=1S/C5H10N2O3/c1-3-7(6 |
39700 | 2d 39 29 35 28 38 29 31 30 2d 34 2d 32 2f 68 33 2d 34 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 | -9)5(8)10-4-2/h3-4H2,1-2H3..upda |
39720 | 74 65 64 5f 61 74 00 fd f4 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 fc f4 5e 46 50 | ted_at...^FP....created_at...^FP |
39740 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
39760 | 00 00 1d 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 1b 04 77 61 72 6e 69 6e 67 73 | ......._id.V..g+r.+@....warnings |
39780 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 40 01 00 00 04 4d 50 32 44 00 35 01 | .......fingerprints.@....MP2D.5. |
397a0 | 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 00 16 00 00 00 | ...0.....9;1-1-6;2-1-19;..1..... |
397c0 | 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 32 00 1c 00 00 00 31 39 3b | 6;1-1-9;1-1-19;2-2-1;..2.....19; |
397e0 | 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 1c 00 00 00 | 1-2-1;1-1-6;2-1-1;2-1-9;..3..... |
39800 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 34 00 16 | 1;1-1-1;1-1-19;2-2-1;2-1-6;..4.. |
39820 | 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 35 00 1c 00 00 00 | ...1;1-2-1;2-1-2;2-1-19;..5..... |
39840 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 32 3b 00 02 36 00 16 | 1;1-1-1;1-1-2;2-1-1;2-2-32;..6.. |
39860 | 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d 31 3b 00 02 37 00 17 00 00 00 | ...2;1-1-1;1-2-32;2-1-1;..7..... |
39880 | 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 38 00 17 00 00 00 33 32 | 32;1-1-2;2-1-1;2-1-32;..8.....32 |
398a0 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 39 00 16 00 00 00 31 3b 31 2d | ;1-1-2;2-1-1;2-1-32;..9.....1;1- |
398c0 | 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 11 00 00 00 | 1-19;2-1-1;2-1-6;....smiles..... |
398e0 | 4f 3d 4e 4e 28 43 43 43 43 28 3d 4f 29 4f 29 43 00 02 69 6e 63 68 69 00 3c 00 00 00 49 6e 43 68 | O=NN(CCCC(=O)O)C..inchi.<...InCh |
39900 | 49 3d 31 53 2f 43 35 48 31 30 4e 32 4f 33 2f 63 31 2d 37 28 36 2d 31 30 29 34 2d 32 2d 33 2d 35 | I=1S/C5H10N2O3/c1-7(6-10)4-2-3-5 |
39920 | 28 38 29 39 2f 68 32 2d 34 48 32 2c 31 48 33 2c 28 48 2c 38 2c 39 29 00 09 75 70 64 61 74 65 64 | (8)9/h2-4H2,1H3,(H,8,9)..updated |
39940 | 5f 61 74 00 03 f5 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 02 f5 5e 46 50 01 00 00 | _at...^FP....created_at...^FP... |
39960 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 19 | .default_fingerprint_size....... |
39980 | 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 1c 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..g+r.+@....warnings... |
399a0 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 45 01 00 00 04 4d 50 32 44 00 3a 01 00 00 02 | ....fingerprints.E....MP2D.:.... |
399c0 | 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 15 00 00 00 31 3b 31 2d | 0.....8;1-1-1;2-1-1;..1.....1;1- |
399e0 | 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 35 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b | 1-1;1-1-8;2-1-5;..2.....1;1-1-1; |
39a00 | 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 00 0f 00 00 00 35 3b 31 2d 32 2d | 1-1-5;2-1-1;2-1-8;..3.....5;1-2- |
39a20 | 31 3b 32 2d 32 2d 31 3b 00 02 34 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d | 1;2-2-1;..4.....1;1-1-1;1-1-5;2- |
39a40 | 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 35 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | 1-1;2-1-2;..5."...1;1-1-1;1-1-2; |
39a60 | 32 2d 31 2d 35 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 36 00 22 00 00 00 32 3b 31 2d 31 | 2-1-5;2-1-9;2-1-28;..6."...2;1-1 |
39a80 | 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 37 00 | -1;1-1-9;1-1-28;2-1-1;2-1-9;..7. |
39aa0 | 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 38 00 1c 00 00 | ....9;1-1-2;2-1-1;2-1-28;..8.... |
39ac0 | 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 39 00 | .28;1-1-2;1-1-9;2-1-1;2-1-9;..9. |
39ae0 | 10 00 00 00 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 0f 00 | ....9;1-1-28;2-1-2;....smiles... |
39b00 | 00 00 4f 43 43 4e 43 43 43 28 3d 4f 29 4e 3d 4f 00 02 69 6e 63 68 69 00 35 00 00 00 49 6e 43 68 | ..OCCNCCC(=O)N=O..inchi.5...InCh |
39b20 | 49 3d 31 53 2f 43 35 48 31 30 4e 32 4f 33 2f 63 38 2d 34 2d 33 2d 36 2d 32 2d 31 2d 35 28 39 29 | I=1S/C5H10N2O3/c8-4-3-6-2-1-5(9) |
39b40 | 37 2d 31 30 2f 68 36 2c 38 48 2c 31 2d 34 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 09 f5 5e | 7-10/h6,8H,1-4H2..updated_at...^ |
39b60 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 07 f5 5e 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at...^FP....defaul |
39b80 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 b6 01 00 00 07 5f 69 64 | t_fingerprint_size..........._id |
39ba0 | 00 56 16 1c 67 2b 72 ed 2b 40 00 01 1d 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..g+r.+@....warnings.......fin |
39bc0 | 67 65 72 70 72 69 6e 74 73 00 ea 00 00 00 04 4d 50 32 44 00 df 00 00 00 02 30 00 10 00 00 00 31 | gerprints......MP2D......0.....1 |
39be0 | 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | 5;1-1-1;2-1-1;..1.....1;1-1-1;1- |
39c00 | 31 2d 31 35 3b 32 2d 31 2d 35 3b 00 02 32 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 | 1-15;2-1-5;..2.....1;1-1-1;1-1-5 |
39c20 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 33 00 0f 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d | ;2-2-1;2-1-15;..3.....5;1-3-1;2- |
39c40 | 32 2d 31 3b 00 02 34 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b | 2-1;..4.....1;1-1-1;1-1-5;2-2-1; |
39c60 | 32 2d 31 2d 31 35 3b 00 02 35 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d | 2-1-15;..5.....1;1-1-1;1-1-15;2- |
39c80 | 31 2d 35 3b 00 02 36 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 37 00 0f | 1-5;..6.....15;1-1-1;2-1-1;..7.. |
39ca0 | 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 0d 00 00 00 | ...1;1-1-5;2-2-1;....smiles..... |
39cc0 | 43 6c 43 43 4e 28 43 43 43 6c 29 43 00 02 69 6e 63 68 69 00 2f 00 00 00 49 6e 43 68 49 3d 31 53 | ClCCN(CCCl)C..inchi./...InChI=1S |
39ce0 | 2f 43 35 48 31 31 43 6c 32 4e 2f 63 31 2d 38 28 34 2d 32 2d 36 29 35 2d 33 2d 37 2f 68 32 2d 35 | /C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5 |
39d00 | 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 0e f5 5e 46 50 01 00 00 09 63 72 65 61 | H2,1H3..updated_at...^FP....crea |
39d20 | 74 65 64 5f 61 74 00 0d f5 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at...^FP....default_fingerpr |
39d40 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 2c 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 | int_size......,...._id.V..g+r.+@ |
39d60 | 00 01 1e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 | ....warnings.......fingerprints. |
39d80 | 4e 01 00 00 04 4d 50 32 44 00 43 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 | N....MP2D.C....0.....1;1-1-1;2-1 |
39da0 | 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 00 16 00 00 | -1;..1.....1;1-2-1;2-1-1;..2.... |
39dc0 | 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 33 00 22 00 00 00 31 3b | .1;1-2-1;2-1-1;2-1-19;..3."...1; |
39de0 | 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 | 1-1-1;1-1-19;2-1-1;2-1-2;2-1-6;. |
39e00 | 02 34 00 28 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d | .4.(...19;1-1-1;1-1-2;1-1-6;2-1- |
39e20 | 31 3b 32 2d 31 2d 36 3b 32 2d 32 2d 39 3b 00 02 35 00 22 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d | 1;2-1-6;2-2-9;..5."...2;1-1-6;1- |
39e40 | 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 36 00 16 00 00 00 36 | 1-9;1-1-19;2-1-1;2-1-6;..6.....6 |
39e60 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 37 00 16 00 00 00 39 3b 31 2d | ;1-1-2;2-1-9;2-1-19;..7.....9;1- |
39e80 | 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 38 00 1c 00 00 00 36 3b 31 2d 31 2d 39 | 1-2;2-1-6;2-1-19;..8.....6;1-1-9 |
39ea0 | 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 39 00 10 00 00 00 39 3b 31 2d | ;1-1-19;2-1-1;2-1-2;..9.....9;1- |
39ec0 | 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 11 00 00 00 43 43 43 43 4e 28 | 1-6;2-1-19;....smiles.....CCCCN( |
39ee0 | 43 28 3d 4e 29 4f 29 4e 3d 4f 00 02 69 6e 63 68 69 00 3d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | C(=N)O)N=O..inchi.=...InChI=1S/C |
39f00 | 35 48 31 31 4e 33 4f 32 2f 63 31 2d 32 2d 33 2d 34 2d 38 28 37 2d 31 30 29 35 28 36 29 39 2f 68 | 5H11N3O2/c1-2-3-4-8(7-10)5(6)9/h |
39f20 | 32 2d 34 48 32 2c 31 48 33 2c 28 48 32 2c 36 2c 39 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 13 | 2-4H2,1H3,(H2,6,9)..updated_at.. |
39f40 | f5 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 12 f5 5e 46 50 01 00 00 10 64 65 66 61 | .^FP....created_at...^FP....defa |
39f60 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 2b 02 00 00 07 5f | ult_fingerprint_size......+...._ |
39f80 | 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 1f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..g+r.+@....warnings.......f |
39fa0 | 69 6e 67 65 72 70 72 69 6e 74 73 00 48 01 00 00 04 4d 50 32 44 00 3d 01 00 00 02 30 00 0f 00 00 | ingerprints.H....MP2D.=....0.... |
39fc0 | 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 00 10 00 00 00 31 3b 31 2d 33 2d 31 3b 32 | .1;1-1-1;2-2-1;..1.....1;1-3-1;2 |
39fe0 | 2d 31 2d 31 39 3b 00 02 32 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 | -1-19;..2."...1;1-1-1;1-1-19;2-2 |
3a000 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 33 00 28 00 00 00 31 39 3b 31 2d 31 2d 31 3b | -1;2-1-2;2-1-6;..3.(...19;1-1-1; |
3a020 | 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 32 2d 39 3b 00 02 | 1-1-2;1-1-6;2-1-1;2-1-6;2-2-9;.. |
3a040 | 34 00 22 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 | 4."...2;1-1-6;1-1-9;1-1-19;2-1-1 |
3a060 | 3b 32 2d 31 2d 36 3b 00 02 35 00 16 00 00 00 36 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 | ;2-1-6;..5.....6;1-1-2;2-1-9;2-1 |
3a080 | 2d 31 39 3b 00 02 36 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 | -19;..6.....9;1-1-2;2-1-6;2-1-19 |
3a0a0 | 3b 00 02 37 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d | ;..7.....6;1-1-9;1-1-19;2-1-1;2- |
3a0c0 | 31 2d 32 3b 00 02 38 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 39 00 0f | 1-2;..8.....9;1-1-6;2-1-19;..9.. |
3a0e0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 13 00 00 00 | ...1;1-1-1;2-2-1;....smiles..... |
3a100 | 43 43 28 43 4e 28 43 28 3d 4e 29 4f 29 4e 3d 4f 29 43 00 02 69 6e 63 68 69 00 40 00 00 00 49 6e | CC(CN(C(=N)O)N=O)C..inchi.@...In |
3a120 | 43 68 49 3d 31 53 2f 43 35 48 31 31 4e 33 4f 32 2f 63 31 2d 34 28 32 29 33 2d 38 28 37 2d 31 30 | ChI=1S/C5H11N3O2/c1-4(2)3-8(7-10 |
3a140 | 29 35 28 36 29 39 2f 68 34 48 2c 33 48 32 2c 31 2d 32 48 33 2c 28 48 32 2c 36 2c 39 29 00 09 75 | )5(6)9/h4H,3H2,1-2H3,(H2,6,9)..u |
3a160 | 70 64 61 74 65 64 5f 61 74 00 19 f5 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 18 f5 | pdated_at...^FP....created_at... |
3a180 | 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | ^FP....default_fingerprint_size. |
3a1a0 | 00 00 00 00 00 5c 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 20 04 77 61 72 6e 69 | .....\...._id.V..g+r.+@....warni |
3a1c0 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 77 01 00 00 04 4d 50 32 44 | ngs.......fingerprints.w....MP2D |
3a1e0 | 00 6c 01 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 16 00 | .l....0.....8;1-1-1;2-1-1;..1... |
3a200 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 39 3b 00 02 32 00 22 00 00 00 31 | ..1;1-1-1;1-1-8;2-1-19;..2."...1 |
3a220 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b | ;1-1-1;1-1-19;2-1-2;2-1-6;2-1-8; |
3a240 | 00 02 33 00 28 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 | ..3.(...19;1-1-1;1-1-2;1-1-6;2-1 |
3a260 | 2d 31 3b 32 2d 31 2d 36 3b 32 2d 32 2d 39 3b 00 02 34 00 22 00 00 00 32 3b 31 2d 31 2d 36 3b 31 | -1;2-1-6;2-2-9;..4."...2;1-1-6;1 |
3a280 | 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 35 00 22 00 00 00 | -1-9;1-1-19;2-2-1;2-1-6;..5."... |
3a2a0 | 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 | 6;1-1-1;1-1-2;2-1-1;2-1-9;2-1-19 |
3a2c0 | 3b 00 02 36 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 00 02 37 | ;..6.....1;1-1-1;1-1-6;2-1-2;..7 |
3a2e0 | 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 38 00 16 00 00 00 39 3b 31 2d 31 | .....1;1-1-1;2-1-6;..8.....9;1-1 |
3a300 | 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 39 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b | -2;2-1-6;2-1-19;..9.....6;1-1-9; |
3a320 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 30 00 10 00 00 00 39 3b 31 2d | 1-1-19;2-1-1;2-1-2;..10.....9;1- |
3a340 | 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 12 00 00 00 4f 43 43 4e 28 43 | 1-6;2-1-19;....smiles.....OCCN(C |
3a360 | 28 3d 4e 43 43 29 4f 29 4e 3d 4f 00 02 69 6e 63 68 69 00 43 00 00 00 49 6e 43 68 49 3d 31 53 2f | (=NCC)O)N=O..inchi.C...InChI=1S/ |
3a380 | 43 35 48 31 31 4e 33 4f 33 2f 63 31 2d 32 2d 36 2d 35 28 31 30 29 38 28 37 2d 31 31 29 33 2d 34 | C5H11N3O3/c1-2-6-5(10)8(7-11)3-4 |
3a3a0 | 2d 39 2f 68 39 48 2c 32 2d 34 48 32 2c 31 48 33 2c 28 48 2c 36 2c 31 30 29 00 09 75 70 64 61 74 | -9/h9H,2-4H2,1H3,(H,6,10)..updat |
3a3c0 | 65 64 5f 61 74 00 1f f5 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 1d f5 5e 46 50 01 | ed_at...^FP....created_at...^FP. |
3a3e0 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
3a400 | 00 5c 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 21 04 77 61 72 6e 69 6e 67 73 00 | .\...._id.V..g+r.+@..!.warnings. |
3a420 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 77 01 00 00 04 4d 50 32 44 00 6c 01 00 | ......fingerprints.w....MP2D.l.. |
3a440 | 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 15 00 00 00 31 3b | ..0.....8;1-1-1;2-1-1;..1.....1; |
3a460 | 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 36 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 31 2d | 1-1-1;1-1-8;2-1-6;..2.....1;1-1- |
3a480 | 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 33 00 22 00 00 00 36 3b 31 2d | 1;1-1-6;2-1-2;2-1-8;..3."...6;1- |
3a4a0 | 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 34 | 1-1;1-1-2;2-1-1;2-1-9;2-1-19;..4 |
3a4c0 | 00 22 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b | ."...2;1-1-6;1-1-9;1-1-19;2-2-1; |
3a4e0 | 32 2d 31 2d 36 3b 00 02 35 00 28 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 | 2-1-6;..5.(...19;1-1-1;1-1-2;1-1 |
3a500 | 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 32 2d 39 3b 00 02 36 00 1c 00 00 00 36 3b 31 | -6;2-1-1;2-1-6;2-2-9;..6.....6;1 |
3a520 | 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 37 00 10 00 00 00 | -1-9;1-1-19;2-1-1;2-1-2;..7..... |
3a540 | 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 38 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | 9;1-1-6;2-1-19;..8.....1;1-1-1;1 |
3a560 | 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 39 00 10 00 00 00 31 3b 31 2d 31 2d | -1-19;2-1-2;2-1-6;..9.....1;1-1- |
3a580 | 31 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b | 1;2-1-19;..10.....9;1-1-2;2-1-6; |
3a5a0 | 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 12 00 00 00 4f 43 43 4e 3d 43 28 4e 28 4e | 2-1-19;....smiles.....OCCN=C(N(N |
3a5c0 | 3d 4f 29 43 43 29 4f 00 02 69 6e 63 68 69 00 43 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 31 | =O)CC)O..inchi.C...InChI=1S/C5H1 |
3a5e0 | 31 4e 33 4f 33 2f 63 31 2d 32 2d 38 28 37 2d 31 31 29 35 28 31 30 29 36 2d 33 2d 34 2d 39 2f 68 | 1N3O3/c1-2-8(7-11)5(10)6-3-4-9/h |
3a600 | 39 48 2c 32 2d 34 48 32 2c 31 48 33 2c 28 48 2c 36 2c 31 30 29 00 09 75 70 64 61 74 65 64 5f 61 | 9H,2-4H2,1H3,(H,6,10)..updated_a |
3a620 | 74 00 24 f5 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 23 f5 5e 46 50 01 00 00 10 64 | t.$.^FP....created_at.#.^FP....d |
3a640 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 c2 01 00 | efault_fingerprint_size......... |
3a660 | 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 22 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V..g+r.+@..".warnings..... |
3a680 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 f0 00 00 00 04 4d 50 32 44 00 e5 00 00 00 02 30 00 | ..fingerprints......MP2D......0. |
3a6a0 | 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 32 2d | ....1;1-1-1;2-1-1;..1.....1;1-2- |
3a6c0 | 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 32 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 | 1;2-1-1;2-1-19;..2.....1;1-2-1;1 |
3a6e0 | 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 39 3b 00 02 33 00 16 00 00 00 31 39 3b 31 2d 31 | -1-19;2-2-1;2-2-9;..3.....19;1-1 |
3a700 | 2d 31 3b 31 2d 32 2d 39 3b 32 2d 32 2d 31 3b 00 02 34 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b | -1;1-2-9;2-2-1;..4.....9;1-1-19; |
3a720 | 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 35 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 | 2-1-1;2-1-9;..5.....9;1-1-19;2-1 |
3a740 | 2d 31 3b 32 2d 31 2d 39 3b 00 02 36 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 | -1;2-1-9;..6.....1;1-2-1;2-1-1;2 |
3a760 | 2d 31 2d 31 39 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 02 | -1-19;..7.....1;1-1-1;2-1-1;.... |
3a780 | 73 6d 69 6c 65 73 00 0f 00 00 00 43 43 43 28 4e 28 3d 4f 29 3d 4f 29 43 43 00 02 69 6e 63 68 69 | smiles.....CCC(N(=O)=O)CC..inchi |
3a7a0 | 00 33 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 31 31 4e 4f 32 2f 63 31 2d 33 2d 35 28 34 2d | .3...InChI=1S/C5H11NO2/c1-3-5(4- |
3a7c0 | 32 29 36 28 37 29 38 2f 68 35 48 2c 33 2d 34 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 | 2)6(7)8/h5H,3-4H2,1-2H3..updated |
3a7e0 | 5f 61 74 00 29 f5 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 28 f5 5e 46 50 01 00 00 | _at.).^FP....created_at.(.^FP... |
3a800 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 16 | .default_fingerprint_size....... |
3a820 | 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 23 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..g+r.+@..#.warnings... |
3a840 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 3b 01 00 00 04 4d 50 32 44 00 30 01 00 00 02 | ....fingerprints.;....MP2D.0.... |
3a860 | 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 16 00 00 00 31 3b 31 2d | 0.....8;1-1-1;2-1-1;..1.....1;1- |
3a880 | 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 39 3b 00 02 32 00 22 00 00 00 31 3b 31 2d 31 2d 31 | 1-1;1-1-8;2-1-19;..2."...1;1-1-1 |
3a8a0 | 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 33 00 1c 00 | ;1-1-19;2-1-1;2-1-6;2-1-8;..3... |
3a8c0 | 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 34 | ..19;1-2-1;1-1-6;2-2-1;2-1-9;..4 |
3a8e0 | 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b | ."...1;1-1-1;1-1-19;2-2-1;2-1-6; |
3a900 | 32 2d 31 2d 38 3b 00 02 35 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d | 2-1-8;..5.....1;1-2-1;1-1-8;2-1- |
3a920 | 31 39 3b 00 02 36 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 37 00 15 00 00 | 19;..6.....8;1-1-1;2-2-1;..7.... |
3a940 | 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 38 00 16 00 00 00 36 3b 31 | .1;1-1-1;2-1-1;2-1-8;..8.....6;1 |
3a960 | 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 39 00 10 00 00 00 39 3b 31 2d 31 2d | -1-9;1-1-19;2-2-1;..9.....9;1-1- |
3a980 | 36 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 10 00 00 00 4f 43 43 4e 28 43 43 28 | 6;2-1-19;....smiles.....OCCN(CC( |
3a9a0 | 4f 29 43 29 4e 3d 4f 00 02 69 6e 63 68 69 00 3b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 31 | O)C)N=O..inchi.;...InChI=1S/C5H1 |
3a9c0 | 32 4e 32 4f 33 2f 63 31 2d 35 28 39 29 34 2d 37 28 36 2d 31 30 29 32 2d 33 2d 38 2f 68 35 2c 38 | 2N2O3/c1-5(9)4-7(6-10)2-3-8/h5,8 |
3a9e0 | 2d 39 48 2c 32 2d 34 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 2f f5 5e 46 50 01 | -9H,2-4H2,1H3..updated_at./.^FP. |
3aa00 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 2d f5 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at.-.^FP....default_f |
3aa20 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 3a 02 00 00 07 5f 69 64 00 56 16 | ingerprint_size......:...._id.V. |
3aa40 | 1c 67 2b 72 ed 2b 40 00 01 24 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | .g+r.+@..$.warnings.......finger |
3aa60 | 70 72 69 6e 74 73 00 5e 01 00 00 04 4d 50 32 44 00 53 01 00 00 02 30 00 0f 00 00 00 38 3b 31 2d | prints.^....MP2D.S....0.....8;1- |
3aa80 | 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b | 1-1;2-1-1;..1.....1;1-1-1;1-1-8; |
3aaa0 | 32 2d 31 2d 31 39 3b 00 02 32 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d | 2-1-19;..2."...1;1-1-1;1-1-19;2- |
3aac0 | 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 33 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 | 1-1;2-1-6;2-1-8;..3.....19;1-2-1 |
3aae0 | 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 34 00 22 00 00 00 31 3b 31 2d 31 | ;1-1-6;2-2-1;2-1-9;..4."...1;1-1 |
3ab00 | 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 35 00 | -1;1-1-19;2-2-1;2-1-6;2-1-8;..5. |
3ab20 | 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 39 3b 00 | ....1;1-2-1;1-1-8;2-1-8;2-1-19;. |
3ab40 | 02 36 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 | .6.....1;1-1-1;1-1-8;2-1-1;2-1-8 |
3ab60 | 3b 00 02 37 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 38 00 0f 00 00 00 38 | ;..7.....8;1-1-1;2-1-1;..8.....8 |
3ab80 | 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 39 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 | ;1-1-1;2-2-1;..9.....6;1-1-9;1-1 |
3aba0 | 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 31 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 | -19;2-2-1;..10.....9;1-1-6;2-1-1 |
3abc0 | 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 11 00 00 00 4f 43 43 4e 28 43 43 28 43 4f 29 4f 29 4e 3d | 9;....smiles.....OCCN(CC(CO)O)N= |
3abe0 | 4f 00 02 69 6e 63 68 69 00 3b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 31 32 4e 32 4f 34 2f | O..inchi.;...InChI=1S/C5H12N2O4/ |
3ac00 | 63 38 2d 32 2d 31 2d 37 28 36 2d 31 31 29 33 2d 35 28 31 30 29 34 2d 39 2f 68 35 2c 38 2d 31 30 | c8-2-1-7(6-11)3-5(10)4-9/h5,8-10 |
3ac20 | 48 2c 31 2d 34 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 34 f5 5e 46 50 01 00 00 09 63 72 65 | H,1-4H2..updated_at.4.^FP....cre |
3ac40 | 61 74 65 64 5f 61 74 00 33 f5 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at.3.^FP....default_fingerp |
3ac60 | 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 e3 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b | rint_size..........._id.V..g+r.+ |
3ac80 | 40 00 01 25 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 | @..%.warnings.......fingerprints |
3aca0 | 00 0c 01 00 00 04 4d 50 32 44 00 01 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d | ......MP2D......0.....1;1-1-1;2- |
3acc0 | 31 2d 31 39 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d | 1-19;..1.....1;1-1-1;1-1-19;2-1- |
3ace0 | 32 3b 00 02 32 00 23 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 | 2;..2.#...19;1-1-1;1-1-2;2-1-1;2 |
3ad00 | 2d 31 2d 36 3b 32 2d 31 2d 31 30 3b 00 02 33 00 1d 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d | -1-6;2-1-10;..3.....2;1-1-6;1-1- |
3ad20 | 31 30 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 34 00 23 00 00 00 36 3b 31 2d 31 2d 31 3b | 10;1-1-19;2-2-1;..4.#...6;1-1-1; |
3ad40 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 39 3b 00 02 35 00 15 00 | 1-1-2;2-1-1;2-1-10;2-1-19;..5... |
3ad60 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 00 02 36 00 0f 00 00 00 31 3b | ..1;1-1-1;1-1-6;2-1-2;..6.....1; |
3ad80 | 31 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 37 00 17 00 00 00 31 30 3b 31 2d 31 2d 32 3b 32 2d 31 | 1-1-1;2-1-6;..7.....10;1-1-2;2-1 |
3ada0 | 2d 36 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 0c 00 00 00 43 43 4e 43 28 3d 4e | -6;2-1-19;....smiles.....CCNC(=N |
3adc0 | 43 43 29 53 00 02 69 6e 63 68 69 00 3b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 31 32 4e 32 | CC)S..inchi.;...InChI=1S/C5H12N2 |
3ade0 | 53 2f 63 31 2d 33 2d 36 2d 35 28 38 29 37 2d 34 2d 32 2f 68 33 2d 34 48 32 2c 31 2d 32 48 33 2c | S/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3, |
3ae00 | 28 48 32 2c 36 2c 37 2c 38 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 3a f5 5e 46 50 01 00 00 09 | (H2,6,7,8)..updated_at.:.^FP.... |
3ae20 | 63 72 65 61 74 65 64 5f 61 74 00 38 f5 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at.8.^FP....default_fing |
3ae40 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 6b 01 00 00 07 5f 69 64 00 56 16 1c 67 2b | erprint_size......k...._id.V..g+ |
3ae60 | 72 ed 2b 40 00 01 26 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.+@..&.warnings.......fingerpri |
3ae80 | 6e 74 73 00 ac 00 00 00 04 4d 50 32 44 00 a1 00 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 | nts......MP2D......0.....1;1-1-8 |
3aea0 | 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 32 | ;2-1-1;..1.....8;1-2-1;2-3-1;..2 |
3aec0 | 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 00 02 33 00 15 00 00 | .....1;1-3-1;1-1-8;2-1-1;..3.... |
3aee0 | 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 00 15 00 00 00 31 3b 31 | .1;1-1-1;2-2-1;2-1-8;..4.....1;1 |
3af00 | 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 15 00 00 00 31 3b 31 2d 31 2d 31 | -1-1;2-2-1;2-1-8;..5.....1;1-1-1 |
3af20 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 0b 00 00 00 43 4f 43 28 | ;2-2-1;2-1-8;....smiles.....COC( |
3af40 | 43 29 28 43 29 43 00 02 69 6e 63 68 69 00 24 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 31 32 | C)(C)C..inchi.$...InChI=1S/C5H12 |
3af60 | 4f 2f 63 31 2d 35 28 32 2c 33 29 36 2d 34 2f 68 31 2d 34 48 33 00 09 75 70 64 61 74 65 64 5f 61 | O/c1-5(2,3)6-4/h1-4H3..updated_a |
3af80 | 74 00 3f f5 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 3e f5 5e 46 50 01 00 00 10 64 | t.?.^FP....created_at.>.^FP....d |
3afa0 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 69 02 00 | efault_fingerprint_size......i.. |
3afc0 | 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 27 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V..g+r.+@..'.warnings..... |
3afe0 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 8a 01 00 00 04 4d 50 32 44 00 7f 01 00 00 02 30 00 | ..fingerprints......MP2D......0. |
3b000 | 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 31 00 1c 00 | ....15;1-1-1;2-1-2;2-1-15;..1... |
3b020 | 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 32 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 | ..1;1-1-2;1-2-15;2-1-1;2-1-2;..2 |
3b040 | 00 22 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 32 2d 38 3b 32 | ."...2;1-2-1;1-1-2;2-1-2;2-2-8;2 |
3b060 | 2d 33 2d 31 35 3b 00 02 33 00 22 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 32 | -3-15;..3."...2;1-2-2;1-1-15;2-2 |
3b080 | 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 34 00 10 00 00 00 31 35 3b 31 2d 31 2d 32 3b | -1;2-1-8;2-1-9;..4.....15;1-1-2; |
3b0a0 | 32 2d 32 2d 32 3b 00 02 35 00 28 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d | 2-2-2;..5.(...2;1-1-2;1-1-8;1-1- |
3b0c0 | 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 36 00 15 00 00 00 39 3b 31 | 9;2-1-1;2-1-2;2-1-15;..6.....9;1 |
3b0e0 | 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 37 00 21 00 00 00 38 3b 31 2d 31 2d 31 | -1-2;2-1-2;2-1-8;..7.!...8;1-1-1 |
3b100 | 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 38 00 1b 00 00 | ;1-1-2;2-2-2;2-1-8;2-1-9;..8.... |
3b120 | 00 31 3b 31 2d 31 2d 32 3b 31 2d 32 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 39 00 15 | .1;1-1-2;1-2-8;2-1-1;2-2-2;..9.. |
3b140 | 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 30 00 17 00 00 00 | ...8;1-1-1;2-1-2;2-1-8;..10..... |
3b160 | 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 00 00 02 73 6d 69 6c 65 73 | 15;1-1-1;2-1-2;2-1-15;....smiles |
3b180 | 00 19 00 00 00 43 6c 43 28 43 31 3d 43 28 43 6c 29 43 28 3d 4f 29 4f 43 31 4f 29 43 6c 00 02 69 | .....ClC(C1=C(Cl)C(=O)OC1O)Cl..i |
3b1a0 | 6e 63 68 69 00 36 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 33 43 6c 33 4f 33 2f 63 36 2d 32 | nchi.6...InChI=1S/C5H3Cl3O3/c6-2 |
3b1c0 | 2d 31 28 33 28 37 29 38 29 34 28 39 29 31 31 2d 35 28 32 29 31 30 2f 68 33 2d 34 2c 39 48 00 09 | -1(3(7)8)4(9)11-5(2)10/h3-4,9H.. |
3b1e0 | 75 70 64 61 74 65 64 5f 61 74 00 45 f5 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 43 | updated_at.E.^FP....created_at.C |
3b200 | f5 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | .^FP....default_fingerprint_size |
3b220 | 00 00 00 00 00 00 ad 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 28 04 77 61 72 6e | ..........._id.V..g+r.+@..(.warn |
3b240 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 e6 00 00 00 04 4d 50 32 | ings.......fingerprints......MP2 |
3b260 | 44 00 db 00 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 00 1b | D......0.....8;1-1-1;2-1-3;..1.. |
3b280 | 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 | ...1;1-1-3;1-1-8;2-1-3;2-1-9;..2 |
3b2a0 | 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 32 | .!...3;1-1-1;1-1-3;1-1-9;2-2-3;2 |
3b2c0 | 2d 31 2d 38 3b 00 02 33 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 | -1-8;..3.....3;1-2-3;2-1-1;2-1-3 |
3b2e0 | 3b 32 2d 31 2d 39 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 | ;2-1-9;..4.....3;1-2-3;2-1-3;2-1 |
3b300 | 2d 39 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 00 | -9;..5.....3;1-1-3;1-1-9;2-2-3;. |
3b320 | 02 36 00 15 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 00 00 02 73 | .6.....9;1-2-3;2-1-1;2-2-3;....s |
3b340 | 6d 69 6c 65 73 00 0a 00 00 00 4f 43 63 31 63 63 63 6f 31 00 02 69 6e 63 68 69 00 2d 00 00 00 49 | miles.....OCc1ccco1..inchi.-...I |
3b360 | 6e 43 68 49 3d 31 53 2f 43 35 48 36 4f 32 2f 63 36 2d 34 2d 35 2d 32 2d 31 2d 33 2d 37 2d 35 2f | nChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/ |
3b380 | 68 31 2d 33 2c 36 48 2c 34 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 4a f5 5e 46 50 01 00 00 | h1-3,6H,4H2..updated_at.J.^FP... |
3b3a0 | 09 63 72 65 61 74 65 64 5f 61 74 00 49 f5 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.I.^FP....default_fin |
3b3c0 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 4d 02 00 00 07 5f 69 64 00 56 16 1c 67 | gerprint_size......M...._id.V..g |
3b3e0 | 2b 72 ed 2b 40 00 01 29 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.+@..).warnings.......fingerpr |
3b400 | 69 6e 74 73 00 76 01 00 00 04 4d 50 32 44 00 6b 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d | ints.v....MP2D.k....0.....1;1-1- |
3b420 | 33 3b 32 2d 32 2d 31 31 3b 00 02 31 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 31 31 3b | 3;2-2-11;..1.....3;1-1-1;1-2-11; |
3b440 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 | 2-1-1;2-2-3;..2.....11;1-2-3;2-1 |
3b460 | 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 33 00 24 00 00 00 33 3b 31 2d 31 2d 33 3b | -1;2-1-3;2-1-11;..3.$...3;1-1-3; |
3b480 | 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 34 00 30 | 1-1-11;2-1-3;2-1-11;2-1-19;..4.0 |
3b4a0 | 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 | ...3;1-1-3;1-1-11;1-1-19;2-1-1;2 |
3b4c0 | 2d 31 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 35 00 2a 00 00 00 31 31 3b 31 2d 31 | -1-3;2-2-9;2-1-11;..5.*...11;1-1 |
3b4e0 | 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d | -1;1-2-3;2-1-1;2-1-3;2-1-11;2-1- |
3b500 | 31 39 3b 00 02 36 00 10 00 00 00 31 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 37 00 1d 00 | 19;..6.....1;1-1-11;2-2-3;..7... |
3b520 | 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 | ..19;1-1-3;1-2-9;2-1-3;2-1-11;.. |
3b540 | 38 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 39 00 16 | 8.....9;1-1-19;2-1-3;2-1-9;..9.. |
3b560 | 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c | ...9;1-1-19;2-1-3;2-1-9;....smil |
3b580 | 65 73 00 13 00 00 00 43 63 31 6e 63 63 28 6e 31 43 29 4e 28 3d 4f 29 3d 4f 00 02 69 6e 63 68 69 | es.....Cc1ncc(n1C)N(=O)=O..inchi |
3b5a0 | 00 34 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 37 4e 33 4f 32 2f 63 31 2d 34 2d 36 2d 33 2d | .4...InChI=1S/C5H7N3O2/c1-4-6-3- |
3b5c0 | 35 28 37 28 34 29 32 29 38 28 39 29 31 30 2f 68 33 48 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 | 5(7(4)2)8(9)10/h3H,1-2H3..update |
3b5e0 | 64 5f 61 74 00 50 f5 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 4e f5 5e 46 50 01 00 | d_at.P.^FP....created_at.N.^FP.. |
3b600 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 | ..default_fingerprint_size...... |
3b620 | 60 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 2a 04 77 61 72 6e 69 6e 67 73 00 05 | `...._id.V..g+r.+@..*.warnings.. |
3b640 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 7d 01 00 00 04 4d 50 32 44 00 72 01 00 00 | .....fingerprints.}....MP2D.r... |
3b660 | 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 00 | .0.....1;1-1-3;2-1-3;2-1-11;..1. |
3b680 | 23 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 | #...3;1-1-1;1-1-3;1-1-11;2-1-3;2 |
3b6a0 | 2d 31 2d 31 38 3b 00 02 32 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 38 3b 32 2d 31 | -1-18;..2.#...3;1-1-3;1-1-18;2-1 |
3b6c0 | 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 33 00 1e 00 00 00 31 38 3b 31 2d 32 2d 33 | -1;2-1-3;2-1-11;..3.....18;1-2-3 |
3b6e0 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 34 00 24 00 00 00 33 3b 31 | ;2-1-3;2-1-11;2-1-19;..4.$...3;1 |
3b700 | 2d 31 2d 31 31 3b 31 2d 31 2d 31 38 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b | -1-11;1-1-18;1-1-19;2-2-3;2-1-6; |
3b720 | 00 02 35 00 24 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 | ..5.$...11;1-2-3;2-1-1;2-1-3;2-1 |
3b740 | 2d 31 38 3b 32 2d 31 2d 31 39 3b 00 02 36 00 24 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d | -18;2-1-19;..6.$...19;1-1-3;1-1- |
3b760 | 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 37 00 1c 00 00 00 36 3b | 6;2-1-2;2-1-11;2-1-18;..7.....6; |
3b780 | 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 38 00 16 00 00 | 1-1-2;1-1-19;2-1-3;2-1-9;..8.... |
3b7a0 | 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 39 00 0f 00 00 00 39 3b | .2;1-1-6;1-1-9;2-1-19;..9.....9; |
3b7c0 | 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 10 00 00 00 43 63 31 63 73 | 1-1-2;2-1-6;....smiles.....Cc1cs |
3b7e0 | 63 28 6e 31 29 4e 4e 3d 43 4f 00 02 69 6e 63 68 69 00 43 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | c(n1)NN=CO..inchi.C...InChI=1S/C |
3b800 | 35 48 37 4e 33 4f 53 2f 63 31 2d 34 2d 32 2d 31 30 2d 35 28 37 2d 34 29 38 2d 36 2d 33 2d 39 2f | 5H7N3OS/c1-4-2-10-5(7-4)8-6-3-9/ |
3b820 | 68 32 2d 33 48 2c 31 48 33 2c 28 48 2c 36 2c 39 29 28 48 2c 37 2c 38 29 00 09 75 70 64 61 74 65 | h2-3H,1H3,(H,6,9)(H,7,8)..update |
3b840 | 64 5f 61 74 00 56 f5 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 54 f5 5e 46 50 01 00 | d_at.V.^FP....created_at.T.^FP.. |
3b860 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 | ..default_fingerprint_size...... |
3b880 | 51 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 2b 04 77 61 72 6e 69 6e 67 73 00 05 | Q...._id.V..g+r.+@..+.warnings.. |
3b8a0 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 90 00 00 00 04 4d 50 32 44 00 85 00 00 00 | .....fingerprints......MP2D..... |
3b8c0 | 02 30 00 0f 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 02 31 00 15 00 00 00 32 3b 31 | .0.....2;1-1-2;2-1-2;..1.....2;1 |
3b8e0 | 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 15 00 00 00 32 3b 31 2d 31 2d 31 | -2-2;2-1-1;2-1-2;..2.....2;1-1-1 |
3b900 | 3b 31 2d 32 2d 32 3b 32 2d 31 2d 32 3b 00 02 33 00 15 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 | ;1-2-2;2-1-2;..3.....2;1-1-2;2-1 |
3b920 | 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 00 0f 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 | -1;2-1-2;..4.....1;1-1-2;2-2-2;. |
3b940 | 00 00 02 73 6d 69 6c 65 73 00 0a 00 00 00 43 3d 43 43 28 3d 43 29 43 00 02 69 6e 63 68 69 00 27 | ...smiles.....C=CC(=C)C..inchi.' |
3b960 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 38 2f 63 31 2d 34 2d 35 28 32 29 33 2f 68 34 48 2c | ...InChI=1S/C5H8/c1-4-5(2)3/h4H, |
3b980 | 31 2d 32 48 32 2c 33 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 5b f5 5e 46 50 01 00 00 09 63 | 1-2H2,3H3..updated_at.[.^FP....c |
3b9a0 | 72 65 61 74 65 64 5f 61 74 00 5a f5 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.Z.^FP....default_finge |
3b9c0 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 ee 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 | rprint_size..........._id.V..g+r |
3b9e0 | ed 2b 40 00 01 2c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .+@..,.warnings.......fingerprin |
3ba00 | 74 73 00 21 01 00 00 04 4d 50 32 44 00 16 01 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b | ts.!....MP2D......0.....9;1-1-6; |
3ba20 | 32 2d 31 2d 31 39 3b 00 02 31 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d | 2-1-19;..1.....6;1-1-9;1-1-19;2- |
3ba40 | 32 2d 31 3b 00 02 32 00 22 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 | 2-1;..2."...19;1-2-1;1-1-6;2-1-1 |
3ba60 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 33 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | ;2-1-2;2-1-9;..3."...1;1-1-1;1-1 |
3ba80 | 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 34 00 1c 00 00 00 31 3b | -19;2-1-1;2-1-2;2-1-6;..4.....1; |
3baa0 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 35 00 15 00 00 | 1-1-1;1-1-2;2-1-2;2-1-19;..5.... |
3bac0 | 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 02 36 00 1c 00 00 00 32 3b 31 | .2;1-1-1;1-1-2;2-2-1;..6.....2;1 |
3bae0 | 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 37 00 22 00 00 00 | -1-1;1-1-2;2-1-1;2-1-19;..7."... |
3bb00 | 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 | 1;1-1-2;1-1-19;2-1-1;2-1-2;2-1-6 |
3bb20 | 3b 00 00 00 02 73 6d 69 6c 65 73 00 0d 00 00 00 4f 3d 4e 4e 31 43 43 43 3d 43 43 31 00 02 69 6e | ;....smiles.....O=NN1CCC=CC1..in |
3bb40 | 63 68 69 00 30 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 38 4e 32 4f 2f 63 38 2d 36 2d 37 2d | chi.0...InChI=1S/C5H8N2O/c8-6-7- |
3bb60 | 34 2d 32 2d 31 2d 33 2d 35 2d 37 2f 68 31 2d 32 48 2c 33 2d 35 48 32 00 09 75 70 64 61 74 65 64 | 4-2-1-3-5-7/h1-2H,3-5H2..updated |
3bb80 | 5f 61 74 00 61 f5 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 60 f5 5e 46 50 01 00 00 | _at.a.^FP....created_at.`.^FP... |
3bba0 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 a9 | .default_fingerprint_size....... |
3bbc0 | 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 2d 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..g+r.+@..-.warnings... |
3bbe0 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 e0 00 00 00 04 4d 50 32 44 00 d5 00 00 00 02 | ....fingerprints......MP2D...... |
3bc00 | 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 31 3b 31 2d | 0.....1;1-1-1;2-1-8;..1.....1;1- |
3bc20 | 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 32 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b | 1-1;1-1-8;2-1-2;..2.!...8;1-1-1; |
3bc40 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 33 00 21 00 00 00 | 1-1-2;2-1-1;2-1-2;2-1-9;..3.!... |
3bc60 | 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b | 2;1-1-2;1-1-8;1-1-9;2-1-1;2-1-2; |
3bc80 | 00 02 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 35 00 | ..4.....9;1-1-2;2-1-2;2-1-8;..5. |
3bca0 | 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 36 00 0f 00 00 00 | ....2;1-2-2;2-1-8;2-1-9;..6..... |
3bcc0 | 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 0c 00 00 00 43 43 4f | 2;1-1-2;2-1-2;....smiles.....CCO |
3bce0 | 43 28 3d 4f 29 43 3d 43 00 02 69 6e 63 68 69 00 2d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 | C(=O)C=C..inchi.-...InChI=1S/C5H |
3bd00 | 38 4f 32 2f 63 31 2d 33 2d 35 28 36 29 37 2d 34 2d 32 2f 68 33 48 2c 31 2c 34 48 32 2c 32 48 33 | 8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3 |
3bd20 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 66 f5 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.f.^FP....created_at |
3bd40 | 00 65 f5 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | .e.^FP....default_fingerprint_si |
3bd60 | 7a 65 00 00 00 00 00 00 b5 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 2e 04 77 61 | ze..........._id.V..g+r.+@....wa |
3bd80 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ec 00 00 00 04 4d | rnings.......fingerprints......M |
3bda0 | 50 32 44 00 e1 00 00 00 02 30 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 | P2D......0.....9;1-1-2;2-1-1;2-1 |
3bdc0 | 2d 38 3b 00 02 31 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 | -8;..1.....2;1-1-1;1-1-8;1-1-9;2 |
3bde0 | 2d 34 2d 31 3b 00 02 32 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 | -4-1;..2.....8;1-1-1;1-1-2;2-2-1 |
3be00 | 3b 32 2d 31 2d 39 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 | ;2-1-9;..3.....1;1-1-1;1-1-8;2-2 |
3be20 | 2d 31 3b 32 2d 32 2d 32 3b 00 02 34 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 32 3b 32 | -1;2-2-2;..4.....1;1-3-1;1-1-2;2 |
3be40 | 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 | -2-8;2-1-9;..5.....1;1-1-1;2-2-1 |
3be60 | 3b 32 2d 31 2d 32 3b 00 02 36 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 | ;2-1-2;..6.....1;1-1-1;2-2-1;2-1 |
3be80 | 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 0d 00 00 00 4f 3d 43 31 4f 43 43 31 28 43 29 43 00 02 | -2;....smiles.....O=C1OCC1(C)C.. |
3bea0 | 69 6e 63 68 69 00 2c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 38 4f 32 2f 63 31 2d 35 28 32 | inchi.,...InChI=1S/C5H8O2/c1-5(2 |
3bec0 | 29 33 2d 37 2d 34 28 35 29 36 2f 68 33 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 | )3-7-4(5)6/h3H2,1-2H3..updated_a |
3bee0 | 74 00 6c f5 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 6a f5 5e 46 50 01 00 00 10 64 | t.l.^FP....created_at.j.^FP....d |
3bf00 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 a6 01 00 | efault_fingerprint_size......... |
3bf20 | 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 2f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V..g+r.+@../.warnings..... |
3bf40 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 e0 00 00 00 04 4d 50 32 44 00 d5 00 00 00 02 30 00 | ..fingerprints......MP2D......0. |
3bf60 | 0f 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 00 02 31 00 15 00 00 00 36 3b 31 2d 31 2d | ....9;1-1-6;2-1-2;..1.....6;1-1- |
3bf80 | 32 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 00 02 32 00 1b 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d | 2;1-1-9;2-2-1;..2.....2;1-2-1;1- |
3bfa0 | 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b | 1-6;2-2-1;2-1-9;..3.....1;1-1-1; |
3bfc0 | 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 34 00 15 00 00 00 31 3b 31 2d 32 2d | 1-1-2;2-2-1;2-1-6;..4.....1;1-2- |
3bfe0 | 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 35 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d | 1;2-1-1;2-1-2;..5.....1;1-2-1;2- |
3c000 | 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 36 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | 1-1;2-1-2;..6.....1;1-1-1;1-1-2; |
3c020 | 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 0b 00 00 00 4f 4e 3d 43 31 | 2-2-1;2-1-6;....smiles.....ON=C1 |
3c040 | 43 43 43 43 31 00 02 69 6e 63 68 69 00 2b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 39 4e 4f | CCCC1..inchi.+...InChI=1S/C5H9NO |
3c060 | 2f 63 37 2d 36 2d 35 2d 33 2d 31 2d 32 2d 34 2d 35 2f 68 37 48 2c 31 2d 34 48 32 00 09 75 70 64 | /c7-6-5-3-1-2-4-5/h7H,1-4H2..upd |
3c080 | 61 74 65 64 5f 61 74 00 71 f5 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 70 f5 5e 46 | ated_at.q.^FP....created_at.p.^F |
3c0a0 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
3c0c0 | 00 00 00 a5 0f 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 30 04 77 61 72 6e 69 6e 67 | ........_id.V..g+r.+@..0.warning |
3c0e0 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 d1 0c 00 00 04 4d 50 32 44 00 c6 | s.......fingerprints......MP2D.. |
3c100 | 0c 00 00 02 30 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 | ....0.....9;1-1-2;2-1-1;2-1-6;.. |
3c120 | 31 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b | 1.!...2;1-1-1;1-1-6;1-1-9;2-2-1; |
3c140 | 32 2d 31 2d 36 3b 00 02 32 00 21 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d | 2-1-6;..2.!...6;1-1-1;1-1-2;2-2- |
3c160 | 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 33 00 2e 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | 1;2-1-2;2-1-9;..3.....1;1-1-1;1- |
3c180 | 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d | 1-2;1-1-6;2-2-1;2-1-2;2-1-9;2-1- |
3c1a0 | 32 38 3b 00 02 34 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 | 28;..4.....1;1-3-1;2-1-2;2-1-6;. |
3c1c0 | 02 35 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 36 00 0f 00 00 00 31 3b 31 | .5.....1;1-1-1;2-2-1;..6.....1;1 |
3c1e0 | 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 37 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 | -1-1;2-2-1;..7."...2;1-1-1;1-1-9 |
3c200 | 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 36 3b 00 02 38 00 16 00 00 00 39 3b 31 2d | ;1-1-28;2-3-1;2-1-6;..8.....9;1- |
3c220 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 39 00 22 00 00 00 32 38 3b 31 2d 32 2d | 1-2;2-1-1;2-1-28;..9."...28;1-2- |
3c240 | 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 30 00 1c | 1;1-1-2;2-3-1;2-1-2;2-1-9;..10.. |
3c260 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 | ...1;1-1-1;1-1-28;2-2-1;2-1-2;.. |
3c280 | 31 31 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 32 | 11.....1;1-2-1;2-1-1;2-1-28;..12 |
3c2a0 | 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 32 38 3b | .....1;1-2-1;2-1-1;2-1-2;2-1-28; |
3c2c0 | 00 02 31 33 00 2f 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 32 38 3b 32 2d | ..13./...1;1-1-1;1-1-2;1-1-28;2- |
3c2e0 | 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 34 00 23 00 00 00 | 2-1;2-1-2;2-1-9;2-1-28;..14.#... |
3c300 | 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 | 2;1-1-1;1-1-9;1-1-28;2-3-1;2-1-2 |
3c320 | 38 3b 00 02 31 35 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b | 8;..15.....9;1-1-2;2-1-1;2-1-28; |
3c340 | 00 02 31 36 00 22 00 00 00 32 38 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d | ..16."...28;1-2-1;1-1-2;2-1-1;2- |
3c360 | 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 37 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d | 1-2;2-1-9;..17.....1;1-1-28;2-1- |
3c380 | 31 3b 32 2d 31 2d 32 3b 00 02 31 38 00 29 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 32 38 3b | 1;2-1-2;..18.)...1;1-1-2;1-1-28; |
3c3a0 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 39 00 23 00 | 2-1-1;2-1-2;2-1-9;2-1-28;..19.#. |
3c3c0 | 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 | ..2;1-1-1;1-1-9;1-1-28;2-2-1;2-1 |
3c3e0 | 2d 32 38 3b 00 02 32 30 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 | -28;..20.....9;1-1-2;2-1-1;2-1-2 |
3c400 | 38 3b 00 02 32 31 00 22 00 00 00 32 38 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b | 8;..21."...28;1-2-1;1-1-2;2-2-1; |
3c420 | 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 32 32 00 2e 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-1-2;2-1-9;..22.....1;1-1-1;1-1 |
3c440 | 2d 32 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d | -2;1-1-28;2-3-1;2-1-2;2-1-8;2-1- |
3c460 | 39 3b 00 02 32 33 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 | 9;..23."...2;1-1-1;1-1-8;1-1-9;2 |
3c480 | 2d 32 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 32 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 | -2-1;2-1-28;..24.....9;1-1-2;2-1 |
3c4a0 | 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 35 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | -1;2-1-8;..25.....8;1-1-1;1-1-2; |
3c4c0 | 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b 00 02 32 36 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 | 2-3-1;2-1-9;..26.....1;1-2-1;1-1 |
3c4e0 | 2d 38 3b 32 2d 32 2d 32 3b 32 2d 31 2d 36 3b 00 02 32 37 00 33 00 00 00 31 3b 31 2d 31 2d 31 3b | -8;2-2-2;2-1-6;..27.3...1;1-1-1; |
3c500 | 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d | 1-1-2;1-1-6;2-1-1;2-1-2;2-1-6;2- |
3c520 | 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 38 00 27 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | 1-8;2-1-9;..28.'...6;1-1-1;1-1-2 |
3c540 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 39 00 21 00 | ;2-1-1;2-1-2;2-1-3;2-1-9;..29.!. |
3c560 | 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d | ..2;1-1-3;1-1-6;1-1-9;2-1-1;2-2- |
3c580 | 33 3b 00 02 33 30 00 2f 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 3;..30./...3;1-1-2;1-2-3;2-2-3;2 |
3c5a0 | 2d 31 2d 36 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 33 31 00 22 00 | -1-6;2-1-9;2-1-11;2-1-19;..31.". |
3c5c0 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 32 2d 31 | ..3;1-2-3;1-1-11;2-1-2;2-3-3;2-1 |
3c5e0 | 2d 39 3b 00 02 33 32 00 10 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 33 33 00 | -9;..32.....11;1-2-3;2-4-3;..33. |
3c600 | 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 32 | "...3;1-2-3;1-1-11;2-1-2;2-3-3;2 |
3c620 | 2d 31 2d 39 3b 00 02 33 34 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -1-9;..34.(...3;1-1-2;1-2-3;2-2- |
3c640 | 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 33 35 00 15 00 00 00 33 3b | 3;2-1-6;2-1-9;2-1-11;..35.....3; |
3c660 | 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 33 36 00 15 00 00 00 33 3b 31 2d 32 | 1-2-3;2-1-2;2-2-3;..36.....3;1-2 |
3c680 | 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 37 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b | -3;2-1-1;2-2-3;..37.....3;1-1-1; |
3c6a0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 38 00 22 00 00 00 33 3b 31 2d 32 | 1-2-3;2-2-3;2-1-9;..38."...3;1-2 |
3c6c0 | 2d 33 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 33 39 | -3;1-1-9;2-1-1;2-3-3;2-1-11;..39 |
3c6e0 | 00 0f 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 34 30 00 22 00 00 00 33 3b 31 2d | .....9;1-2-3;2-4-3;..40."...3;1- |
3c700 | 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 34 | 2-3;1-1-9;2-1-1;2-3-3;2-1-11;..4 |
3c720 | 31 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b | 1.....3;1-1-1;1-2-3;2-2-3;2-2-9; |
3c740 | 00 02 34 32 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 | ..42."...3;1-2-3;1-1-9;2-1-1;2-2 |
3c760 | 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 34 33 00 0f 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | -3;2-1-19;..43.....9;1-1-3;2-2-3 |
3c780 | 3b 00 02 34 34 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 | ;..44."...3;1-2-3;1-1-19;2-1-2;2 |
3c7a0 | 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 34 35 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 | -2-3;2-1-9;..45.....19;1-1-3;2-2 |
3c7c0 | 2d 33 3b 00 02 34 36 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 34 37 00 0f | -3;..46.....1;1-1-3;2-2-3;..47.. |
3c7e0 | 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 34 38 00 21 00 00 00 32 3b 31 2d 31 2d | ...1;1-1-3;2-2-3;..48.!...2;1-1- |
3c800 | 33 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 39 00 27 | 3;1-1-6;1-1-9;2-1-1;2-2-3;..49.' |
3c820 | 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 | ...6;1-1-1;1-1-2;2-1-1;2-1-2;2-1 |
3c840 | 2d 33 3b 32 2d 31 2d 39 3b 00 02 35 30 00 33 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | -3;2-1-9;..50.3...1;1-1-1;1-1-2; |
3c860 | 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 32 2d | 1-1-6;2-1-1;2-1-2;2-1-6;2-1-8;2- |
3c880 | 31 2d 39 3b 00 02 35 31 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 32 | 1-9;..51.....1;1-2-1;1-1-8;2-2-2 |
3c8a0 | 3b 32 2d 31 2d 36 3b 00 02 35 32 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d | ;2-1-6;..52.....1;1-1-1;2-1-1;2- |
3c8c0 | 31 2d 38 3b 00 02 35 33 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 | 1-8;..53.....8;1-1-1;1-1-2;2-3-1 |
3c8e0 | 3b 32 2d 31 2d 39 3b 00 02 35 34 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d | ;2-1-9;..54."...2;1-1-1;1-1-8;1- |
3c900 | 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 35 35 00 15 00 00 00 39 3b 31 2d 31 2d | 1-9;2-2-1;2-1-28;..55.....9;1-1- |
3c920 | 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 36 00 2e 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | 2;2-1-1;2-1-8;..56.....1;1-1-1;1 |
3c940 | 2d 31 2d 32 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d | -1-2;1-1-28;2-3-1;2-1-2;2-1-8;2- |
3c960 | 31 2d 39 3b 00 02 35 37 00 16 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 32 | 1-9;..57.....1;1-3-1;2-1-2;2-1-2 |
3c980 | 38 3b 00 02 35 38 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 35 39 00 0f 00 | 8;..58.....1;1-1-1;2-2-1;..59... |
3c9a0 | 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 36 30 00 22 00 00 00 32 38 3b 31 2d 32 2d | ..1;1-1-1;2-2-1;..60."...28;1-2- |
3c9c0 | 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 36 31 00 16 | 1;1-1-2;2-2-1;2-1-2;2-1-9;..61.. |
3c9e0 | 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 36 32 00 23 00 00 | ...1;1-1-28;2-1-1;2-1-2;..62.#.. |
3ca00 | 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d | .2;1-1-1;1-1-9;1-1-28;2-2-1;2-1- |
3ca20 | 32 38 3b 00 02 36 33 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 | 28;..63.....9;1-1-2;2-1-1;2-1-28 |
3ca40 | 3b 00 02 36 34 00 29 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 | ;..64.)...1;1-1-2;1-1-28;2-1-1;2 |
3ca60 | 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 36 35 00 22 00 00 00 32 38 3b 31 2d | -1-2;2-1-9;2-1-28;..65."...28;1- |
3ca80 | 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 36 36 | 2-1;1-1-2;2-1-1;2-1-2;2-1-9;..66 |
3caa0 | 00 23 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b | .#...2;1-1-1;1-1-9;1-1-28;2-3-1; |
3cac0 | 32 2d 31 2d 32 38 3b 00 02 36 37 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d | 2-1-28;..67.....9;1-1-2;2-1-1;2- |
3cae0 | 31 2d 32 38 3b 00 02 36 38 00 2f 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d | 1-28;..68./...1;1-1-1;1-1-2;1-1- |
3cb00 | 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 36 39 | 28;2-2-1;2-1-2;2-1-9;2-1-28;..69 |
3cb20 | 00 22 00 00 00 32 38 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b | ."...28;1-2-1;1-1-2;2-3-1;2-1-2; |
3cb40 | 32 2d 31 2d 39 3b 00 02 37 30 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 | 2-1-9;..70."...2;1-1-1;1-1-9;1-1 |
3cb60 | 2d 32 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 36 3b 00 02 37 31 00 16 00 00 00 39 3b 31 2d 31 2d 32 | -28;2-3-1;2-1-6;..71.....9;1-1-2 |
3cb80 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 37 32 00 2e 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | ;2-1-1;2-1-28;..72.....1;1-1-1;1 |
3cba0 | 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 | -1-2;1-1-6;2-2-1;2-1-2;2-1-9;2-1 |
3cbc0 | 2d 32 38 3b 00 02 37 33 00 21 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 | -28;..73.!...6;1-1-1;1-1-2;2-2-1 |
3cbe0 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 37 34 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d | ;2-1-2;2-1-9;..74.!...2;1-1-1;1- |
3cc00 | 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 37 35 00 15 00 00 00 39 | 1-6;1-1-9;2-2-1;2-1-6;..75.....9 |
3cc20 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 37 36 00 15 00 00 00 31 3b 31 2d | ;1-1-2;2-1-1;2-1-6;..76.....1;1- |
3cc40 | 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 37 37 00 0f 00 00 00 31 3b 31 2d 31 2d 31 | 3-1;2-1-2;2-1-6;..77.....1;1-1-1 |
3cc60 | 3b 32 2d 32 2d 31 3b 00 02 37 38 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 | ;2-2-1;..78.....1;1-1-1;2-2-1;.. |
3cc80 | 37 39 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d | 79.....1;1-1-1;1-1-28;2-2-1;2-1- |
3cca0 | 32 3b 00 02 38 30 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b | 2;..80.....1;1-2-1;2-1-1;2-1-28; |
3ccc0 | 00 02 38 31 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 | ..81.....1;1-2-1;2-1-1;2-1-2;2-1 |
3cce0 | 2d 32 38 3b 00 02 38 32 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d | -28;..82.....1;1-1-28;2-1-1;2-1- |
3cd00 | 32 3b 00 02 38 33 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 00 | 2;..83.....9;1-1-2;2-1-3;2-1-6;. |
3cd20 | 02 38 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 00 02 38 35 | .84.....9;1-1-2;2-1-3;2-1-6;..85 |
3cd40 | 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 38 36 00 16 00 | .....1;1-1-1;2-1-1;2-1-8;..86... |
3cd60 | 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 02 38 37 00 0f 00 00 00 | ..1;1-3-1;2-1-2;2-1-28;..87..... |
3cd80 | 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 38 38 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 | 1;1-1-1;2-2-1;..88.....1;1-1-1;2 |
3cda0 | 2d 32 2d 31 3b 00 02 38 39 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 | -2-1;..89.....1;1-1-28;2-1-1;2-1 |
3cdc0 | 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 b0 00 00 00 4f 43 31 3d 4e 43 28 43 28 43 29 43 29 43 | -2;....smiles.....OC1=NC(C(C)C)C |
3cde0 | 28 3d 4f 29 4e 32 43 43 43 43 32 43 28 3d 4f 29 4e 28 43 29 43 43 28 3d 4f 29 4e 28 43 28 43 28 | (=O)N2CCCC2C(=O)N(C)CC(=O)N(C(C( |
3ce00 | 3d 4f 29 4f 43 28 43 31 4e 3d 43 28 63 31 63 32 6e 63 33 63 28 63 63 63 28 63 33 6f 63 32 63 28 | =O)OC(C1N=C(c1c2nc3c(ccc(c3oc2c( |
3ce20 | 63 28 3d 4f 29 63 31 4e 29 43 29 43 29 43 28 3d 4e 43 31 43 28 43 29 4f 43 28 3d 4f 29 43 28 43 | c(=O)c1N)C)C)C(=NC1C(C)OC(=O)C(C |
3ce40 | 28 43 29 43 29 4e 28 43 29 43 28 3d 4f 29 43 4e 28 43 28 3d 4f 29 43 32 4e 28 43 28 3d 4f 29 43 | (C)C)N(C)C(=O)CN(C(=O)C2N(C(=O)C |
3ce60 | 28 4e 3d 43 31 4f 29 43 28 43 29 43 29 43 43 43 32 29 43 29 4f 29 4f 29 43 29 43 28 43 29 43 29 | (N=C1O)C(C)C)CCC2)C)O)O)C)C(C)C) |
3ce80 | 43 00 02 69 6e 63 68 69 00 94 01 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 32 48 38 36 4e 31 32 4f | C..inchi.....InChI=1S/C62H86N12O |
3cea0 | 31 36 2f 63 31 2d 32 37 28 32 29 34 32 2d 35 39 28 38 34 29 37 33 2d 32 33 2d 31 37 2d 31 39 2d | 16/c1-27(2)42-59(84)73-23-17-19- |
3cec0 | 33 36 28 37 33 29 35 37 28 38 32 29 36 39 28 31 33 29 32 35 2d 33 38 28 37 35 29 37 31 28 31 35 | 36(73)57(82)69(13)25-38(75)71(15 |
3cee0 | 29 34 38 28 32 39 28 35 29 36 29 36 31 28 38 36 29 38 38 2d 33 33 28 31 31 29 34 34 28 35 35 28 | )48(29(5)6)61(86)88-33(11)44(55( |
3cf00 | 38 30 29 36 35 2d 34 32 29 36 37 2d 35 33 28 37 38 29 33 35 2d 32 32 2d 32 31 2d 33 31 28 39 29 | 80)65-42)67-53(78)35-22-21-31(9) |
3cf20 | 35 31 2d 34 36 28 33 35 29 36 34 2d 34 37 2d 34 30 28 34 31 28 36 33 29 35 30 28 37 37 29 33 32 | 51-46(35)64-47-40(41(63)50(77)32 |
3cf40 | 28 31 30 29 35 32 28 34 37 29 39 30 2d 35 31 29 35 34 28 37 39 29 36 38 2d 34 35 2d 33 34 28 31 | (10)52(47)90-51)54(79)68-45-34(1 |
3cf60 | 32 29 38 39 2d 36 32 28 38 37 29 34 39 28 33 30 28 37 29 38 29 37 32 28 31 36 29 33 39 28 37 36 | 2)89-62(87)49(30(7)8)72(16)39(76 |
3cf80 | 29 32 36 2d 37 30 28 31 34 29 35 38 28 38 33 29 33 37 2d 32 30 2d 31 38 2d 32 34 2d 37 34 28 33 | )26-70(14)58(83)37-20-18-24-74(3 |
3cfa0 | 37 29 36 30 28 38 35 29 34 33 28 32 38 28 33 29 34 29 36 36 2d 35 36 28 34 35 29 38 31 2f 68 32 | 7)60(85)43(28(3)4)66-56(45)81/h2 |
3cfc0 | 31 2d 32 32 2c 32 37 2d 33 30 2c 33 33 2d 33 34 2c 33 36 2d 33 37 2c 34 32 2d 34 35 2c 34 38 2d | 1-22,27-30,33-34,36-37,42-45,48- |
3cfe0 | 34 39 48 2c 31 37 2d 32 30 2c 32 33 2d 32 36 2c 36 33 48 32 2c 31 2d 31 36 48 33 2c 28 48 2c 36 | 49H,17-20,23-26,63H2,1-16H3,(H,6 |
3d000 | 35 2c 38 30 29 28 48 2c 36 36 2c 38 31 29 28 48 2c 36 37 2c 37 38 29 28 48 2c 36 38 2c 37 39 29 | 5,80)(H,66,81)(H,67,78)(H,68,79) |
3d020 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 83 f5 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at...^FP....created_at |
3d040 | 00 81 f5 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | ...^FP....default_fingerprint_si |
3d060 | 7a 65 00 00 00 00 00 00 f3 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 31 04 77 61 | ze..........._id.V..g+r.+@..1.wa |
3d080 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 1f 01 00 00 04 4d | rnings.......fingerprints......M |
3d0a0 | 50 32 44 00 14 01 00 00 02 30 00 0f 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 00 02 31 | P2D......0.....2;1-1-2;2-1-1;..1 |
3d0c0 | 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 32 00 22 00 | .....2;1-1-1;1-1-2;2-1-19;..2.". |
3d0e0 | 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 | ..1;1-1-2;1-1-19;2-1-1;2-1-2;2-1 |
3d100 | 2d 36 3b 00 02 33 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 32 2d 32 3b | -6;..3.....19;1-2-1;1-1-6;2-2-2; |
3d120 | 32 2d 31 2d 39 3b 00 02 34 00 22 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 | 2-1-9;..4."...1;1-1-2;1-1-19;2-1 |
3d140 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 35 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 | -1;2-1-2;2-1-6;..5.....2;1-1-1;1 |
3d160 | 2d 31 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 36 00 0f 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d | -1-2;2-1-19;..6.....2;1-1-2;2-1- |
3d180 | 31 3b 00 02 37 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 | 1;..7.....6;1-1-9;1-1-19;2-2-1;. |
3d1a0 | 02 38 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 | .8.....9;1-1-6;2-1-19;....smiles |
3d1c0 | 00 0f 00 00 00 43 3d 43 43 4e 28 43 43 3d 43 29 4e 3d 4f 00 02 69 6e 63 68 69 00 35 00 00 00 49 | .....C=CCN(CC=C)N=O..inchi.5...I |
3d1e0 | 6e 43 68 49 3d 31 53 2f 43 36 48 31 30 4e 32 4f 2f 63 31 2d 33 2d 35 2d 38 28 37 2d 39 29 36 2d | nChI=1S/C6H10N2O/c1-3-5-8(7-9)6- |
3d200 | 34 2d 32 2f 68 33 2d 34 48 2c 31 2d 32 2c 35 2d 36 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 | 4-2/h3-4H,1-2,5-6H2..updated_at. |
3d220 | 89 f5 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 87 f5 5e 46 50 01 00 00 10 64 65 66 | ..^FP....created_at...^FP....def |
3d240 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 16 02 00 00 07 | ault_fingerprint_size........... |
3d260 | 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 32 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..g+r.+@..2.warnings....... |
3d280 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 3b 01 00 00 04 4d 50 32 44 00 30 01 00 00 02 30 00 0f 00 | fingerprints.;....MP2D.0....0... |
3d2a0 | 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 00 02 31 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b | ..2;1-1-2;2-1-1;..1.....2;1-1-1; |
3d2c0 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 32 00 22 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 | 1-1-2;2-1-19;..2."...1;1-1-2;1-1 |
3d2e0 | 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 33 00 1c 00 00 00 31 39 | -19;2-1-1;2-1-2;2-1-6;..3.....19 |
3d300 | 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 32 2d 32 3b 32 2d 31 2d 39 3b 00 02 34 00 22 00 00 | ;1-2-1;1-1-6;2-2-2;2-1-9;..4.".. |
3d320 | 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d | .1;1-1-2;1-1-19;2-2-1;2-1-6;2-1- |
3d340 | 39 3b 00 02 35 00 16 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 | 9;..5.....2;1-2-1;1-1-9;2-1-19;. |
3d360 | 02 36 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 02 37 00 15 00 00 00 31 3b 31 | .6.....9;1-1-2;2-2-1;..7.....1;1 |
3d380 | 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 38 00 16 00 00 00 36 3b 31 2d 31 2d 39 | -1-2;2-1-1;2-1-9;..8.....6;1-1-9 |
3d3a0 | 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 39 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d | ;1-1-19;2-2-1;..9.....9;1-1-6;2- |
3d3c0 | 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 12 00 00 00 43 3d 43 43 4e 28 43 43 28 3d 4f 29 | 1-19;....smiles.....C=CCN(CC(=O) |
3d3e0 | 43 29 4e 3d 4f 00 02 69 6e 63 68 69 00 39 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 30 4e | C)N=O..inchi.9...InChI=1S/C6H10N |
3d400 | 32 4f 32 2f 63 31 2d 33 2d 34 2d 38 28 37 2d 31 30 29 35 2d 36 28 32 29 39 2f 68 33 48 2c 31 2c | 2O2/c1-3-4-8(7-10)5-6(2)9/h3H,1, |
3d420 | 34 2d 35 48 32 2c 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 8f f5 5e 46 50 01 00 00 09 63 | 4-5H2,2H3..updated_at...^FP....c |
3d440 | 72 65 61 74 65 64 5f 61 74 00 8d f5 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at...^FP....default_finge |
3d460 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 36 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 | rprint_size......6...._id.V..g+r |
3d480 | ed 2b 40 00 01 33 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .+@..3.warnings.......fingerprin |
3d4a0 | 74 73 00 58 01 00 00 04 4d 50 32 44 00 4d 01 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b | ts.X....MP2D.M....0.....9;1-1-6; |
3d4c0 | 32 2d 31 2d 31 39 3b 00 02 31 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d | 2-1-19;..1.....6;1-1-9;1-1-19;2- |
3d4e0 | 32 2d 31 3b 00 02 32 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 32 2d 32 | 2-1;..2.....19;1-2-1;1-1-6;2-2-2 |
3d500 | 3b 32 2d 31 2d 39 3b 00 02 33 00 22 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d | ;2-1-9;..3."...1;1-1-2;1-1-19;2- |
3d520 | 32 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 34 00 16 00 00 00 32 3b 31 2d 32 2d 31 3b | 2-1;2-1-6;2-1-9;..4.....2;1-2-1; |
3d540 | 31 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 35 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 | 1-1-9;2-1-19;..5.....9;1-1-2;2-2 |
3d560 | 2d 31 3b 00 02 36 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 | -1;..6.....1;1-1-2;2-1-1;2-1-9;. |
3d580 | 02 37 00 22 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d | .7."...1;1-1-2;1-1-19;2-2-1;2-1- |
3d5a0 | 36 3b 32 2d 31 2d 39 3b 00 02 38 00 16 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 39 3b 32 2d | 6;2-1-9;..8.....2;1-2-1;1-1-9;2- |
3d5c0 | 31 2d 31 39 3b 00 02 39 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 02 31 30 00 | 1-19;..9.....9;1-1-2;2-2-1;..10. |
3d5e0 | 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c | ....1;1-1-2;2-1-1;2-1-9;....smil |
3d600 | 65 73 00 15 00 00 00 4f 3d 4e 4e 28 43 43 28 3d 4f 29 43 29 43 43 28 3d 4f 29 43 00 02 69 6e 63 | es.....O=NN(CC(=O)C)CC(=O)C..inc |
3d620 | 68 69 00 39 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 30 4e 32 4f 33 2f 63 31 2d 35 28 39 | hi.9...InChI=1S/C6H10N2O3/c1-5(9 |
3d640 | 29 33 2d 38 28 37 2d 31 31 29 34 2d 36 28 32 29 31 30 2f 68 33 2d 34 48 32 2c 31 2d 32 48 33 00 | )3-8(7-11)4-6(2)10/h3-4H2,1-2H3. |
3d660 | 09 75 70 64 61 74 65 64 5f 61 74 00 95 f5 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at...^FP....created_at. |
3d680 | 93 f5 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | ..^FP....default_fingerprint_siz |
3d6a0 | 65 00 00 00 00 00 00 4b 03 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 34 04 77 61 72 | e......K...._id.V..g+r.+@..4.war |
3d6c0 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 43 02 00 00 04 4d 50 | nings.......fingerprints.C....MP |
3d6e0 | 32 44 00 38 02 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 | 2D.8....0.....9;1-1-19;2-1-3;2-1 |
3d700 | 2d 39 3b 00 02 31 00 1d 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 31 2d 33 3b | -9;..1.....19;1-1-3;1-2-9;2-1-3; |
3d720 | 32 2d 31 2d 31 31 3b 00 02 32 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d | 2-1-11;..2.....9;1-1-19;2-1-3;2- |
3d740 | 31 2d 39 3b 00 02 33 00 30 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 | 1-9;..3.0...3;1-1-3;1-1-11;1-1-1 |
3d760 | 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 34 00 24 | 9;2-1-1;2-1-3;2-2-9;2-1-11;..4.$ |
3d780 | 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 | ...3;1-1-3;1-1-11;2-1-3;2-1-11;2 |
3d7a0 | 2d 31 2d 31 39 3b 00 02 35 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 | -1-19;..5.....11;1-2-3;2-1-1;2-1 |
3d7c0 | 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 31 31 | -3;2-1-11;..6.....3;1-1-1;1-2-11 |
3d7e0 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 2a 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d | ;2-1-1;2-2-3;..7.*...11;1-1-1;1- |
3d800 | 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 | 2-3;2-2-1;2-1-3;2-1-11;2-1-19;.. |
3d820 | 38 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 | 8.....1;1-1-1;1-1-11;2-2-3;2-1-8 |
3d840 | 3b 00 02 39 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 32 2d | ;..9.....1;1-1-1;1-1-8;2-1-11;2- |
3d860 | 31 2d 31 32 3b 00 02 31 30 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 | 1-12;..10."...8;1-1-1;1-1-12;2-1 |
3d880 | 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 31 00 16 00 00 00 31 32 3b 31 2d 33 2d 38 | -1;2-2-8;2-1-9;..11.....12;1-3-8 |
3d8a0 | 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 00 02 31 32 00 10 00 00 00 39 3b 31 2d 31 2d 31 32 3b 32 | ;1-1-9;2-1-1;..12.....9;1-1-12;2 |
3d8c0 | 2d 33 2d 38 3b 00 02 31 33 00 16 00 00 00 38 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 | -3-8;..13.....8;1-1-12;2-2-8;2-1 |
3d8e0 | 2d 39 3b 00 02 31 34 00 16 00 00 00 38 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 | -9;..14.....8;1-1-12;2-2-8;2-1-9 |
3d900 | 3b 00 02 31 35 00 10 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 00 00 02 73 6d 69 | ;..15.....1;1-1-3;2-2-11;....smi |
3d920 | 6c 65 73 00 1e 00 00 00 4f 3d 4e 28 3d 4f 29 63 31 63 6e 63 28 6e 31 43 43 4f 50 28 3d 4f 29 28 | les.....O=N(=O)c1cnc(n1CCOP(=O)( |
3d940 | 4f 29 4f 29 43 00 02 69 6e 63 68 69 00 5a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 30 4e | O)O)C..inchi.Z...InChI=1S/C6H10N |
3d960 | 33 4f 36 50 2f 63 31 2d 35 2d 37 2d 34 2d 36 28 39 28 31 30 29 31 31 29 38 28 35 29 32 2d 33 2d | 3O6P/c1-5-7-4-6(9(10)11)8(5)2-3- |
3d980 | 31 35 2d 31 36 28 31 32 2c 31 33 29 31 34 2f 68 34 48 2c 32 2d 33 48 32 2c 31 48 33 2c 28 48 32 | 15-16(12,13)14/h4H,2-3H2,1H3,(H2 |
3d9a0 | 2c 31 32 2c 31 33 2c 31 34 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 9b f5 5e 46 50 01 00 00 09 | ,12,13,14)..updated_at...^FP.... |
3d9c0 | 63 72 65 61 74 65 64 5f 61 74 00 9a f5 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at...^FP....default_fing |
3d9e0 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 12 03 00 00 07 5f 69 64 00 56 16 1c 67 2b | erprint_size..........._id.V..g+ |
3da00 | 72 ed 2b 40 00 01 35 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.+@..5.warnings.......fingerpri |
3da20 | 6e 74 73 00 1b 02 00 00 04 4d 50 32 44 00 10 02 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 31 | nts......MP2D......0.....1;1-1-1 |
3da40 | 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 00 16 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 | 9;2-1-1;2-1-6;..1.....19;1-2-1;1 |
3da60 | 2d 31 2d 36 3b 32 2d 31 2d 36 3b 00 02 32 00 1c 00 00 00 36 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 | -1-6;2-1-6;..2.....6;1-1-6;1-1-1 |
3da80 | 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 00 23 00 00 00 36 3b 31 2d 31 2d 33 3b 31 2d | 9;2-2-1;2-1-3;..3.#...6;1-1-3;1- |
3daa0 | 31 2d 36 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 34 00 36 00 00 00 | 1-6;2-1-3;2-1-11;2-1-19;..4.6... |
3dac0 | 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 | 3;1-1-3;1-1-6;1-1-11;2-1-2;2-1-3 |
3dae0 | 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 02 35 00 24 00 00 00 31 31 3b | ;2-1-6;2-1-11;2-1-13;..5.$...11; |
3db00 | 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 31 3b | 1-2-3;1-1-13;2-1-3;2-1-6;2-1-11; |
3db20 | 00 02 36 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 37 00 17 00 00 00 | ..6.....13;1-1-11;2-2-3;..7..... |
3db40 | 33 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 38 00 1d 00 00 00 31 31 | 3;1-2-11;2-2-3;2-1-13;..8.....11 |
3db60 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 39 00 36 00 | ;1-2-3;2-1-2;2-1-3;2-1-11;..9.6. |
3db80 | 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 | ..3;1-1-2;1-1-3;1-1-11;2-1-3;2-1 |
3dba0 | 2d 36 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 23 00 00 00 | -6;2-1-9;2-1-11;2-1-28;..10.#... |
3dbc0 | 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 | 2;1-1-3;1-1-9;1-1-28;2-1-3;2-1-1 |
3dbe0 | 31 3b 00 02 31 31 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b | 1;..11.....9;1-1-2;2-1-3;2-1-28; |
3dc00 | 00 02 31 32 00 16 00 00 00 32 38 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 | ..12.....28;1-1-2;2-1-3;2-1-9;.. |
3dc20 | 31 33 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 00 00 02 | 13.....1;1-1-19;2-1-1;2-1-6;.... |
3dc40 | 73 6d 69 6c 65 73 00 19 00 00 00 43 4e 28 4e 3d 4e 63 31 5b 6e 48 5d 63 6e 63 31 43 28 3d 4f 29 | smiles.....CN(N=Nc1[nH]cnc1C(=O) |
3dc60 | 4e 29 43 00 02 69 6e 63 68 69 00 4e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 30 4e 36 4f | N)C..inchi.N...InChI=1S/C6H10N6O |
3dc80 | 2f 63 31 2d 31 32 28 32 29 31 31 2d 31 30 2d 36 2d 34 28 35 28 37 29 31 33 29 38 2d 33 2d 39 2d | /c1-12(2)11-10-6-4(5(7)13)8-3-9- |
3dca0 | 36 2f 68 33 48 2c 31 2d 32 48 33 2c 28 48 32 2c 37 2c 31 33 29 28 48 2c 38 2c 39 29 00 09 75 70 | 6/h3H,1-2H3,(H2,7,13)(H,8,9)..up |
3dcc0 | 64 61 74 65 64 5f 61 74 00 a2 f5 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a0 f5 5e | dated_at...^FP....created_at...^ |
3dce0 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
3dd00 | 00 00 00 00 15 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 36 04 77 61 72 6e 69 6e | ........._id.V..g+r.+@..6.warnin |
3dd20 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 38 01 00 00 04 4d 50 32 44 00 | gs.......fingerprints.8....MP2D. |
3dd40 | 2d 01 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 1b 00 00 | -....0.....8;1-1-1;2-1-1;..1.... |
3dd60 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 00 1b | .1;1-1-1;1-1-8;2-1-1;2-1-8;..2.. |
3dd80 | 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 00 02 33 | ...1;1-2-1;1-1-8;2-1-1;2-2-8;..3 |
3dda0 | 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 | .....1;1-1-1;1-1-8;2-2-1;2-1-8;. |
3ddc0 | 02 34 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 1c | .4.....8;1-2-1;2-2-1;2-1-8;..5.. |
3dde0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 31 37 3b 00 02 | ...1;1-1-1;1-2-8;2-3-1;2-1-17;.. |
3de00 | 36 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 37 00 16 00 | 6.....8;1-2-1;2-3-1;2-1-8;..7... |
3de20 | 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 37 3b 32 2d 32 2d 38 3b 00 02 38 00 10 00 00 00 31 | ..1;1-2-1;1-1-17;2-2-8;..8.....1 |
3de40 | 37 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 39 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d | 7;1-1-1;2-2-1;..9.....1;1-1-1;2- |
3de60 | 31 2d 31 3b 32 2d 31 2d 31 37 3b 00 00 00 02 73 6d 69 6c 65 73 00 11 00 00 00 4f 43 43 31 43 4f | 1-1;2-1-17;....smiles.....OCC1CO |
3de80 | 43 28 4f 31 29 43 28 49 29 43 00 02 69 6e 63 68 69 00 3c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | C(O1)C(I)C..inchi.<...InChI=1S/C |
3dea0 | 36 48 31 31 49 4f 33 2f 63 31 2d 34 28 37 29 36 2d 39 2d 33 2d 35 28 32 2d 38 29 31 30 2d 36 2f | 6H11IO3/c1-4(7)6-9-3-5(2-8)10-6/ |
3dec0 | 68 34 2d 36 2c 38 48 2c 32 2d 33 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 a8 f5 | h4-6,8H,2-3H2,1H3..updated_at... |
3dee0 | 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a6 f5 5e 46 50 01 00 00 10 64 65 66 61 75 | ^FP....created_at...^FP....defau |
3df00 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 85 02 00 00 07 5f 69 | lt_fingerprint_size..........._i |
3df20 | 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 37 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..g+r.+@..7.warnings.......fi |
3df40 | 6e 67 65 72 70 72 69 6e 74 73 00 9a 01 00 00 04 4d 50 32 44 00 8f 01 00 00 02 30 00 10 00 00 00 | ngerprints......MP2D......0..... |
3df60 | 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | 1;1-1-1;2-1-19;..1.....1;1-1-1;1 |
3df80 | 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 32 00 28 00 00 00 31 39 3b 31 2d 31 | -1-19;2-1-2;2-1-6;..2.(...19;1-1 |
3dfa0 | 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 32 2d 39 | -1;1-1-2;1-1-6;2-1-1;2-1-6;2-2-9 |
3dfc0 | 3b 00 02 33 00 22 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d | ;..3."...2;1-1-6;1-1-9;1-1-19;2- |
3dfe0 | 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 34 00 22 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | 2-1;2-1-6;..4."...6;1-1-1;1-1-2; |
3e000 | 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 35 00 21 00 00 00 31 3b 31 2d 31 | 2-1-2;2-1-9;2-1-19;..5.!...1;1-1 |
3e020 | 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 36 00 15 | -2;1-1-6;2-1-1;2-1-2;2-1-9;..6.. |
3e040 | 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 39 3b 32 2d 31 2d 36 3b 00 02 37 00 0f 00 00 00 39 | ...2;1-2-1;1-1-9;2-1-6;..7.....9 |
3e060 | 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 02 38 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 | ;1-1-2;2-2-1;..8.....1;1-1-2;2-1 |
3e080 | 2d 31 3b 32 2d 31 2d 39 3b 00 02 39 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 | -1;2-1-9;..9.....9;1-1-2;2-1-6;2 |
3e0a0 | 2d 31 2d 31 39 3b 00 02 31 30 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d | -1-19;..10.....6;1-1-9;1-1-19;2- |
3e0c0 | 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 31 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 | 1-1;2-1-2;..11.....9;1-1-6;2-1-1 |
3e0e0 | 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 16 00 00 00 43 43 4e 28 43 28 3d 4e 43 43 28 3d 4f 29 43 | 9;....smiles.....CCN(C(=NCC(=O)C |
3e100 | 29 4f 29 4e 3d 4f 00 02 69 6e 63 68 69 00 45 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 31 | )O)N=O..inchi.E...InChI=1S/C6H11 |
3e120 | 4e 33 4f 33 2f 63 31 2d 33 2d 39 28 38 2d 31 32 29 36 28 31 31 29 37 2d 34 2d 35 28 32 29 31 30 | N3O3/c1-3-9(8-12)6(11)7-4-5(2)10 |
3e140 | 2f 68 33 2d 34 48 32 2c 31 2d 32 48 33 2c 28 48 2c 37 2c 31 31 29 00 09 75 70 64 61 74 65 64 5f | /h3-4H2,1-2H3,(H,7,11)..updated_ |
3e160 | 61 74 00 ad f5 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ac f5 5e 46 50 01 00 00 10 | at...^FP....created_at...^FP.... |
3e180 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 fa 01 | default_fingerprint_size........ |
3e1a0 | 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 38 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V..g+r.+@..8.warnings.... |
3e1c0 | 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 24 01 00 00 04 4d 50 32 44 00 19 01 00 00 02 30 | ...fingerprints.$....MP2D......0 |
3e1e0 | 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 | .....1;1-1-1;2-1-2;..1.....1;1-1 |
3e200 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 02 32 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 | -1;1-1-2;2-1-2;..2.....2;1-1-1;1 |
3e220 | 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 33 00 22 00 00 00 32 3b 31 2d 31 2d | -1-2;2-2-1;2-1-19;..3."...2;1-1- |
3e240 | 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 39 3b 00 02 34 00 1c | 1;1-1-2;1-1-19;2-2-1;2-2-9;..4.. |
3e260 | 00 00 00 31 39 3b 31 2d 31 2d 32 3b 31 2d 32 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 | ...19;1-1-2;1-2-9;2-1-1;2-1-2;.. |
3e280 | 35 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 36 00 16 | 5.....9;1-1-19;2-1-2;2-1-9;..6.. |
3e2a0 | 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 37 00 1c 00 00 00 | ...9;1-1-19;2-1-2;2-1-9;..7..... |
3e2c0 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 38 00 0f | 1;1-1-1;1-1-2;2-1-2;2-1-19;..8.. |
3e2e0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 11 00 00 00 | ...1;1-1-1;2-1-2;....smiles..... |
3e300 | 43 43 43 3d 43 28 4e 28 3d 4f 29 3d 4f 29 43 43 00 02 69 6e 63 68 69 00 35 00 00 00 49 6e 43 68 | CCC=C(N(=O)=O)CC..inchi.5...InCh |
3e320 | 49 3d 31 53 2f 43 36 48 31 31 4e 4f 32 2f 63 31 2d 33 2d 35 2d 36 28 34 2d 32 29 37 28 38 29 39 | I=1S/C6H11NO2/c1-3-5-6(4-2)7(8)9 |
3e340 | 2f 68 35 48 2c 33 2d 34 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 b3 f5 5e | /h5H,3-4H2,1-2H3..updated_at...^ |
3e360 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 b1 f5 5e 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at...^FP....defaul |
3e380 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 5c 02 00 00 07 5f 69 64 | t_fingerprint_size......\...._id |
3e3a0 | 00 56 16 1c 67 2b 72 ed 2b 40 00 01 39 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..g+r.+@..9.warnings.......fin |
3e3c0 | 67 65 72 70 72 69 6e 74 73 00 74 01 00 00 04 4d 50 32 44 00 69 01 00 00 02 30 00 10 00 00 00 31 | gerprints.t....MP2D.i....0.....1 |
3e3e0 | 34 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | 4;1-1-1;2-1-1;..1.....1;1-1-1;1- |
3e400 | 31 2d 31 34 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 00 22 00 00 00 31 3b 31 2d 32 2d 31 | 1-14;2-1-1;2-1-8;..2."...1;1-2-1 |
3e420 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 34 3b 00 02 33 00 1b 00 | ;1-1-8;2-1-1;2-1-8;2-1-14;..3... |
3e440 | 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 34 00 | ..1;1-2-1;1-1-8;2-2-1;2-2-8;..4. |
3e460 | 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 | ....1;1-2-1;1-1-8;2-2-1;2-2-8;.. |
3e480 | 35 00 22 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b | 5."...1;1-2-1;1-1-8;2-1-1;2-1-8; |
3e4a0 | 32 2d 31 2d 31 34 3b 00 02 36 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 34 3b 32 2d | 2-1-14;..6.....1;1-1-1;1-1-14;2- |
3e4c0 | 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 37 00 10 00 00 00 31 34 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 | 1-1;2-1-8;..7.....14;1-1-1;2-1-1 |
3e4e0 | 3b 00 02 38 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 39 00 0f 00 00 00 38 | ;..8.....8;1-1-1;2-2-1;..9.....8 |
3e500 | 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d | ;1-1-1;2-2-1;..10.....8;1-1-1;2- |
3e520 | 32 2d 31 3b 00 02 31 31 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 02 73 | 2-1;..11.....8;1-1-1;2-2-1;....s |
3e540 | 6d 69 6c 65 73 00 17 00 00 00 42 72 43 43 28 43 28 43 28 43 28 43 42 72 29 4f 29 4f 29 4f 29 4f | miles.....BrCC(C(C(C(CBr)O)O)O)O |
3e560 | 00 02 69 6e 63 68 69 00 41 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 32 42 72 32 4f 34 2f | ..inchi.A...InChI=1S/C6H12Br2O4/ |
3e580 | 63 37 2d 31 2d 33 28 39 29 35 28 31 31 29 36 28 31 32 29 34 28 31 30 29 32 2d 38 2f 68 33 2d 36 | c7-1-3(9)5(11)6(12)4(10)2-8/h3-6 |
3e5a0 | 2c 39 2d 31 32 48 2c 31 2d 32 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 b8 f5 5e 46 50 01 00 | ,9-12H,1-2H2..updated_at...^FP.. |
3e5c0 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 b7 f5 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at...^FP....default_fi |
3e5e0 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 b0 02 00 00 07 5f 69 64 00 56 16 1c | ngerprint_size..........._id.V.. |
3e600 | 67 2b 72 ed 2b 40 00 01 3a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | g+r.+@..:.warnings.......fingerp |
3e620 | 72 69 6e 74 73 00 cb 01 00 00 04 4d 50 32 44 00 c0 01 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d | rints......MP2D......0.....15;1- |
3e640 | 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 | 1-1;2-1-1;..1.....1;1-1-1;1-1-15 |
3e660 | 3b 32 2d 31 2d 38 3b 00 02 32 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 | ;2-1-8;..2.....1;1-1-1;1-1-8;2-1 |
3e680 | 2d 31 32 3b 32 2d 31 2d 31 35 3b 00 02 33 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 | -12;2-1-15;..3."...8;1-1-1;1-1-1 |
3e6a0 | 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 34 00 16 00 00 00 31 32 3b 31 | 2;2-1-1;2-2-8;2-1-9;..4.....12;1 |
3e6c0 | 2d 33 2d 38 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b 00 02 35 00 10 00 00 00 39 3b 31 2d 31 2d 31 | -3-8;1-1-9;2-3-1;..5.....9;1-1-1 |
3e6e0 | 32 3b 32 2d 33 2d 38 3b 00 02 36 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 | 2;2-3-8;..6."...8;1-1-1;1-1-12;2 |
3e700 | 2d 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 37 00 1d 00 00 00 31 3b 31 2d 31 2d 31 | -1-1;2-2-8;2-1-9;..7.....1;1-1-1 |
3e720 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 32 2d 31 2d 31 35 3b 00 02 38 00 16 00 00 00 31 3b 31 | ;1-1-8;2-1-12;2-1-15;..8.....1;1 |
3e740 | 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 38 3b 00 02 39 00 10 00 00 00 31 35 3b 31 2d 31 | -1-1;1-1-15;2-1-8;..9.....15;1-1 |
3e760 | 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 30 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 | -1;2-1-1;..10."...8;1-1-1;1-1-12 |
3e780 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 31 00 1d 00 00 00 31 3b 31 2d | ;2-1-1;2-2-8;2-1-9;..11.....1;1- |
3e7a0 | 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 32 2d 31 2d 31 35 3b 00 02 31 32 00 16 00 00 | 1-1;1-1-8;2-1-12;2-1-15;..12.... |
3e7c0 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 38 3b 00 02 31 33 00 10 00 00 00 31 | .1;1-1-1;1-1-15;2-1-8;..13.....1 |
3e7e0 | 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 17 00 00 00 43 6c 43 | 5;1-1-1;2-1-1;....smiles.....ClC |
3e800 | 43 4f 50 28 3d 4f 29 28 4f 43 43 43 6c 29 4f 43 43 43 6c 00 02 69 6e 63 68 69 00 3e 00 00 00 49 | COP(=O)(OCCCl)OCCCl..inchi.>...I |
3e820 | 6e 43 68 49 3d 31 53 2f 43 36 48 31 32 43 6c 33 4f 34 50 2f 63 37 2d 31 2d 34 2d 31 31 2d 31 34 | nChI=1S/C6H12Cl3O4P/c7-1-4-11-14 |
3e840 | 28 31 30 2c 31 32 2d 35 2d 32 2d 38 29 31 33 2d 36 2d 33 2d 39 2f 68 31 2d 36 48 32 00 09 75 70 | (10,12-5-2-8)13-6-3-9/h1-6H2..up |
3e860 | 64 61 74 65 64 5f 61 74 00 be f5 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 bc f5 5e | dated_at...^FP....created_at...^ |
3e880 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
3e8a0 | 00 00 00 00 c7 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 3b 04 77 61 72 6e 69 6e | ........._id.V..g+r.+@..;.warnin |
3e8c0 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ce 01 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
3e8e0 | c3 01 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 00 1c 00 | .....0.....9;1-1-6;2-1-19;..1... |
3e900 | 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 | ..6;1-1-9;1-1-19;2-1-1;2-1-2;..2 |
3e920 | 00 2f 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b | ./...19;1-1-1;1-1-2;1-1-6;2-1-1; |
3e940 | 32 2d 31 2d 36 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 35 3b 00 02 33 00 22 00 00 00 32 3b 31 2d 31 | 2-1-6;2-2-9;2-1-15;..3."...2;1-1 |
3e960 | 2d 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 34 00 | -6;1-1-9;1-1-19;2-2-1;2-1-6;..4. |
3e980 | 22 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d | "...6;1-1-1;1-1-2;2-1-1;2-1-9;2- |
3e9a0 | 31 2d 31 39 3b 00 02 35 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 | 1-19;..5.!...1;1-1-1;1-1-6;2-1-1 |
3e9c0 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 36 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 | ;2-1-2;2-1-8;..6.....1;1-2-1;1-1 |
3e9e0 | 2d 38 3b 32 2d 31 2d 36 3b 00 02 37 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 | -8;2-1-6;..7.....8;1-1-1;2-2-1;. |
3ea00 | 02 38 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 39 00 16 | .8.....1;1-1-1;2-1-1;2-1-8;..9.. |
3ea20 | 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 23 00 00 | ...9;1-1-2;2-1-6;2-1-19;..10.#.. |
3ea40 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 31 | .1;1-1-1;1-1-15;1-1-19;2-1-2;2-1 |
3ea60 | 2d 36 3b 00 02 31 31 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 | -6;..11.....15;1-1-1;2-1-1;2-1-1 |
3ea80 | 39 3b 00 02 31 32 00 17 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 31 39 | 9;..12.....1;1-1-1;2-1-15;2-1-19 |
3eaa0 | 3b 00 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 4f 3d 4e 4e 28 43 28 3d 4e 43 43 28 4f 29 43 29 | ;....smiles.....O=NN(C(=NCC(O)C) |
3eac0 | 4f 29 43 28 43 6c 29 43 00 02 69 6e 63 68 69 00 50 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 | O)C(Cl)C..inchi.P...InChI=1S/C6H |
3eae0 | 31 32 43 6c 4e 33 4f 33 2f 63 31 2d 34 28 31 31 29 33 2d 38 2d 36 28 31 32 29 31 30 28 39 2d 31 | 12ClN3O3/c1-4(11)3-8-6(12)10(9-1 |
3eb00 | 33 29 35 28 32 29 37 2f 68 34 2d 35 2c 31 31 48 2c 33 48 32 2c 31 2d 32 48 33 2c 28 48 2c 38 2c | 3)5(2)7/h4-5,11H,3H2,1-2H3,(H,8, |
3eb20 | 31 32 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 c4 f5 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 | 12)..updated_at...^FP....created |
3eb40 | 5f 61 74 00 c2 f5 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...^FP....default_fingerprint |
3eb60 | 5f 73 69 7a 65 00 00 00 00 00 00 b5 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 3c | _size..........._id.V..g+r.+@..< |
3eb80 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c0 01 00 | .warnings.......fingerprints.... |
3eba0 | 00 04 4d 50 32 44 00 b5 01 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 | ..MP2D......0.....15;1-1-1;2-1-1 |
3ebc0 | 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 36 3b 00 02 | ;..1.....1;1-1-1;1-1-15;2-1-6;.. |
3ebe0 | 32 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 | 2.....1;1-1-1;1-1-6;2-1-2;2-1-15 |
3ec00 | 3b 00 02 33 00 22 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 | ;..3."...6;1-1-1;1-1-2;2-1-1;2-1 |
3ec20 | 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 34 00 22 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b | -9;2-1-19;..4."...2;1-1-6;1-1-9; |
3ec40 | 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 35 00 28 00 00 00 31 39 3b 31 2d | 1-1-19;2-2-1;2-1-6;..5.(...19;1- |
3ec60 | 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 32 2d | 1-1;1-1-2;1-1-6;2-1-1;2-1-6;2-2- |
3ec80 | 39 3b 00 02 36 00 28 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 | 9;..6.(...1;1-1-1;1-1-19;2-1-1;2 |
3eca0 | 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 37 00 16 00 00 00 31 3b 31 2d 32 2d 31 | -1-2;2-1-6;2-1-8;..7.....1;1-2-1 |
3ecc0 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 39 3b 00 02 38 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d | ;1-1-8;2-1-19;..8.....8;1-1-1;2- |
3ece0 | 32 2d 31 3b 00 02 39 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b | 2-1;..9.....1;1-1-1;2-1-1;2-1-8; |
3ed00 | 00 02 31 30 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d | ..10.....6;1-1-9;1-1-19;2-1-1;2- |
3ed20 | 31 2d 32 3b 00 02 31 31 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 32 | 1-2;..11.....9;1-1-6;2-1-19;..12 |
3ed40 | 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d | .....9;1-1-2;2-1-6;2-1-19;....sm |
3ed60 | 69 6c 65 73 00 17 00 00 00 43 6c 43 43 4e 3d 43 28 4e 28 43 43 28 4f 29 43 29 4e 3d 4f 29 4f 00 | iles.....ClCCN=C(N(CC(O)C)N=O)O. |
3ed80 | 02 69 6e 63 68 69 00 4e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 32 43 6c 4e 33 4f 33 2f | .inchi.N...InChI=1S/C6H12ClN3O3/ |
3eda0 | 63 31 2d 35 28 31 31 29 34 2d 31 30 28 39 2d 31 33 29 36 28 31 32 29 38 2d 33 2d 32 2d 37 2f 68 | c1-5(11)4-10(9-13)6(12)8-3-2-7/h |
3edc0 | 35 2c 31 31 48 2c 32 2d 34 48 32 2c 31 48 33 2c 28 48 2c 38 2c 31 32 29 00 09 75 70 64 61 74 65 | 5,11H,2-4H2,1H3,(H,8,12)..update |
3ede0 | 64 5f 61 74 00 ca f5 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c8 f5 5e 46 50 01 00 | d_at...^FP....created_at...^FP.. |
3ee00 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 | ..default_fingerprint_size...... |
3ee20 | ec 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 3d 04 77 61 72 6e 69 6e 67 73 00 05 | ....._id.V..g+r.+@..=.warnings.. |
3ee40 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 1a 01 00 00 04 4d 50 32 44 00 0f 01 00 00 | .....fingerprints......MP2D..... |
3ee60 | 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 00 16 00 00 00 36 3b | .0.....9;1-1-6;2-1-19;..1.....6; |
3ee80 | 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 32 00 1c 00 00 00 31 39 3b 31 2d | 1-1-9;1-1-19;2-2-1;..2.....19;1- |
3eea0 | 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 1c 00 00 00 31 3b | 2-1;1-1-6;2-3-1;2-1-9;..3.....1; |
3eec0 | 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 34 00 16 00 00 | 1-1-1;1-1-19;2-2-1;2-1-6;..4.... |
3eee0 | 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 35 00 0f 00 00 00 31 3b | .1;1-2-1;2-1-1;2-1-19;..5.....1; |
3ef00 | 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 36 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d | 1-2-1;2-2-1;..6.....1;1-2-1;2-2- |
3ef20 | 31 3b 32 2d 31 2d 31 39 3b 00 02 37 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 39 3b | 1;2-1-19;..7.....1;1-2-1;1-1-19; |
3ef40 | 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 38 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d | 2-2-1;2-1-6;..8.....1;1-1-1;2-1- |
3ef60 | 31 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 0d 00 00 00 4f 3d 4e 4e 31 43 43 43 | 1;2-1-19;....smiles.....O=NN1CCC |
3ef80 | 43 43 31 43 00 02 69 6e 63 68 69 00 35 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 32 4e 32 | CC1C..inchi.5...InChI=1S/C6H12N2 |
3efa0 | 4f 2f 63 31 2d 36 2d 34 2d 32 2d 33 2d 35 2d 38 28 36 29 37 2d 39 2f 68 36 48 2c 32 2d 35 48 32 | O/c1-6-4-2-3-5-8(6)7-9/h6H,2-5H2 |
3efc0 | 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 cf f5 5e 46 50 01 00 00 09 63 72 65 61 74 65 | ,1H3..updated_at...^FP....create |
3efe0 | 64 5f 61 74 00 ce f5 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at...^FP....default_fingerprin |
3f000 | 74 5f 73 69 7a 65 00 00 00 00 00 00 1f 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 | t_size..........._id.V..g+r.+@.. |
3f020 | 3e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 41 01 | >.warnings.......fingerprints.A. |
3f040 | 00 00 04 4d 50 32 44 00 36 01 00 00 02 30 00 0f 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 | ...MP2D.6....0.....2;1-1-2;2-1-1 |
3f060 | 3b 00 02 31 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 | ;..1.....2;1-1-1;1-1-2;2-1-19;.. |
3f080 | 32 00 22 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 | 2."...1;1-1-2;1-1-19;2-1-1;2-1-2 |
3f0a0 | 3b 32 2d 31 2d 36 3b 00 02 33 00 22 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d | ;2-1-6;..3."...19;1-2-1;1-1-6;2- |
3f0c0 | 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 34 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b | 1-1;2-1-2;2-1-9;..4."...1;1-1-1; |
3f0e0 | 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 35 00 16 00 00 | 1-1-19;2-2-1;2-1-6;2-1-8;..5.... |
3f100 | 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 39 3b 00 02 36 00 0f 00 00 00 38 3b | .1;1-2-1;1-1-8;2-1-19;..6.....8; |
3f120 | 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 37 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d | 1-1-1;2-2-1;..7.....1;1-1-1;2-1- |
3f140 | 31 3b 32 2d 31 2d 38 3b 00 02 38 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 | 1;2-1-8;..8.....6;1-1-9;1-1-19;2 |
3f160 | 2d 32 2d 31 3b 00 02 39 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 00 00 02 | -2-1;..9.....9;1-1-6;2-1-19;.... |
3f180 | 73 6d 69 6c 65 73 00 11 00 00 00 43 3d 43 43 4e 28 43 43 28 4f 29 43 29 4e 3d 4f 00 02 69 6e 63 | smiles.....C=CCN(CC(O)C)N=O..inc |
3f1a0 | 68 69 00 3d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 32 4e 32 4f 32 2f 63 31 2d 33 2d 34 | hi.=...InChI=1S/C6H12N2O2/c1-3-4 |
3f1c0 | 2d 38 28 37 2d 31 30 29 35 2d 36 28 32 29 39 2f 68 33 2c 36 2c 39 48 2c 31 2c 34 2d 35 48 32 2c | -8(7-10)5-6(2)9/h3,6,9H,1,4-5H2, |
3f1e0 | 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 d5 f5 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 | 2H3..updated_at...^FP....created |
3f200 | 5f 61 74 00 d4 f5 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...^FP....default_fingerprint |
3f220 | 5f 73 69 7a 65 00 00 00 00 00 00 45 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 3f | _size......E...._id.V..g+r.+@..? |
3f240 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 64 01 00 | .warnings.......fingerprints.d.. |
3f260 | 00 04 4d 50 32 44 00 59 01 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b | ..MP2D.Y....0.....8;1-1-1;2-2-1; |
3f280 | 00 02 31 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 38 3b 32 2d 31 2d | ..1.....1;1-2-1;1-1-8;2-1-8;2-1- |
3f2a0 | 31 39 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 | 19;..2.....1;1-1-1;1-1-8;2-1-1;2 |
3f2c0 | 2d 31 2d 38 3b 00 02 33 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 34 00 22 | -1-8;..3.....8;1-1-1;2-1-1;..4." |
3f2e0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 32 2d | ...1;1-1-1;1-1-19;2-2-1;2-1-6;2- |
3f300 | 31 2d 38 3b 00 02 35 00 22 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 | 1-8;..5."...19;1-2-1;1-1-6;2-1-1 |
3f320 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 36 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 | ;2-1-2;2-1-9;..6.....6;1-1-9;1-1 |
3f340 | 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 37 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 | -19;2-2-1;..7.....9;1-1-6;2-1-19 |
3f360 | 3b 00 02 38 00 22 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d | ;..8."...1;1-1-2;1-1-19;2-1-1;2- |
3f380 | 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 39 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | 1-2;2-1-6;..9.....2;1-1-1;1-1-2; |
3f3a0 | 32 2d 31 2d 31 39 3b 00 02 31 30 00 0f 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 00 00 | 2-1-19;..10.....2;1-1-2;2-1-1;.. |
3f3c0 | 00 02 73 6d 69 6c 65 73 00 12 00 00 00 4f 43 28 43 4f 29 43 4e 28 4e 3d 4f 29 43 43 3d 43 00 02 | ..smiles.....OC(CO)CN(N=O)CC=C.. |
3f3e0 | 69 6e 63 68 69 00 3f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 32 4e 32 4f 33 2f 63 31 2d | inchi.?...InChI=1S/C6H12N2O3/c1- |
3f400 | 32 2d 33 2d 38 28 37 2d 31 31 29 34 2d 36 28 31 30 29 35 2d 39 2f 68 32 2c 36 2c 39 2d 31 30 48 | 2-3-8(7-11)4-6(10)5-9/h2,6,9-10H |
3f420 | 2c 31 2c 33 2d 35 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 da f5 5e 46 50 01 00 00 09 63 72 | ,1,3-5H2..updated_at...^FP....cr |
3f440 | 65 61 74 65 64 5f 61 74 00 d9 f5 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at...^FP....default_finger |
3f460 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 62 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed | print_size......b...._id.V..g+r. |
3f480 | 2b 40 00 01 40 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | +@..@.warnings.......fingerprint |
3f4a0 | 73 00 74 01 00 00 04 4d 50 32 44 00 69 01 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b | s.t....MP2D.i....0.....1;1-1-19; |
3f4c0 | 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 00 16 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 | 2-1-1;2-1-6;..1.....19;1-2-1;1-1 |
3f4e0 | 2d 36 3b 32 2d 31 2d 32 3b 00 02 32 00 1c 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b | -6;2-1-2;..2.....6;1-1-2;1-1-19; |
3f500 | 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 2-3-1;2-1-9;..3."...2;1-1-1;1-1- |
3f520 | 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 34 00 21 00 00 00 31 3b 31 | 6;1-1-9;2-1-1;2-1-19;..4.!...1;1 |
3f540 | 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 35 | -1-1;1-1-2;2-1-2;2-1-6;2-1-9;..5 |
3f560 | 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 32 3b | .....1;1-1-1;1-1-2;2-1-2;2-2-32; |
3f580 | 00 02 36 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d 31 3b 00 02 37 | ..6.....2;1-1-1;1-2-32;2-1-1;..7 |
3f5a0 | 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 38 00 17 | .....32;1-1-2;2-1-1;2-1-32;..8.. |
3f5c0 | 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 39 00 15 00 00 | ...32;1-1-2;2-1-1;2-1-32;..9.... |
3f5e0 | 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 30 00 16 00 00 00 31 3b | .9;1-1-2;2-1-1;2-1-6;..10.....1; |
3f600 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 14 00 | 1-1-19;2-1-1;2-1-6;....smiles... |
3f620 | 00 00 43 4e 28 4e 3d 43 28 43 43 43 28 3d 4f 29 4f 29 4f 29 43 00 02 69 6e 63 68 69 00 4a 00 00 | ..CN(N=C(CCC(=O)O)O)C..inchi.J.. |
3f640 | 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 32 4e 32 4f 33 2f 63 31 2d 38 28 32 29 37 2d 35 28 39 | .InChI=1S/C6H12N2O3/c1-8(2)7-5(9 |
3f660 | 29 33 2d 34 2d 36 28 31 30 29 31 31 2f 68 33 2d 34 48 32 2c 31 2d 32 48 33 2c 28 48 2c 37 2c 39 | )3-4-6(10)11/h3-4H2,1-2H3,(H,7,9 |
3f680 | 29 28 48 2c 31 30 2c 31 31 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 e0 f5 5e 46 50 01 00 00 09 | )(H,10,11)..updated_at...^FP.... |
3f6a0 | 63 72 65 61 74 65 64 5f 61 74 00 df f5 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at...^FP....default_fing |
3f6c0 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 6a 02 00 00 07 5f 69 64 00 56 16 1c 67 2b | erprint_size......j...._id.V..g+ |
3f6e0 | 72 ed 2b 40 00 01 41 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.+@..A.warnings.......fingerpri |
3f700 | 6e 74 73 00 80 01 00 00 04 4d 50 32 44 00 75 01 00 00 02 30 00 0f 00 00 00 39 3b 31 2d 31 2d 36 | nts......MP2D.u....0.....9;1-1-6 |
3f720 | 3b 32 2d 31 2d 31 3b 00 02 31 00 1b 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 32 2d 31 | ;2-1-1;..1.....6;1-1-1;1-1-9;2-1 |
3f740 | 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 00 27 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 | -1;2-1-8;..2.'...1;1-1-1;1-1-6;1 |
3f760 | 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 33 00 21 00 00 00 31 | -1-8;2-1-1;2-1-8;2-1-9;..3.!...1 |
3f780 | 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 35 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 | ;1-2-1;1-1-8;2-1-5;2-1-6;2-1-8;. |
3f7a0 | 02 34 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 | .4.....1;1-1-1;1-1-5;2-2-1;2-1-8 |
3f7c0 | 3b 00 02 35 00 15 00 00 00 35 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 36 | ;..5.....5;1-2-1;2-1-1;2-1-2;..6 |
3f7e0 | 00 1b 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 | .....1;1-1-2;1-1-5;2-2-1;2-1-9;. |
3f800 | 02 37 00 15 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 39 3b 32 2d 31 2d 35 3b 00 02 38 00 0f | .7.....2;1-2-1;1-1-9;2-1-5;..8.. |
3f820 | 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 02 39 00 15 00 00 00 31 3b 31 2d 31 2d 32 | ...9;1-1-2;2-2-1;..9.....1;1-1-2 |
3f840 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 31 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d | ;2-1-1;2-1-9;..10.....8;1-1-1;2- |
3f860 | 32 2d 31 3b 00 02 31 31 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 | 2-1;..11.....8;1-1-1;2-1-1;2-1-6 |
3f880 | 3b 00 00 00 02 73 6d 69 6c 65 73 00 15 00 00 00 4f 3d 4e 43 28 43 28 43 4e 43 43 28 3d 4f 29 43 | ;....smiles.....O=NC(C(CNCC(=O)C |
3f8a0 | 29 4f 29 4f 00 02 69 6e 63 68 69 00 45 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 32 4e 32 | )O)O..inchi.E...InChI=1S/C6H12N2 |
3f8c0 | 4f 34 2f 63 31 2d 34 28 39 29 32 2d 37 2d 33 2d 35 28 31 30 29 36 28 31 31 29 38 2d 31 32 2f 68 | O4/c1-4(9)2-7-3-5(10)6(11)8-12/h |
3f8e0 | 35 2d 37 2c 31 30 2d 31 31 48 2c 32 2d 33 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 | 5-7,10-11H,2-3H2,1H3..updated_at |
3f900 | 00 e6 f5 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e4 f5 5e 46 50 01 00 00 10 64 65 | ...^FP....created_at...^FP....de |
3f920 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 5b 02 00 00 | fault_fingerprint_size......[... |
3f940 | 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 42 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V..g+r.+@..B.warnings...... |
3f960 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 7d 01 00 00 04 4d 50 32 44 00 72 01 00 00 02 30 00 17 | .fingerprints.}....MP2D.r....0.. |
3f980 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 39 3b 00 02 31 00 23 00 00 | ...1;1-1-1;2-1-10;2-1-19;..1.#.. |
3f9a0 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 | .1;1-1-1;1-1-10;1-1-19;2-2-1;2-1 |
3f9c0 | 2d 36 3b 00 02 32 00 1e 00 00 00 31 30 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 30 | -6;..2.....10;1-2-1;2-2-1;2-1-10 |
3f9e0 | 3b 32 2d 31 2d 31 39 3b 00 02 33 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 31 30 3b 32 | ;2-1-19;..3.....1;1-1-1;1-2-10;2 |
3fa00 | 2d 32 2d 31 3b 00 02 34 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 30 3b 00 02 35 00 | -2-1;..4.....1;1-1-1;2-2-10;..5. |
3fa20 | 1e 00 00 00 31 30 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 39 | ....10;1-2-1;2-2-1;2-1-10;2-1-19 |
3fa40 | 3b 00 02 36 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 31 39 3b 32 | ;..6.#...1;1-1-1;1-1-10;1-1-19;2 |
3fa60 | 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 37 00 23 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d | -2-1;2-1-6;..7.#...19;1-2-1;1-1- |
3fa80 | 36 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 30 3b 00 02 38 00 16 00 00 00 36 3b 31 | 6;2-2-1;2-1-9;2-2-10;..8.....6;1 |
3faa0 | 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 39 00 10 00 00 00 39 3b 31 2d 31 2d | -1-9;1-1-19;2-2-1;..9.....9;1-1- |
3fac0 | 36 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 17 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 30 | 6;2-1-19;..10.....1;1-1-1;2-1-10 |
3fae0 | 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 13 00 00 00 43 43 31 53 43 28 43 29 53 | ;2-1-19;....smiles.....CC1SC(C)S |
3fb00 | 43 28 4e 31 4e 3d 4f 29 43 00 02 69 6e 63 68 69 00 3b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 | C(N1N=O)C..inchi.;...InChI=1S/C6 |
3fb20 | 48 31 32 4e 32 4f 53 32 2f 63 31 2d 34 2d 38 28 37 2d 39 29 35 28 32 29 31 31 2d 36 28 33 29 31 | H12N2OS2/c1-4-8(7-9)5(2)11-6(3)1 |
3fb40 | 30 2d 34 2f 68 34 2d 36 48 2c 31 2d 33 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 ec f5 5e 46 | 0-4/h4-6H,1-3H3..updated_at...^F |
3fb60 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 eb f5 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at...^FP....default |
3fb80 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 9b 02 00 00 07 5f 69 64 00 | _fingerprint_size..........._id. |
3fba0 | 56 16 1c 67 2b 72 ed 2b 40 00 01 43 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..g+r.+@..C.warnings.......fing |
3fbc0 | 65 72 70 72 69 6e 74 73 00 bb 01 00 00 04 4d 50 32 44 00 b0 01 00 00 02 30 00 11 00 00 00 31 38 | erprints......MP2D......0.....18 |
3fbe0 | 3b 31 2d 31 2d 31 32 3b 32 2d 33 2d 35 3b 00 02 31 00 17 00 00 00 31 32 3b 31 2d 33 2d 35 3b 31 | ;1-1-12;2-3-5;..1.....12;1-3-5;1 |
3fc00 | 2d 31 2d 31 38 3b 32 2d 36 2d 31 3b 00 02 32 00 23 00 00 00 35 3b 31 2d 32 2d 31 3b 31 2d 31 2d | -1-18;2-6-1;..2.#...5;1-2-1;1-1- |
3fc20 | 31 32 3b 32 2d 32 2d 31 3b 32 2d 32 2d 35 3b 32 2d 31 2d 31 38 3b 00 02 33 00 22 00 00 00 31 3b | 12;2-2-1;2-2-5;2-1-18;..3."...1; |
3fc40 | 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 31 32 3b 00 | 1-1-1;1-1-5;2-1-1;2-1-5;2-1-12;. |
3fc60 | 02 34 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 | .4."...1;1-1-1;1-1-5;2-1-1;2-1-5 |
3fc80 | 3b 32 2d 31 2d 31 32 3b 00 02 35 00 23 00 00 00 35 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 32 3b 32 | ;2-1-12;..5.#...5;1-2-1;1-1-12;2 |
3fca0 | 2d 32 2d 31 3b 32 2d 32 2d 35 3b 32 2d 31 2d 31 38 3b 00 02 36 00 22 00 00 00 31 3b 31 2d 31 2d | -2-1;2-2-5;2-1-18;..6."...1;1-1- |
3fcc0 | 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 31 32 3b 00 02 37 00 22 | 1;1-1-5;2-1-1;2-1-5;2-1-12;..7." |
3fce0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 | ...1;1-1-1;1-1-5;2-1-1;2-1-5;2-1 |
3fd00 | 2d 31 32 3b 00 02 38 00 23 00 00 00 35 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 31 | -12;..8.#...5;1-2-1;1-1-12;2-2-1 |
3fd20 | 3b 32 2d 32 2d 35 3b 32 2d 31 2d 31 38 3b 00 02 39 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | ;2-2-5;2-1-18;..9."...1;1-1-1;1- |
3fd40 | 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 31 32 3b 00 02 31 30 00 22 00 00 00 | 1-5;2-1-1;2-1-5;2-1-12;..10."... |
3fd60 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 31 32 | 1;1-1-1;1-1-5;2-1-1;2-1-5;2-1-12 |
3fd80 | 3b 00 00 00 02 73 6d 69 6c 65 73 00 17 00 00 00 53 3d 50 28 4e 31 43 43 31 29 28 4e 31 43 43 31 | ;....smiles.....S=P(N1CC1)(N1CC1 |
3fda0 | 29 4e 31 43 43 31 00 02 69 6e 63 68 69 00 39 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 32 | )N1CC1..inchi.9...InChI=1S/C6H12 |
3fdc0 | 4e 33 50 53 2f 63 31 31 2d 31 30 28 37 2d 31 2d 32 2d 37 2c 38 2d 33 2d 34 2d 38 29 39 2d 35 2d | N3PS/c11-10(7-1-2-7,8-3-4-8)9-5- |
3fde0 | 36 2d 39 2f 68 31 2d 36 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 f3 f5 5e 46 50 01 00 00 09 | 6-9/h1-6H2..updated_at...^FP.... |
3fe00 | 63 72 65 61 74 65 64 5f 61 74 00 f2 f5 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at...^FP....default_fing |
3fe20 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 48 02 00 00 07 5f 69 64 00 56 16 1c 67 2b | erprint_size......H...._id.V..g+ |
3fe40 | 72 ed 2b 40 00 01 44 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.+@..D.warnings.......fingerpri |
3fe60 | 6e 74 73 00 65 01 00 00 04 4d 50 32 44 00 5a 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 | nts.e....MP2D.Z....0.....1;1-1-1 |
3fe80 | 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 | ;2-1-1;..1.....1;1-2-1;2-1-1;..2 |
3fea0 | 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 00 16 00 00 00 31 3b 31 2d 32 | .....1;1-2-1;2-2-1;..3.....1;1-2 |
3fec0 | 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 34 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b | -1;2-1-1;2-1-19;..4."...1;1-1-1; |
3fee0 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 35 00 28 00 00 | 1-1-19;2-1-1;2-1-2;2-1-6;..5.(.. |
3ff00 | 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d | .19;1-1-1;1-1-2;1-1-6;2-1-1;2-1- |
3ff20 | 36 3b 32 2d 32 2d 39 3b 00 02 36 00 22 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 31 2d | 6;2-2-9;..6."...2;1-1-6;1-1-9;1- |
3ff40 | 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 37 00 16 00 00 00 36 3b 31 2d 31 2d 32 | 1-19;2-1-1;2-1-6;..7.....6;1-1-2 |
3ff60 | 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 38 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d | ;2-1-9;2-1-19;..8.....9;1-1-2;2- |
3ff80 | 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 39 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 | 1-6;2-1-19;..9.....6;1-1-9;1-1-1 |
3ffa0 | 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 | 9;2-1-1;2-1-2;..10.....9;1-1-6;2 |
3ffc0 | 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 12 00 00 00 43 43 43 43 43 4e 28 43 28 3d 4e | -1-19;....smiles.....CCCCCN(C(=N |
3ffe0 | 29 4f 29 4e 3d 4f 00 02 69 6e 63 68 69 00 41 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 33 | )O)N=O..inchi.A...InChI=1S/C6H13 |
40000 | 4e 33 4f 32 2f 63 31 2d 32 2d 33 2d 34 2d 35 2d 39 28 38 2d 31 31 29 36 28 37 29 31 30 2f 68 32 | N3O2/c1-2-3-4-5-9(8-11)6(7)10/h2 |
40020 | 2d 35 48 32 2c 31 48 33 2c 28 48 32 2c 37 2c 31 30 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 fa | -5H2,1H3,(H2,7,10)..updated_at.. |
40040 | f5 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f8 f5 5e 46 50 01 00 00 10 64 65 66 61 | .^FP....created_at...^FP....defa |
40060 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 d1 01 00 00 07 5f | ult_fingerprint_size..........._ |
40080 | 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 45 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..g+r.+@..E.warnings.......f |
400a0 | 69 6e 67 65 72 70 72 69 6e 74 73 00 04 01 00 00 04 4d 50 32 44 00 f9 00 00 00 02 30 00 10 00 00 | ingerprints......MP2D......0.... |
400c0 | 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b | .1;1-1-1;2-1-28;..1.....1;1-1-1; |
400e0 | 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 1c 00 00 00 32 38 3b 31 2d | 1-1-28;2-1-1;2-1-2;..2.....28;1- |
40100 | 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 1c 00 00 00 32 3b | 2-1;1-1-2;2-3-1;2-1-9;..3.....2; |
40120 | 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 00 02 34 00 16 00 00 | 1-1-1;1-1-9;1-1-28;2-2-1;..4.... |
40140 | 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 35 00 16 00 00 00 31 3b | .9;1-1-2;2-1-1;2-1-28;..5.....1; |
40160 | 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 36 00 1c 00 00 00 31 3b 31 2d 31 | 1-1-2;2-1-9;2-1-28;..6.....1;1-1 |
40180 | 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 37 00 10 00 00 00 31 3b | -1;1-1-28;2-1-1;2-1-2;..7.....1; |
401a0 | 31 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 0e 00 00 00 43 43 4e 28 | 1-1-1;2-1-28;....smiles.....CCN( |
401c0 | 43 28 3d 4f 29 43 29 43 43 00 02 69 6e 63 68 69 00 2f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 | C(=O)C)CC..inchi./...InChI=1S/C6 |
401e0 | 48 31 33 4e 4f 2f 63 31 2d 34 2d 37 28 35 2d 32 29 36 28 33 29 38 2f 68 34 2d 35 48 32 2c 31 2d | H13NO/c1-4-7(5-2)6(3)8/h4-5H2,1- |
40200 | 33 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 00 f6 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 | 3H3..updated_at...^FP....created |
40220 | 5f 61 74 00 ff f5 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...^FP....default_fingerprint |
40240 | 5f 73 69 7a 65 00 00 00 00 00 00 20 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 46 | _size..........._id.V..g+r.+@..F |
40260 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 3f 01 00 | .warnings.......fingerprints.?.. |
40280 | 00 04 4d 50 32 44 00 34 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 30 | ..MP2D.4....0.....1;1-1-1;2-1-10 |
402a0 | 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 00 02 | ;..1.....1;1-1-1;1-1-10;2-1-1;.. |
402c0 | 32 00 10 00 00 00 31 30 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 00 16 00 00 00 31 3b 31 | 2.....10;1-2-1;2-2-1;..3.....1;1 |
402e0 | 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 31 3b 00 02 34 00 1c 00 00 00 31 3b 31 2d 32 2d | -1-1;1-1-10;2-2-1;..4.....1;1-2- |
40300 | 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 35 3b 32 2d 31 2d 31 30 3b 00 02 35 00 22 00 00 00 31 3b 31 | 1;2-1-2;2-1-5;2-1-10;..5."...1;1 |
40320 | 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 32 3b 00 02 | -1-1;1-1-2;1-1-5;2-1-1;2-2-32;.. |
40340 | 36 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 | 6.....2;1-1-1;1-2-32;2-1-1;2-1-5 |
40360 | 3b 00 02 37 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 | ;..7.....32;1-1-2;2-1-1;2-1-32;. |
40380 | 02 38 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 39 | .8.....32;1-1-2;2-1-1;2-1-32;..9 |
403a0 | 00 15 00 00 00 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 | .....5;1-1-1;2-1-1;2-1-2;....smi |
403c0 | 6c 65 73 00 10 00 00 00 43 43 53 43 43 43 28 43 28 3d 4f 29 4f 29 4e 00 02 69 6e 63 68 69 00 41 | les.....CCSCCC(C(=O)O)N..inchi.A |
403e0 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 33 4e 4f 32 53 2f 63 31 2d 32 2d 31 30 2d 34 2d | ...InChI=1S/C6H13NO2S/c1-2-10-4- |
40400 | 33 2d 35 28 37 29 36 28 38 29 39 2f 68 35 48 2c 32 2d 34 2c 37 48 32 2c 31 48 33 2c 28 48 2c 38 | 3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8 |
40420 | 2c 39 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 07 f6 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 | ,9)..updated_at...^FP....created |
40440 | 5f 61 74 00 06 f6 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...^FP....default_fingerprint |
40460 | 5f 73 69 7a 65 00 00 00 00 00 00 d6 01 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 47 | _size..........._id.V..g+r.+@..G |
40480 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 07 01 00 | .warnings.......fingerprints.... |
404a0 | 00 04 4d 50 32 44 00 fc 00 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b | ..MP2D......0.....1;1-1-1;2-1-1; |
404c0 | 00 02 31 00 10 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 32 00 1c 00 00 00 31 | ..1.....1;1-2-1;2-1-19;..2.....1 |
404e0 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 33 00 1c 00 | ;1-1-1;1-1-19;2-2-1;2-1-6;..3... |
40500 | 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 34 | ..19;1-2-1;1-1-6;2-2-1;2-1-9;..4 |
40520 | 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 35 00 10 00 | .....6;1-1-9;1-1-19;2-2-1;..5... |
40540 | 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 36 00 1c 00 00 00 31 3b 31 2d 31 2d 31 | ..9;1-1-6;2-1-19;..6.....1;1-1-1 |
40560 | 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 37 00 10 00 00 00 31 3b 31 2d | ;1-1-19;2-2-1;2-1-6;..7.....1;1- |
40580 | 32 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 | 2-1;2-1-19;..8.....1;1-1-1;2-1-1 |
405a0 | 3b 00 00 00 02 73 6d 69 6c 65 73 00 0d 00 00 00 43 43 43 4e 28 4e 3d 4f 29 43 43 43 00 02 69 6e | ;....smiles.....CCCN(N=O)CCC..in |
405c0 | 63 68 69 00 32 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 34 4e 32 4f 2f 63 31 2d 33 2d 35 | chi.2...InChI=1S/C6H14N2O/c1-3-5 |
405e0 | 2d 38 28 37 2d 39 29 36 2d 34 2d 32 2f 68 33 2d 36 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 74 | -8(7-9)6-4-2/h3-6H2,1-2H3..updat |
40600 | 65 64 5f 61 74 00 0e f6 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 0c f6 5e 46 50 01 | ed_at...^FP....created_at...^FP. |
40620 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
40640 | 00 3e 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 48 04 77 61 72 6e 69 6e 67 73 00 | .>...._id.V..g+r.+@..H.warnings. |
40660 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 58 01 00 00 04 4d 50 32 44 00 4d 01 00 | ......fingerprints.X....MP2D.M.. |
40680 | 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 | ..0.....1;1-1-1;2-1-1;2-1-8;..1. |
406a0 | 16 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 39 3b 00 02 32 00 22 00 00 | ....1;1-2-1;1-1-8;2-1-19;..2.".. |
406c0 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d | .1;1-1-1;1-1-19;2-2-1;2-1-6;2-1- |
406e0 | 38 3b 00 02 33 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 | 8;..3.....19;1-2-1;1-1-6;2-2-1;2 |
40700 | 2d 31 2d 39 3b 00 02 34 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d | -1-9;..4."...1;1-1-1;1-1-19;2-2- |
40720 | 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 35 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d | 1;2-1-6;2-1-8;..5.....1;1-2-1;1- |
40740 | 31 2d 38 3b 32 2d 31 2d 31 39 3b 00 02 36 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 | 1-8;2-1-19;..6.....8;1-1-1;2-2-1 |
40760 | 3b 00 02 37 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 38 | ;..7.....1;1-1-1;2-1-1;2-1-8;..8 |
40780 | 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 39 00 10 00 | .....6;1-1-9;1-1-19;2-2-1;..9... |
407a0 | 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 0f 00 00 00 38 3b 31 2d 31 2d | ..9;1-1-6;2-1-19;..10.....8;1-1- |
407c0 | 31 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 13 00 00 00 43 43 28 43 4e 28 43 43 28 | 1;2-2-1;....smiles.....CC(CN(CC( |
407e0 | 4f 29 43 29 4e 3d 4f 29 4f 00 02 69 6e 63 68 69 00 43 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 | O)C)N=O)O..inchi.C...InChI=1S/C6 |
40800 | 48 31 34 4e 32 4f 33 2f 63 31 2d 35 28 39 29 33 2d 38 28 37 2d 31 31 29 34 2d 36 28 32 29 31 30 | H14N2O3/c1-5(9)3-8(7-11)4-6(2)10 |
40820 | 2f 68 35 2d 36 2c 39 2d 31 30 48 2c 33 2d 34 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 | /h5-6,9-10H,3-4H2,1-2H3..updated |
40840 | 5f 61 74 00 14 f6 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 12 f6 5e 46 50 01 00 00 | _at...^FP....created_at...^FP... |
40860 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 63 | .default_fingerprint_size......c |
40880 | 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 49 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..g+r.+@..I.warnings... |
408a0 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 7b 01 00 00 04 4d 50 32 44 00 70 01 00 00 02 | ....fingerprints.{....MP2D.p.... |
408c0 | 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 1b 00 00 00 31 3b 31 2d | 0.....8;1-1-1;2-1-1;..1.....1;1- |
408e0 | 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 00 1c 00 00 00 31 3b | 1-1;1-1-8;2-1-1;2-1-8;..2.....1; |
40900 | 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 39 3b 00 02 33 00 22 00 00 | 1-2-1;1-1-8;2-1-8;2-1-19;..3.".. |
40920 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d | .1;1-1-1;1-1-19;2-2-1;2-1-6;2-1- |
40940 | 38 3b 00 02 34 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 | 8;..4.....19;1-2-1;1-1-6;2-2-1;2 |
40960 | 2d 31 2d 39 3b 00 02 35 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d | -1-9;..5."...1;1-1-1;1-1-19;2-2- |
40980 | 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 36 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d | 1;2-1-6;2-1-8;..6.....1;1-2-1;1- |
409a0 | 31 2d 38 3b 32 2d 31 2d 31 39 3b 00 02 37 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 | 1-8;2-1-19;..7.....8;1-1-1;2-2-1 |
409c0 | 3b 00 02 38 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 39 | ;..8.....1;1-1-1;2-1-1;2-1-8;..9 |
409e0 | 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 31 30 00 10 | .....6;1-1-9;1-1-19;2-2-1;..10.. |
40a00 | 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 0f 00 00 00 38 3b 31 2d 31 | ...9;1-1-6;2-1-19;..11.....8;1-1 |
40a20 | 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 14 00 00 00 4f 43 43 28 43 4e 28 43 | -1;2-2-1;....smiles.....OCC(CN(C |
40a40 | 43 28 4f 29 43 29 4e 3d 4f 29 4f 00 02 69 6e 63 68 69 00 44 00 00 00 49 6e 43 68 49 3d 31 53 2f | C(O)C)N=O)O..inchi.D...InChI=1S/ |
40a60 | 43 36 48 31 34 4e 32 4f 34 2f 63 31 2d 35 28 31 30 29 32 2d 38 28 37 2d 31 32 29 33 2d 36 28 31 | C6H14N2O4/c1-5(10)2-8(7-12)3-6(1 |
40a80 | 31 29 34 2d 39 2f 68 35 2d 36 2c 39 2d 31 31 48 2c 32 2d 34 48 32 2c 31 48 33 00 09 75 70 64 61 | 1)4-9/h5-6,9-11H,2-4H2,1H3..upda |
40aa0 | 74 65 64 5f 61 74 00 1b f6 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 19 f6 5e 46 50 | ted_at...^FP....created_at...^FP |
40ac0 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
40ae0 | 00 00 89 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 4a 04 77 61 72 6e 69 6e 67 73 | ......._id.V..g+r.+@..J.warnings |
40b00 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a7 01 00 00 04 4d 50 32 44 00 9c 01 | .......fingerprints......MP2D... |
40b20 | 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 00 22 00 00 00 | ...0.....1;1-1-8;2-1-12;..1."... |
40b40 | 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 | 8;1-1-1;1-1-12;2-1-5;2-1-8;2-1-9 |
40b60 | 3b 00 02 32 00 1c 00 00 00 31 32 3b 31 2d 31 2d 35 3b 31 2d 32 2d 38 3b 31 2d 31 2d 39 3b 32 2d | ;..2.....12;1-1-5;1-2-8;1-1-9;2- |
40b80 | 34 2d 31 3b 00 02 33 00 16 00 00 00 39 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 35 3b 32 2d 32 2d 38 | 4-1;..3.....9;1-1-12;2-1-5;2-2-8 |
40ba0 | 3b 00 02 34 00 22 00 00 00 35 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 31 3b 32 2d | ;..4."...5;1-2-1;1-1-12;2-2-1;2- |
40bc0 | 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b | 2-8;2-1-9;..5."...1;1-1-1;1-1-5; |
40be0 | 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 36 00 1b 00 00 00 31 3b 31 2d 31 | 2-1-1;2-1-8;2-1-12;..6.....1;1-1 |
40c00 | 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 37 00 0f 00 00 00 38 3b 31 | -1;1-1-8;2-1-1;2-1-5;..7.....8;1 |
40c20 | 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 38 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 | -2-1;2-2-1;..8.....1;1-1-1;1-1-8 |
40c40 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 39 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | ;2-1-1;2-1-5;..9."...1;1-1-1;1-1 |
40c60 | 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 30 00 22 00 00 00 38 | -5;2-1-1;2-1-8;2-1-12;..10."...8 |
40c80 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b | ;1-1-1;1-1-12;2-1-5;2-1-8;2-1-9; |
40ca0 | 00 02 31 31 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 00 00 02 73 6d 69 6c | ..11.....1;1-1-8;2-1-12;....smil |
40cc0 | 65 73 00 14 00 00 00 43 4f 50 28 3d 4f 29 28 4e 31 43 43 4f 43 43 31 29 4f 43 00 02 69 6e 63 68 | es.....COP(=O)(N1CCOCC1)OC..inch |
40ce0 | 69 00 3e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 34 4e 4f 34 50 2f 63 31 2d 39 2d 31 32 | i.>...InChI=1S/C6H14NO4P/c1-9-12 |
40d00 | 28 38 2c 31 30 2d 32 29 37 2d 33 2d 35 2d 31 31 2d 36 2d 34 2d 37 2f 68 33 2d 36 48 32 2c 31 2d | (8,10-2)7-3-5-11-6-4-7/h3-6H2,1- |
40d20 | 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 22 f6 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 | 2H3..updated_at.".^FP....created |
40d40 | 5f 61 74 00 20 f6 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...^FP....default_fingerprint |
40d60 | 5f 73 69 7a 65 00 00 00 00 00 00 36 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 4b | _size......6...._id.V..g+r.+@..K |
40d80 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 5c 01 00 | .warnings.......fingerprints.\.. |
40da0 | 00 04 4d 50 32 44 00 51 01 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b | ..MP2D.Q....0.....1;1-1-5;2-1-1; |
40dc0 | 32 2d 31 2d 31 32 3b 00 02 31 00 1c 00 00 00 35 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d | 2-1-12;..1.....5;1-2-1;1-1-12;2- |
40de0 | 32 2d 35 3b 32 2d 31 2d 39 3b 00 02 32 00 16 00 00 00 31 32 3b 31 2d 33 2d 35 3b 31 2d 31 2d 39 | 2-5;2-1-9;..2.....12;1-3-5;1-1-9 |
40e00 | 3b 32 2d 36 2d 31 3b 00 02 33 00 10 00 00 00 39 3b 31 2d 31 2d 31 32 3b 32 2d 33 2d 35 3b 00 02 | ;2-6-1;..3.....9;1-1-12;2-3-5;.. |
40e20 | 34 00 1c 00 00 00 35 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 35 3b 32 2d 31 2d 39 | 4.....5;1-2-1;1-1-12;2-2-5;2-1-9 |
40e40 | 3b 00 02 35 00 16 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 32 3b 00 02 | ;..5.....1;1-1-5;2-1-1;2-1-12;.. |
40e60 | 36 00 16 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 32 3b 00 02 37 00 1c | 6.....1;1-1-5;2-1-1;2-1-12;..7.. |
40e80 | 00 00 00 35 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 35 3b 32 2d 31 2d 39 3b 00 02 | ...5;1-2-1;1-1-12;2-2-5;2-1-9;.. |
40ea0 | 38 00 16 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 32 3b 00 02 39 00 16 | 8.....1;1-1-5;2-1-1;2-1-12;..9.. |
40ec0 | 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 32 3b 00 02 31 30 00 16 00 00 | ...1;1-1-5;2-1-1;2-1-12;..10.... |
40ee0 | 00 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 32 3b 00 00 00 02 73 6d 69 6c 65 73 | .1;1-1-5;2-1-1;2-1-12;....smiles |
40f00 | 00 17 00 00 00 43 4e 28 50 28 3d 4f 29 28 4e 28 43 29 43 29 4e 28 43 29 43 29 43 00 02 69 6e 63 | .....CN(P(=O)(N(C)C)N(C)C)C..inc |
40f20 | 68 69 00 33 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 38 4e 33 4f 50 2f 63 31 2d 37 28 32 | hi.3...InChI=1S/C6H18N3OP/c1-7(2 |
40f40 | 29 31 31 28 31 30 2c 38 28 33 29 34 29 39 28 35 29 36 2f 68 31 2d 36 48 33 00 09 75 70 64 61 74 | )11(10,8(3)4)9(5)6/h1-6H3..updat |
40f60 | 65 64 5f 61 74 00 28 f6 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 27 f6 5e 46 50 01 | ed_at.(.^FP....created_at.'.^FP. |
40f80 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
40fa0 | 00 04 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 4c 04 77 61 72 6e 69 6e 67 73 00 | ......_id.V..g+r.+@..L.warnings. |
40fc0 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 2b 01 00 00 04 4d 50 32 44 00 20 01 00 | ......fingerprints.+....MP2D.... |
40fe0 | 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 | ..0.....15;1-1-3;2-2-3;..1.....3 |
41000 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d | ;1-2-3;1-1-15;2-2-3;..2.....3;1- |
41020 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-2-3;2-2-15;..3.....3;1-2-3 |
41040 | 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 10 00 00 00 31 35 3b 31 | ;1-1-15;2-2-3;2-1-8;..4.....15;1 |
41060 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 | -1-3;2-2-3;..5.....3;1-2-3;1-1-8 |
41080 | 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | ;2-2-3;2-2-15;..6.....3;1-2-3;1- |
410a0 | 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 | 1-15;2-2-3;2-1-8;..7.....3;1-2-3 |
410c0 | 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 38 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 | ;2-2-3;2-2-15;..8.....15;1-1-3;2 |
410e0 | 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 | -2-3;..9.....8;1-1-3;2-2-3;....s |
41100 | 6d 69 6c 65 73 00 16 00 00 00 43 6c 63 31 63 63 28 43 6c 29 63 28 63 28 63 31 29 43 6c 29 4f 00 | miles.....Clc1cc(Cl)c(c(c1)Cl)O. |
41120 | 02 69 6e 63 68 69 00 33 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 33 43 6c 33 4f 2f 63 37 2d | .inchi.3...InChI=1S/C6H3Cl3O/c7- |
41140 | 33 2d 31 2d 34 28 38 29 36 28 31 30 29 35 28 39 29 32 2d 33 2f 68 31 2d 32 2c 31 30 48 00 09 75 | 3-1-4(8)6(10)5(9)2-3/h1-2,10H..u |
41160 | 70 64 61 74 65 64 5f 61 74 00 2f f6 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 2d f6 | pdated_at./.^FP....created_at.-. |
41180 | 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | ^FP....default_fingerprint_size. |
411a0 | 00 00 00 00 00 f9 02 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 4d 04 77 61 72 6e 69 | .........._id.V..g+r.+@..M.warni |
411c0 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 07 02 00 00 04 4d 50 32 44 | ngs.......fingerprints......MP2D |
411e0 | 00 fc 01 00 00 02 30 00 16 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 | ......0.....8;1-1-3;2-1-9;2-1-11 |
41200 | 3b 00 02 31 00 23 00 00 00 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 31 3b 32 2d | ;..1.#...3;1-1-8;1-1-9;1-1-11;2- |
41220 | 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 00 23 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d | 1-3;2-1-11;..2.#...11;1-1-3;1-1- |
41240 | 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 33 00 1d 00 00 00 31 31 3b | 11;2-1-3;2-1-8;2-1-9;..3.....11; |
41260 | 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 34 00 29 00 00 | 1-1-3;1-1-11;2-2-3;2-1-9;..4.).. |
41280 | 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d | .3;1-1-3;1-1-9;1-1-11;2-2-3;2-1- |
412a0 | 39 3b 32 2d 31 2d 31 31 3b 00 02 35 00 1c 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 | 9;2-1-11;..5.....9;1-2-3;2-1-3;2 |
412c0 | 2d 31 2d 38 3b 32 2d 32 2d 31 31 3b 00 02 36 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | -1-8;2-2-11;..6."...3;1-2-3;1-1- |
412e0 | 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 37 00 15 00 00 00 33 3b 31 | 9;2-2-3;2-1-9;2-1-11;..7.....3;1 |
41300 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 38 00 1c 00 00 00 33 3b 31 2d 32 2d 33 | -2-3;2-2-3;2-1-9;..8.....3;1-2-3 |
41320 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 39 00 22 00 00 00 33 3b 31 2d | ;2-1-3;2-1-9;2-1-19;..9."...3;1- |
41340 | 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 | 1-3;1-1-9;1-1-19;2-2-3;2-2-9;..1 |
41360 | 30 00 16 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 | 0.....9;1-2-3;2-3-3;2-1-19;..11. |
41380 | 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 | ....19;1-1-3;1-2-9;2-1-3;2-1-9;. |
413a0 | 02 31 32 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 | .12.....9;1-1-19;2-1-3;2-1-9;..1 |
413c0 | 33 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 02 73 | 3.....9;1-1-19;2-1-3;2-1-9;....s |
413e0 | 6d 69 6c 65 73 00 1b 00 00 00 4f 63 31 6e 6e 63 28 6f 31 29 63 31 63 63 63 28 6f 31 29 4e 28 3d | miles.....Oc1nnc(o1)c1ccc(o1)N(= |
41400 | 4f 29 3d 4f 00 02 69 6e 63 68 69 00 47 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 33 4e 33 4f | O)=O..inchi.G...InChI=1S/C6H3N3O |
41420 | 35 2f 63 31 30 2d 36 2d 38 2d 37 2d 35 28 31 34 2d 36 29 33 2d 31 2d 32 2d 34 28 31 33 2d 33 29 | 5/c10-6-8-7-5(14-6)3-1-2-4(13-3) |
41440 | 39 28 31 31 29 31 32 2f 68 31 2d 32 48 2c 28 48 2c 38 2c 31 30 29 00 09 75 70 64 61 74 65 64 5f | 9(11)12/h1-2H,(H,8,10)..updated_ |
41460 | 61 74 00 36 f6 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 35 f6 5e 46 50 01 00 00 10 | at.6.^FP....created_at.5.^FP.... |
41480 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 3a 03 | default_fingerprint_size......:. |
414a0 | 00 00 07 5f 69 64 00 56 16 1c 67 2b 72 ed 2b 40 00 01 4e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V..g+r.+@..N.warnings.... |
414c0 | 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 43 02 00 00 04 4d 50 32 44 00 38 02 00 00 02 30 | ...fingerprints.C....MP2D.8....0 |
414e0 | 00 17 00 00 00 36 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 31 00 2b | .....6;1-1-3;2-1-11;2-1-18;..1.+ |
41500 | 00 00 00 33 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 38 3b 32 2d 31 2d 33 3b 32 | ...3;1-1-6;1-1-11;1-1-18;2-1-3;2 |
41520 | 2d 31 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 02 32 00 2b 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d | -1-11;2-1-13;..2.+...11;1-1-3;1- |
41540 | 31 2d 31 31 3b 31 2d 31 2d 31 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 38 3b 00 | 1-11;1-1-13;2-1-3;2-1-6;2-1-18;. |
41560 | 02 33 00 18 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 | .3.....13;1-1-11;2-1-3;2-1-11;.. |
41580 | 34 00 25 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 4.%...11;1-1-3;1-1-11;2-2-3;2-1- |
415a0 | 31 33 3b 32 2d 31 2d 31 38 3b 00 02 35 00 2a 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 | 13;2-1-18;..5.*...3;1-1-3;1-1-11 |
415c0 | 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 36 00 1d | ;1-1-18;2-2-3;2-1-9;2-1-11;..6.. |
415e0 | 00 00 00 31 38 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 32 2d 31 31 3b 00 | ...18;1-2-3;2-1-3;2-1-6;2-2-11;. |
41600 | 02 37 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | .7.#...3;1-2-3;1-1-9;2-2-3;2-1-1 |
41620 | 31 3b 32 2d 31 2d 31 38 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 1;2-1-18;..8.....3;1-2-3;2-2-3;2 |
41640 | 2d 31 2d 39 3b 00 02 39 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 | -1-9;..9.....3;1-2-3;2-1-3;2-1-9 |
41660 | 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 22 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 | ;2-1-19;..10."...3;1-1-3;1-1-9;1 |
41680 | 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 31 00 16 00 00 00 39 3b 31 2d 32 | -1-19;2-2-3;2-2-9;..11.....9;1-2 |
416a0 | 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 32 00 1c 00 00 00 31 39 3b 31 2d 31 2d | -3;2-3-3;2-1-19;..12.....19;1-1- |
416c0 | 33 3b 31 2d 32 2d 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 33 00 16 00 00 00 39 3b 31 | 3;1-2-9;2-1-3;2-1-9;..13.....9;1 |
416e0 | 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 34 00 16 00 00 00 39 3b 31 2d 31 | -1-19;2-1-3;2-1-9;..14.....9;1-1 |
41700 | 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 1f 00 00 00 4e | -19;2-1-3;2-1-9;....smiles.....N |
41720 | 3d 63 31 5b 6e 48 5d 6e 63 28 73 31 29 63 31 63 63 63 28 6f 31 29 4e 28 3d 4f 29 3d 4f 00 02 69 | =c1[nH]nc(s1)c1ccc(o1)N(=O)=O..i |
41740 | 6e 63 68 69 00 48 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 34 4e 34 4f 33 53 2f 63 37 2d 36 | nchi.H...InChI=1S/C6H4N4O3S/c7-6 |
41760 | 2d 39 2d 38 2d 35 28 31 34 2d 36 29 33 2d 31 2d 32 2d 34 28 31 33 2d 33 29 31 30 28 31 31 29 31 | -9-8-5(14-6)3-1-2-4(13-3)10(11)1 |
41780 | 32 2f 68 31 2d 32 48 2c 28 48 32 2c 37 2c 39 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 3e f6 5e | 2/h1-2H,(H2,7,9)..updated_at.>.^ |
417a0 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 3c f6 5e 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at.<.^FP....defaul |
417c0 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 32 03 00 00 07 5f 69 64 | t_fingerprint_size......2...._id |
417e0 | 00 56 16 1c 68 2b 72 ed 2b 40 00 01 4f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..h+r.+@..O.warnings.......fin |
41800 | 67 65 72 70 72 69 6e 74 73 00 3c 02 00 00 04 4d 50 32 44 00 31 02 00 00 02 30 00 16 00 00 00 36 | gerprints.<....MP2D.1....0.....6 |
41820 | 3b 31 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 31 00 2a 00 00 00 33 3b 31 2d | ;1-1-3;2-1-9;2-1-11;..1.*...3;1- |
41840 | 31 2d 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d | 1-6;1-1-9;1-1-11;2-1-3;2-1-11;2- |
41860 | 31 2d 31 33 3b 00 02 32 00 2a 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 | 1-13;..2.*...11;1-1-3;1-1-11;1-1 |
41880 | 2d 31 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 33 00 18 00 00 00 31 33 | -13;2-1-3;2-1-6;2-1-9;..3.....13 |
418a0 | 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 34 00 24 00 00 00 31 31 3b | ;1-1-11;2-1-3;2-1-11;..4.$...11; |
418c0 | 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 33 3b | 1-1-3;1-1-11;2-2-3;2-1-9;2-1-13; |
418e0 | 00 02 35 00 29 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 31 3b 32 2d 32 | ..5.)...3;1-1-3;1-1-9;1-1-11;2-2 |
41900 | 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 36 00 1c 00 00 00 39 3b 31 2d 32 2d 33 3b | -3;2-1-9;2-1-11;..6.....9;1-2-3; |
41920 | 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 32 2d 31 31 3b 00 02 37 00 22 00 00 00 33 3b 31 2d 32 | 2-1-3;2-1-6;2-2-11;..7."...3;1-2 |
41940 | 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 38 00 | -3;1-1-9;2-2-3;2-1-9;2-1-11;..8. |
41960 | 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 39 00 1c 00 00 00 | ....3;1-2-3;2-2-3;2-1-9;..9..... |
41980 | 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 | 3;1-2-3;2-1-3;2-1-9;2-1-19;..10. |
419a0 | 22 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 | "...3;1-1-3;1-1-9;1-1-19;2-2-3;2 |
419c0 | 2d 32 2d 39 3b 00 02 31 31 00 16 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d | -2-9;..11.....9;1-2-3;2-3-3;2-1- |
419e0 | 31 39 3b 00 02 31 32 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 31 2d 33 | 19;..12.....19;1-1-3;1-2-9;2-1-3 |
41a00 | 3b 32 2d 31 2d 39 3b 00 02 31 33 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 | ;2-1-9;..13.....9;1-1-19;2-1-3;2 |
41a20 | 2d 31 2d 39 3b 00 02 31 34 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 | -1-9;..14.....9;1-1-19;2-1-3;2-1 |
41a40 | 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 1f 00 00 00 4e 3d 63 31 5b 6e 48 5d 6e 63 28 6f 31 29 | -9;....smiles.....N=c1[nH]nc(o1) |
41a60 | 63 31 63 63 63 28 6f 31 29 4e 28 3d 4f 29 3d 4f 00 02 69 6e 63 68 69 00 47 00 00 00 49 6e 43 68 | c1ccc(o1)N(=O)=O..inchi.G...InCh |
41a80 | 49 3d 31 53 2f 43 36 48 34 4e 34 4f 34 2f 63 37 2d 36 2d 39 2d 38 2d 35 28 31 34 2d 36 29 33 2d | I=1S/C6H4N4O4/c7-6-9-8-5(14-6)3- |
41aa0 | 31 2d 32 2d 34 28 31 33 2d 33 29 31 30 28 31 31 29 31 32 2f 68 31 2d 32 48 2c 28 48 32 2c 37 2c | 1-2-4(13-3)10(11)12/h1-2H,(H2,7, |
41ac0 | 39 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 45 f6 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | 9)..updated_at.E.^FP....created_ |
41ae0 | 61 74 00 43 f6 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at.C.^FP....default_fingerprint_ |
41b00 | 73 69 7a 65 00 00 00 00 00 00 ca 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 50 04 | size..........._id.V..h+r.+@..P. |
41b20 | 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 fe 00 00 00 | warnings.......fingerprints..... |
41b40 | 04 4d 50 32 44 00 f3 00 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b | .MP2D......0.....15;1-1-1;2-1-3; |
41b60 | 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 32 | ..1.....1;1-1-3;1-1-15;2-2-3;..2 |
41b80 | 00 23 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b | .#...3;1-1-1;1-2-3;2-1-3;2-1-11; |
41ba0 | 32 2d 31 2d 31 35 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 | 2-1-15;..3.....3;1-2-3;2-1-1;2-2 |
41bc0 | 2d 33 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b | -3;..4.....3;1-2-3;2-1-3;2-1-11; |
41be0 | 00 02 35 00 16 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 36 | ..5.....3;1-1-3;1-1-11;2-2-3;..6 |
41c00 | 00 10 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d | .....11;1-2-3;2-2-3;..7.....3;1- |
41c20 | 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 | 1-3;1-1-11;2-1-1;2-2-3;....smile |
41c40 | 73 00 0c 00 00 00 43 6c 43 63 31 63 63 63 6e 63 31 00 02 69 6e 63 68 69 00 30 00 00 00 49 6e 43 | s.....ClCc1cccnc1..inchi.0...InC |
41c60 | 68 49 3d 31 53 2f 43 36 48 36 43 6c 4e 2f 63 37 2d 34 2d 36 2d 32 2d 31 2d 33 2d 38 2d 35 2d 36 | hI=1S/C6H6ClN/c7-4-6-2-1-3-8-5-6 |
41c80 | 2f 68 31 2d 33 2c 35 48 2c 34 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 4b f6 5e 46 50 01 00 | /h1-3,5H,4H2..updated_at.K.^FP.. |
41ca0 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 4a f6 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at.J.^FP....default_fi |
41cc0 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 b8 01 00 00 07 5f 69 64 00 56 16 1c | ngerprint_size..........._id.V.. |
41ce0 | 68 2b 72 ed 2b 40 00 01 51 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | h+r.+@..Q.warnings.......fingerp |
41d00 | 72 69 6e 74 73 00 ec 00 00 00 04 4d 50 32 44 00 e1 00 00 00 02 30 00 10 00 00 00 31 39 3b 31 2d | rints......MP2D......0.....19;1- |
41d20 | 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 | 1-3;2-2-3;..1.....3;1-2-3;1-1-19 |
41d40 | 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | ;2-2-3;..2.....3;1-2-3;2-2-3;2-1 |
41d60 | 2d 31 39 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 | -19;..3.....3;1-2-3;2-2-3;2-1-15 |
41d80 | 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 | ;..4.....3;1-2-3;1-1-15;2-2-3;.. |
41da0 | 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 36 00 16 | 5.....3;1-2-3;2-2-3;2-1-15;..6.. |
41dc0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 10 00 00 00 | ...3;1-2-3;2-2-3;2-1-19;..7..... |
41de0 | 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 0e 00 00 00 4e 63 | 15;1-1-3;2-2-3;....smiles.....Nc |
41e00 | 31 63 63 63 28 63 63 31 29 43 6c 00 02 69 6e 63 68 69 00 2e 00 00 00 49 6e 43 68 49 3d 31 53 2f | 1ccc(cc1)Cl..inchi.....InChI=1S/ |
41e20 | 43 36 48 36 43 6c 4e 2f 63 37 2d 35 2d 31 2d 33 2d 36 28 38 29 34 2d 32 2d 35 2f 68 31 2d 34 48 | C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H |
41e40 | 2c 38 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 52 f6 5e 46 50 01 00 00 09 63 72 65 61 74 65 | ,8H2..updated_at.R.^FP....create |
41e60 | 64 5f 61 74 00 50 f6 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.P.^FP....default_fingerprin |
41e80 | 74 5f 73 69 7a 65 00 00 00 00 00 00 01 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 | t_size..........._id.V..h+r.+@.. |
41ea0 | 52 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 2d 01 | R.warnings.......fingerprints.-. |
41ec0 | 00 00 04 4d 50 32 44 00 22 01 00 00 02 30 00 10 00 00 00 38 3b 31 2d 31 2d 33 31 3b 32 2d 31 2d | ...MP2D."....0.....8;1-1-31;2-1- |
41ee0 | 33 3b 00 02 31 00 16 00 00 00 33 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 00 | 3;..1.....31;1-1-3;1-1-8;2-2-3;. |
41f00 | 02 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 33 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d | .2.....3;1-2-3;1-1-31;2-2-3;2-1- |
41f20 | 38 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 31 3b 00 | 8;..3.....3;1-2-3;2-2-3;2-1-31;. |
41f40 | 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 35 00 1b | .4.....3;1-2-3;2-2-3;2-1-6;..5.. |
41f60 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 36 | ...3;1-2-3;1-1-6;2-2-3;2-1-9;..6 |
41f80 | 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 37 00 16 00 00 | .....3;1-2-3;2-2-3;2-1-6;..7.... |
41fa0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 31 3b 00 02 38 00 15 00 00 00 36 3b | .3;1-2-3;2-2-3;2-1-31;..8.....6; |
41fc0 | 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 39 3b 31 2d 31 2d | 1-1-3;1-1-9;2-2-3;..9.....9;1-1- |
41fe0 | 36 3b 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 10 00 00 00 4f 4e 63 31 63 63 63 28 63 | 6;2-1-3;....smiles.....ONc1ccc(c |
42000 | 63 31 29 4e 3d 4f 00 02 69 6e 63 68 69 00 34 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 36 4e | c1)N=O..inchi.4...InChI=1S/C6H6N |
42020 | 32 4f 32 2f 63 39 2d 37 2d 35 2d 31 2d 32 2d 36 28 38 2d 31 30 29 34 2d 33 2d 35 2f 68 31 2d 34 | 2O2/c9-7-5-1-2-6(8-10)4-3-5/h1-4 |
42040 | 2c 37 2c 39 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 58 f6 5e 46 50 01 00 00 09 63 72 65 61 74 | ,7,9H..updated_at.X.^FP....creat |
42060 | 65 64 5f 61 74 00 57 f6 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at.W.^FP....default_fingerpri |
42080 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 33 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 | nt_size......3...._id.V..h+r.+@. |
420a0 | 01 53 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 54 | .S.warnings.......fingerprints.T |
420c0 | 01 00 00 04 4d 50 32 44 00 49 01 00 00 02 30 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 | ....MP2D.I....0.....19;1-1-3;2-2 |
420e0 | 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b | -3;..1.....3;1-2-3;1-1-19;2-2-3; |
42100 | 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 | ..2.....3;1-2-3;2-2-3;2-1-19;..3 |
42120 | 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 1c 00 00 | .....3;1-2-3;2-2-3;2-1-8;..4.... |
42140 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 35 00 | .3;1-2-3;1-1-8;2-2-3;2-1-19;..5. |
42160 | 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 | "...3;1-2-3;1-1-19;2-2-3;2-1-8;2 |
42180 | 2d 32 2d 39 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 | -2-9;..6.....3;1-2-3;2-2-3;2-2-1 |
421a0 | 39 3b 00 02 37 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 | 9;..7.....19;1-1-3;1-2-9;2-2-3;. |
421c0 | 02 38 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 39 00 | .8.....9;1-1-19;2-1-3;2-1-9;..9. |
421e0 | 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 30 00 0f 00 | ....9;1-1-19;2-1-3;2-1-9;..10... |
42200 | 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 16 00 00 00 4e | ..8;1-1-3;2-2-3;....smiles.....N |
42220 | 63 31 63 63 63 28 63 28 63 31 29 4e 28 3d 4f 29 3d 4f 29 4f 00 02 69 6e 63 68 69 00 39 00 00 00 | c1ccc(c(c1)N(=O)=O)O..inchi.9... |
42240 | 49 6e 43 68 49 3d 31 53 2f 43 36 48 36 4e 32 4f 33 2f 63 37 2d 34 2d 31 2d 32 2d 36 28 39 29 35 | InChI=1S/C6H6N2O3/c7-4-1-2-6(9)5 |
42260 | 28 33 2d 34 29 38 28 31 30 29 31 31 2f 68 31 2d 33 2c 39 48 2c 37 48 32 00 09 75 70 64 61 74 65 | (3-4)8(10)11/h1-3,9H,7H2..update |
42280 | 64 5f 61 74 00 5f f6 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 5d f6 5e 46 50 01 00 | d_at._.^FP....created_at.].^FP.. |
422a0 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 | ..default_fingerprint_size...... |
422c0 | 3a 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 54 04 77 61 72 6e 69 6e 67 73 00 05 | :...._id.V..h+r.+@..T.warnings.. |
422e0 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 5b 01 00 00 04 4d 50 32 44 00 50 01 00 00 | .....fingerprints.[....MP2D.P... |
42300 | 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 00 | .0.....9;1-1-19;2-1-3;2-1-9;..1. |
42320 | 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 | ....19;1-1-3;1-2-9;2-2-3;..2.... |
42340 | 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 1c 00 00 00 33 3b | .9;1-1-19;2-1-3;2-1-9;..3.....3; |
42360 | 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 34 00 16 00 00 | 1-2-3;1-1-19;2-2-3;2-2-9;..4.... |
42380 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 35 00 16 00 00 00 33 3b | .3;1-2-3;2-2-3;2-1-19;..5.....3; |
423a0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 | 1-2-3;2-2-3;2-1-19;..6.....3;1-2 |
423c0 | 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 1c 00 00 00 33 3b | -3;1-1-19;2-2-3;2-1-8;..7.....3; |
423e0 | 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 38 00 1c 00 00 | 1-2-3;1-1-8;2-2-3;2-1-19;..8.... |
42400 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 39 3b 00 02 39 00 | .3;1-2-3;2-2-3;2-1-8;2-1-19;..9. |
42420 | 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 10 00 00 00 31 39 3b 31 2d | ....8;1-1-3;2-2-3;..10.....19;1- |
42440 | 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 16 00 00 00 4f 3d 4e 28 3d 4f 29 | 1-3;2-2-3;....smiles.....O=N(=O) |
42460 | 63 31 63 63 63 28 63 28 63 31 29 4f 29 4e 00 02 69 6e 63 68 69 00 39 00 00 00 49 6e 43 68 49 3d | c1ccc(c(c1)O)N..inchi.9...InChI= |
42480 | 31 53 2f 43 36 48 36 4e 32 4f 33 2f 63 37 2d 35 2d 32 2d 31 2d 34 28 38 28 31 30 29 31 31 29 33 | 1S/C6H6N2O3/c7-5-2-1-4(8(10)11)3 |
424a0 | 2d 36 28 35 29 39 2f 68 31 2d 33 2c 39 48 2c 37 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 66 | -6(5)9/h1-3,9H,7H2..updated_at.f |
424c0 | f6 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 64 f6 5e 46 50 01 00 00 10 64 65 66 61 | .^FP....created_at.d.^FP....defa |
424e0 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 33 02 00 00 07 5f | ult_fingerprint_size......3...._ |
42500 | 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 55 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..h+r.+@..U.warnings.......f |
42520 | 69 6e 67 65 72 70 72 69 6e 74 73 00 54 01 00 00 04 4d 50 32 44 00 49 01 00 00 02 30 00 16 00 00 | ingerprints.T....MP2D.I....0.... |
42540 | 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 00 16 00 00 00 31 39 | .9;1-1-19;2-1-3;2-1-9;..1.....19 |
42560 | 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 39 3b 31 2d 31 | ;1-1-3;1-2-9;2-2-3;..2.....9;1-1 |
42580 | 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b | -19;2-1-3;2-1-9;..3.....3;1-2-3; |
425a0 | 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 32 | 1-1-19;2-2-3;2-2-9;..4.....3;1-2 |
425c0 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-2-3;2-1-19;..5.....3;1-2-3; |
425e0 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 2-2-3;2-1-8;..6.....3;1-2-3;1-1- |
42600 | 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 8;2-2-3;2-1-19;..7.....3;1-2-3;1 |
42620 | 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d | -1-19;2-2-3;2-1-8;..8.....3;1-2- |
42640 | 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 39 3b 00 02 39 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b | 3;2-2-3;2-2-19;..9.....19;1-1-3; |
42660 | 32 2d 32 2d 33 3b 00 02 31 30 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 | 2-2-3;..10.....8;1-1-3;2-2-3;... |
42680 | 02 73 6d 69 6c 65 73 00 16 00 00 00 4f 3d 4e 28 3d 4f 29 63 31 63 63 63 28 63 28 63 31 29 4e 29 | .smiles.....O=N(=O)c1ccc(c(c1)N) |
426a0 | 4f 00 02 69 6e 63 68 69 00 39 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 36 4e 32 4f 33 2f 63 | O..inchi.9...InChI=1S/C6H6N2O3/c |
426c0 | 37 2d 35 2d 33 2d 34 28 38 28 31 30 29 31 31 29 31 2d 32 2d 36 28 35 29 39 2f 68 31 2d 33 2c 39 | 7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9 |
426e0 | 48 2c 37 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 6c f6 5e 46 50 01 00 00 09 63 72 65 61 74 | H,7H2..updated_at.l.^FP....creat |
42700 | 65 64 5f 61 74 00 6b f6 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at.k.^FP....default_fingerpri |
42720 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 ef 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 | nt_size..........._id.V..h+r.+@. |
42740 | 01 56 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 fc | .V.warnings.......fingerprints.. |
42760 | 01 00 00 04 4d 50 32 44 00 f1 01 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d | ....MP2D......0.....9;1-1-2;2-1- |
42780 | 36 3b 32 2d 31 2d 31 39 3b 00 02 31 00 1c 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 31 | 6;2-1-19;..1.....2;1-1-6;1-1-9;1 |
427a0 | 2d 31 2d 31 39 3b 32 2d 31 2d 36 3b 00 02 32 00 16 00 00 00 36 3b 31 2d 31 2d 32 3b 32 2d 31 2d | -1-19;2-1-6;..2.....6;1-1-2;2-1- |
427c0 | 39 3b 32 2d 31 2d 31 39 3b 00 02 33 00 22 00 00 00 31 39 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b | 9;2-1-19;..3."...19;1-1-2;1-1-6; |
427e0 | 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 34 00 1c 00 00 00 36 3b 31 2d 31 2d | 2-1-2;2-1-6;2-1-9;..4.....6;1-1- |
42800 | 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 35 00 22 00 00 00 32 3b 31 | 2;1-1-19;2-1-2;2-1-3;..5."...2;1 |
42820 | 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 | -1-3;1-1-6;2-1-3;2-1-9;2-1-19;.. |
42840 | 36 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b | 6.!...3;1-1-2;1-1-3;1-1-9;2-2-3; |
42860 | 32 2d 31 2d 36 3b 00 02 37 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 31 2d | 2-1-6;..7.....3;1-2-3;2-1-2;2-1- |
42880 | 33 3b 32 2d 31 2d 39 3b 00 02 38 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d | 3;2-1-9;..8.....3;1-2-3;2-1-3;2- |
428a0 | 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 39 00 22 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 | 1-9;2-1-19;..9."...3;1-1-3;1-1-9 |
428c0 | 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 30 00 1c 00 00 00 39 3b 31 | ;1-1-19;2-2-3;2-2-9;..10.....9;1 |
428e0 | 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 1c 00 00 | -2-3;2-1-2;2-2-3;2-1-19;..11.... |
42900 | 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 32 | .19;1-1-3;1-2-9;2-1-3;2-1-9;..12 |
42920 | 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 33 00 16 | .....9;1-1-19;2-1-3;2-1-9;..13.. |
42940 | 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c | ...9;1-1-19;2-1-3;2-1-9;....smil |
42960 | 65 73 00 1b 00 00 00 4f 43 28 3d 4e 29 4e 4e 3d 43 63 31 63 63 63 28 6f 31 29 4e 28 3d 4f 29 3d | es.....OC(=N)NN=Cc1ccc(o1)N(=O)= |
42980 | 4f 00 02 69 6e 63 68 69 00 48 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 36 4e 34 4f 34 2f 63 | O..inchi.H...InChI=1S/C6H6N4O4/c |
429a0 | 37 2d 36 28 31 31 29 39 2d 38 2d 33 2d 34 2d 31 2d 32 2d 35 28 31 34 2d 34 29 31 30 28 31 32 29 | 7-6(11)9-8-3-4-1-2-5(14-4)10(12) |
429c0 | 31 33 2f 68 31 2d 33 48 2c 28 48 33 2c 37 2c 39 2c 31 31 29 00 09 75 70 64 61 74 65 64 5f 61 74 | 13/h1-3H,(H3,7,9,11)..updated_at |
429e0 | 00 73 f6 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 72 f6 5e 46 50 01 00 00 10 64 65 | .s.^FP....created_at.r.^FP....de |
42a00 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 ae 01 00 00 | fault_fingerprint_size.......... |
42a20 | 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 57 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V..h+r.+@..W.warnings...... |
42a40 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 e4 00 00 00 04 4d 50 32 44 00 d9 00 00 00 02 30 00 0f | .fingerprints......MP2D......0.. |
42a60 | 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 | ...8;1-1-3;2-2-3;..1.....3;1-2-3 |
42a80 | 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 00 02 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | ;1-1-8;2-2-3;..2.....3;1-2-3;2-2 |
42aa0 | 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | -3;2-1-8;..3.....3;1-2-3;2-2-3;2 |
42ac0 | 2d 31 2d 38 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 | -1-8;..4.....3;1-2-3;1-1-8;2-2-3 |
42ae0 | 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 | ;..5.....3;1-2-3;2-2-3;2-1-8;..6 |
42b00 | 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 0f 00 00 | .....3;1-2-3;2-2-3;2-1-8;..7.... |
42b20 | 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 0d 00 00 00 4f 63 | .8;1-1-3;2-2-3;....smiles.....Oc |
42b40 | 31 63 63 63 28 63 63 31 29 4f 00 02 69 6e 63 68 69 00 2d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | 1ccc(cc1)O..inchi.-...InChI=1S/C |
42b60 | 36 48 36 4f 32 2f 63 37 2d 35 2d 31 2d 32 2d 36 28 38 29 34 2d 33 2d 35 2f 68 31 2d 34 2c 37 2d | 6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7- |
42b80 | 38 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 7a f6 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | 8H..updated_at.z.^FP....created_ |
42ba0 | 61 74 00 78 f6 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at.x.^FP....default_fingerprint_ |
42bc0 | 73 69 7a 65 00 00 00 00 00 00 ac 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 58 04 | size..........._id.V..h+r.+@..X. |
42be0 | 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 e4 00 00 00 | warnings.......fingerprints..... |
42c00 | 04 4d 50 32 44 00 d9 00 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | .MP2D......0.....8;1-1-3;2-2-3;. |
42c20 | 02 31 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 | .1.....3;1-2-3;1-1-8;2-2-3;2-1-8 |
42c40 | 3b 00 02 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 | ;..2.....3;1-2-3;2-2-3;2-1-8;..3 |
42c60 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 32 | .....3;1-2-3;2-2-3;..4.....3;1-2 |
42c80 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | -3;2-2-3;..5.....3;1-2-3;2-2-3;2 |
42ca0 | 2d 31 2d 38 3b 00 02 36 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 | -1-8;..6.....3;1-2-3;1-1-8;2-2-3 |
42cc0 | 3b 32 2d 31 2d 38 3b 00 02 37 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 | ;2-1-8;..7.....8;1-1-3;2-2-3;... |
42ce0 | 02 73 6d 69 6c 65 73 00 0b 00 00 00 4f 63 31 63 63 63 63 63 31 4f 00 02 69 6e 63 68 69 00 2d 00 | .smiles.....Oc1ccccc1O..inchi.-. |
42d00 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 36 4f 32 2f 63 37 2d 35 2d 33 2d 31 2d 32 2d 34 2d 36 | ..InChI=1S/C6H6O2/c7-5-3-1-2-4-6 |
42d20 | 28 35 29 38 2f 68 31 2d 34 2c 37 2d 38 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 81 f6 5e 46 50 | (5)8/h1-4,7-8H..updated_at...^FP |
42d40 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 7f f6 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at...^FP....default_ |
42d60 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 ec 01 00 00 07 5f 69 64 00 56 | fingerprint_size..........._id.V |
42d80 | 16 1c 68 2b 72 ed 2b 40 00 01 59 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..h+r.+@..Y.warnings.......finge |
42da0 | 72 70 72 69 6e 74 73 00 18 01 00 00 04 4d 50 32 44 00 0d 01 00 00 02 30 00 10 00 00 00 31 35 3b | rprints......MP2D......0.....15; |
42dc0 | 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 1-1-3;2-2-3;..1.....3;1-2-3;1-1- |
42de0 | 31 35 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 15;2-2-3;..2.....3;1-2-3;2-2-3;2 |
42e00 | 2d 31 2d 31 35 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | -1-15;..3.....3;1-2-3;2-2-3;2-1- |
42e20 | 31 39 3b 00 02 34 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b | 19;..4.....3;1-2-3;1-1-19;2-2-3; |
42e40 | 32 2d 31 2d 31 39 3b 00 02 35 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d | 2-1-19;..5.....3;1-2-3;1-1-19;2- |
42e60 | 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 36 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 2-3;2-1-19;..6.....3;1-2-3;2-2-3 |
42e80 | 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 31 39 3b 00 02 37 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b | ;2-1-15;2-1-19;..7.....19;1-1-3; |
42ea0 | 32 2d 32 2d 33 3b 00 02 38 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 | 2-2-3;..8.....19;1-1-3;2-2-3;... |
42ec0 | 02 73 6d 69 6c 65 73 00 11 00 00 00 43 6c 63 31 63 63 63 28 63 28 63 31 29 4e 29 4e 00 02 69 6e | .smiles.....Clc1ccc(c(c1)N)N..in |
42ee0 | 63 68 69 00 33 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 37 43 6c 4e 32 2f 63 37 2d 34 2d 31 | chi.3...InChI=1S/C6H7ClN2/c7-4-1 |
42f00 | 2d 32 2d 35 28 38 29 36 28 39 29 33 2d 34 2f 68 31 2d 33 48 2c 38 2d 39 48 32 00 09 75 70 64 61 | -2-5(8)6(9)3-4/h1-3H,8-9H2..upda |
42f20 | 74 65 64 5f 61 74 00 87 f6 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 86 f6 5e 46 50 | ted_at...^FP....created_at...^FP |
42f40 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
42f60 | 00 00 e5 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 5a 04 77 61 72 6e 69 6e 67 73 | ......._id.V..h+r.+@..Z.warnings |
42f80 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 11 01 00 00 04 4d 50 32 44 00 06 01 | .......fingerprints......MP2D... |
42fa0 | 00 00 02 30 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 | ...0.....19;1-1-3;2-2-3;..1..... |
42fc0 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 | 3;1-2-3;1-1-19;2-2-3;..2.....3;1 |
42fe0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 32 2d | -2-3;2-2-3;2-1-19;..3.....3;1-2- |
43000 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 34 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 3;2-2-3;2-1-15;..4.....3;1-2-3;1 |
43020 | 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 35 00 1d 00 00 00 33 3b 31 2d 32 | -1-15;2-2-3;2-1-19;..5.....3;1-2 |
43040 | 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 36 00 16 00 00 00 33 | -3;1-1-19;2-2-3;2-1-15;..6.....3 |
43060 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 39 3b 00 02 37 00 10 00 00 00 31 39 3b 31 | ;1-2-3;2-2-3;2-2-19;..7.....19;1 |
43080 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d | -1-3;2-2-3;..8.....15;1-1-3;2-2- |
430a0 | 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 11 00 00 00 4e 63 31 63 63 63 28 63 28 63 31 29 4e 29 43 | 3;....smiles.....Nc1ccc(c(c1)N)C |
430c0 | 6c 00 02 69 6e 63 68 69 00 33 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 37 43 6c 4e 32 2f 63 | l..inchi.3...InChI=1S/C6H7ClN2/c |
430e0 | 37 2d 35 2d 32 2d 31 2d 34 28 38 29 33 2d 36 28 35 29 39 2f 68 31 2d 33 48 2c 38 2d 39 48 32 00 | 7-5-2-1-4(8)3-6(5)9/h1-3H,8-9H2. |
43100 | 09 75 70 64 61 74 65 64 5f 61 74 00 8e f6 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at...^FP....created_at. |
43120 | 8c f6 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | ..^FP....default_fingerprint_siz |
43140 | 65 00 00 00 00 00 00 84 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 5b 04 77 61 72 | e..........._id.V..h+r.+@..[.war |
43160 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c0 00 00 00 04 4d 50 | nings.......fingerprints......MP |
43180 | 32 44 00 b5 00 00 00 02 30 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | 2D......0.....19;1-1-3;2-2-3;..1 |
431a0 | 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 | .....3;1-2-3;1-1-19;2-2-3;..2... |
431c0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 0f 00 00 00 33 | ..3;1-2-3;2-2-3;2-1-19;..3.....3 |
431e0 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | ;1-2-3;2-2-3;..4.....3;1-2-3;2-2 |
43200 | 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 16 00 00 | -3;..5.....3;1-2-3;2-2-3;..6.... |
43220 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 | .3;1-2-3;2-2-3;2-1-19;....smiles |
43240 | 00 0a 00 00 00 4e 63 31 63 63 63 63 63 31 00 02 69 6e 63 68 69 00 2a 00 00 00 49 6e 43 68 49 3d | .....Nc1ccccc1..inchi.*...InChI= |
43260 | 31 53 2f 43 36 48 37 4e 2f 63 37 2d 36 2d 34 2d 32 2d 31 2d 33 2d 35 2d 36 2f 68 31 2d 35 48 2c | 1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H, |
43280 | 37 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 95 f6 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 | 7H2..updated_at...^FP....created |
432a0 | 5f 61 74 00 93 f6 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...^FP....default_fingerprint |
432c0 | 5f 73 69 7a 65 00 00 00 00 00 00 2c 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 5c | _size......,...._id.V..h+r.+@..\ |
432e0 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 59 01 00 | .warnings.......fingerprints.Y.. |
43300 | 00 04 4d 50 32 44 00 4e 01 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 | ..MP2D.N....0.....9;1-1-6;2-1-19 |
43320 | 3b 00 02 31 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d | ;..1.....6;1-1-9;1-1-19;2-1-1;2- |
43340 | 31 2d 33 3b 00 02 32 00 29 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 | 1-3;..2.)...19;1-1-1;1-1-3;1-1-6 |
43360 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 33 00 29 00 00 00 33 3b 31 2d | ;2-1-3;2-1-9;2-1-11;..3.)...3;1- |
43380 | 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d | 1-3;1-1-11;1-1-19;2-1-1;2-2-3;2- |
433a0 | 31 2d 36 3b 00 02 34 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 | 1-6;..4.....3;1-2-3;2-1-3;2-1-11 |
433c0 | 3b 32 2d 31 2d 31 39 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 | ;2-1-19;..5.....3;1-2-3;2-2-3;.. |
433e0 | 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 37 00 16 | 6.....3;1-2-3;2-1-3;2-1-11;..7.. |
43400 | 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 38 00 17 00 00 00 | ...3;1-1-3;1-1-11;2-2-3;..8..... |
43420 | 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 39 00 16 00 00 00 31 3b | 11;1-2-3;2-2-3;2-1-19;..9.....1; |
43440 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 10 00 | 1-1-19;2-1-3;2-1-6;....smiles... |
43460 | 00 00 4f 3d 4e 4e 28 63 31 63 63 63 63 6e 31 29 43 00 02 69 6e 63 68 69 00 33 00 00 00 49 6e 43 | ..O=NN(c1ccccn1)C..inchi.3...InC |
43480 | 68 49 3d 31 53 2f 43 36 48 37 4e 33 4f 2f 63 31 2d 39 28 38 2d 31 30 29 36 2d 34 2d 32 2d 33 2d | hI=1S/C6H7N3O/c1-9(8-10)6-4-2-3- |
434a0 | 35 2d 37 2d 36 2f 68 32 2d 35 48 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 9b f6 5e 46 | 5-7-6/h2-5H,1H3..updated_at...^F |
434c0 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 99 f6 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at...^FP....default |
434e0 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 2c 02 00 00 07 5f 69 64 00 | _fingerprint_size......,...._id. |
43500 | 56 16 1c 68 2b 72 ed 2b 40 00 01 5d 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..h+r.+@..].warnings.......fing |
43520 | 65 72 70 72 69 6e 74 73 00 50 01 00 00 04 4d 50 32 44 00 45 01 00 00 02 30 00 10 00 00 00 35 3b | erprints.P....MP2D.E....0.....5; |
43540 | 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 00 02 31 00 1c 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d | 1-1-28;2-1-2;..1.....28;1-1-2;1- |
43560 | 31 2d 35 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 00 22 00 00 00 32 3b 31 2d 31 2d 33 3b | 1-5;2-1-3;2-1-9;..2."...2;1-1-3; |
43580 | 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 00 02 33 00 16 00 00 | 1-1-9;1-1-28;2-2-3;2-1-5;..3.... |
435a0 | 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 34 00 22 00 00 00 33 3b | .9;1-1-2;2-1-3;2-1-28;..4."...3; |
435c0 | 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 | 1-1-2;1-2-3;2-2-3;2-1-9;2-1-28;. |
435e0 | 02 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 | .5.....3;1-2-3;2-1-2;2-1-3;2-1-1 |
43600 | 31 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 | 1;..6.....3;1-1-3;1-1-11;2-2-3;. |
43620 | 02 37 00 10 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 16 00 00 00 33 3b | .7.....11;1-2-3;2-2-3;..8.....3; |
43640 | 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 39 00 1c 00 00 00 33 3b 31 2d 32 | 1-1-3;1-1-11;2-2-3;..9.....3;1-2 |
43660 | 2d 33 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 00 00 02 73 6d 69 6c 65 73 | -3;2-1-2;2-1-3;2-1-11;....smiles |
43680 | 00 10 00 00 00 4e 4e 43 28 3d 4f 29 63 31 63 63 6e 63 63 31 00 02 69 6e 63 68 69 00 3c 00 00 00 | .....NNC(=O)c1ccncc1..inchi.<... |
436a0 | 49 6e 43 68 49 3d 31 53 2f 43 36 48 37 4e 33 4f 2f 63 37 2d 39 2d 36 28 31 30 29 35 2d 31 2d 33 | InChI=1S/C6H7N3O/c7-9-6(10)5-1-3 |
436c0 | 2d 38 2d 34 2d 32 2d 35 2f 68 31 2d 34 48 2c 37 48 32 2c 28 48 2c 39 2c 31 30 29 00 09 75 70 64 | -8-4-2-5/h1-4H,7H2,(H,9,10)..upd |
436e0 | 61 74 65 64 5f 61 74 00 a2 f6 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a0 f6 5e 46 | ated_at...^FP....created_at...^F |
43700 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
43720 | 00 00 00 b6 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 5e 04 77 61 72 6e 69 6e 67 | ........_id.V..h+r.+@..^.warning |
43740 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ec 00 00 00 04 4d 50 32 44 00 e1 | s.......fingerprints......MP2D.. |
43760 | 00 00 00 02 30 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 1d 00 00 | ....0.....19;1-1-3;2-2-3;..1.... |
43780 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 32 | .3;1-2-3;1-1-19;2-2-3;2-1-19;..2 |
437a0 | 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 0f 00 | .....3;1-2-3;2-2-3;2-1-19;..3... |
437c0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b | ..3;1-2-3;2-2-3;..4.....3;1-2-3; |
437e0 | 32 2d 32 2d 33 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 2-2-3;..5.....3;1-2-3;2-2-3;2-1- |
43800 | 31 39 3b 00 02 36 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b | 19;..6.....3;1-2-3;1-1-19;2-2-3; |
43820 | 32 2d 31 2d 31 39 3b 00 02 37 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 | 2-1-19;..7.....19;1-1-3;2-2-3;.. |
43840 | 00 02 73 6d 69 6c 65 73 00 0b 00 00 00 4e 63 31 63 63 63 63 63 31 4e 00 02 69 6e 63 68 69 00 2f | ..smiles.....Nc1ccccc1N..inchi./ |
43860 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 38 4e 32 2f 63 37 2d 35 2d 33 2d 31 2d 32 2d 34 2d | ...InChI=1S/C6H8N2/c7-5-3-1-2-4- |
43880 | 36 28 35 29 38 2f 68 31 2d 34 48 2c 37 2d 38 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 a9 f6 | 6(5)8/h1-4H,7-8H2..updated_at... |
438a0 | 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a7 f6 5e 46 50 01 00 00 10 64 65 66 61 75 | ^FP....created_at...^FP....defau |
438c0 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 10 03 00 00 07 5f 69 | lt_fingerprint_size..........._i |
438e0 | 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 5f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..h+r.+@.._.warnings.......fi |
43900 | 6e 67 65 72 70 72 69 6e 74 73 00 15 02 00 00 04 4d 50 32 44 00 0a 02 00 00 02 30 00 0f 00 00 00 | ngerprints......MP2D......0..... |
43920 | 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | 1;1-1-1;2-1-6;..1.....1;1-1-1;1- |
43940 | 31 2d 36 3b 32 2d 31 2d 32 3b 00 02 32 00 22 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | 1-6;2-1-2;..2."...6;1-1-1;1-1-2; |
43960 | 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 33 00 22 00 00 00 32 3b 31 2d 31 | 2-1-1;2-1-9;2-1-19;..3."...2;1-1 |
43980 | 2d 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 34 00 | -6;1-1-9;1-1-19;2-1-1;2-1-3;..4. |
439a0 | 2a 00 00 00 31 39 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 32 | *...19;1-1-2;1-1-3;2-1-6;2-1-9;2 |
439c0 | 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 35 00 24 00 00 00 33 3b 31 2d 31 2d 31 31 3b 31 2d | -1-11;2-1-18;..5.$...3;1-1-11;1- |
439e0 | 31 2d 31 38 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 1e 00 00 00 | 1-18;1-1-19;2-1-2;2-2-3;..6..... |
43a00 | 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 31 39 3b 00 02 37 | 11;1-2-3;2-1-3;2-1-18;2-1-19;..7 |
43a20 | 00 24 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 38 | .$...3;1-1-3;1-1-11;2-1-3;2-1-18 |
43a40 | 3b 32 2d 31 2d 31 39 3b 00 02 38 00 2a 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 38 3b 31 | ;2-1-19;..8.*...3;1-1-3;1-1-18;1 |
43a60 | 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 39 00 1e 00 00 | -1-19;2-1-3;2-2-9;2-1-11;..9.... |
43a80 | 00 31 38 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 32 2d 31 39 3b 00 02 | .18;1-2-3;2-1-3;2-1-11;2-2-19;.. |
43aa0 | 31 30 00 1d 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d | 10.....19;1-1-3;1-2-9;2-1-3;2-1- |
43ac0 | 31 38 3b 00 02 31 31 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 | 18;..11.....9;1-1-19;2-1-3;2-1-9 |
43ae0 | 3b 00 02 31 32 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 | ;..12.....9;1-1-19;2-1-3;2-1-9;. |
43b00 | 02 31 33 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 00 00 | .13.....9;1-1-2;2-1-6;2-1-19;... |
43b20 | 02 73 6d 69 6c 65 73 00 1a 00 00 00 43 43 4e 3d 43 28 4e 63 31 6e 63 63 28 73 31 29 4e 28 3d 4f | .smiles.....CCN=C(Nc1ncc(s1)N(=O |
43b40 | 29 3d 4f 29 4f 00 02 69 6e 63 68 69 00 51 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 38 4e 34 | )=O)O..inchi.Q...InChI=1S/C6H8N4 |
43b60 | 4f 33 53 2f 63 31 2d 32 2d 37 2d 35 28 31 31 29 39 2d 36 2d 38 2d 33 2d 34 28 31 34 2d 36 29 31 | O3S/c1-2-7-5(11)9-6-8-3-4(14-6)1 |
43b80 | 30 28 31 32 29 31 33 2f 68 33 48 2c 32 48 32 2c 31 48 33 2c 28 48 32 2c 37 2c 38 2c 39 2c 31 31 | 0(12)13/h3H,2H2,1H3,(H2,7,8,9,11 |
43ba0 | 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 b0 f6 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | )..updated_at...^FP....created_a |
43bc0 | 74 00 ae f6 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t...^FP....default_fingerprint_s |
43be0 | 69 7a 65 00 00 00 00 00 00 85 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 60 04 77 | ize..........._id.V..h+r.+@..`.w |
43c00 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c2 00 00 00 04 | arnings.......fingerprints...... |
43c20 | 4d 50 32 44 00 b7 00 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 02 | MP2D......0.....1;1-1-2;2-1-2;.. |
43c40 | 31 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 02 32 00 15 00 | 1.....2;1-1-1;1-1-2;2-1-2;..2... |
43c60 | 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 00 0f 00 00 00 32 3b | ..2;1-2-2;2-1-1;2-1-2;..3.....2; |
43c80 | 31 2d 32 2d 32 3b 32 2d 32 2d 32 3b 00 02 34 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d | 1-2-2;2-2-2;..4.....2;1-2-2;2-1- |
43ca0 | 32 3b 32 2d 31 2d 39 3b 00 02 35 00 15 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d | 2;2-1-9;..5.....2;1-1-2;1-1-9;2- |
43cc0 | 31 2d 32 3b 00 02 36 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d | 1-2;..6.....9;1-1-2;2-1-2;....sm |
43ce0 | 69 6c 65 73 00 0b 00 00 00 43 43 3d 43 43 3d 43 43 3d 4f 00 02 69 6e 63 68 69 00 28 00 00 00 49 | iles.....CC=CC=CC=O..inchi.(...I |
43d00 | 6e 43 68 49 3d 31 53 2f 43 36 48 38 4f 2f 63 31 2d 32 2d 33 2d 34 2d 35 2d 36 2d 37 2f 68 32 2d | nChI=1S/C6H8O/c1-2-3-4-5-6-7/h2- |
43d20 | 36 48 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 b6 f6 5e 46 50 01 00 00 09 63 72 65 61 | 6H,1H3..updated_at...^FP....crea |
43d40 | 74 65 64 5f 61 74 00 b4 f6 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at...^FP....default_fingerpr |
43d60 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 ee 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 | int_size..........._id.V..h+r.+@ |
43d80 | 00 01 61 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 | ..a.warnings.......fingerprints. |
43da0 | 22 01 00 00 04 4d 50 32 44 00 17 01 00 00 02 30 00 10 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 | "....MP2D......0.....2;1-1-2;2-1 |
43dc0 | 2d 32 38 3b 00 02 31 00 1c 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 | -28;..1.....2;1-1-2;1-1-28;2-1-1 |
43de0 | 3b 32 2d 31 2d 32 3b 00 02 32 00 22 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d | ;2-1-2;..2."...28;1-1-1;1-2-2;2- |
43e00 | 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 33 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b | 2-1;2-1-2;2-1-9;..3.....1;1-1-1; |
43e20 | 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 34 00 16 00 00 00 31 3b 31 2d 32 | 1-1-28;2-1-1;2-2-2;..4.....1;1-2 |
43e40 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 02 35 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b | -1;2-1-2;2-1-28;..5."...1;1-1-1; |
43e60 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 36 00 22 00 00 | 1-1-2;2-1-1;2-1-9;2-1-28;..6.".. |
43e80 | 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d | .2;1-1-1;1-1-9;1-1-28;2-2-1;2-1- |
43ea0 | 32 3b 00 02 37 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 | 2;..7.....9;1-1-2;2-1-1;2-1-28;. |
43ec0 | 00 00 02 73 6d 69 6c 65 73 00 0d 00 00 00 43 3d 43 4e 31 43 43 43 43 31 3d 4f 00 02 69 6e 63 68 | ...smiles.....C=CN1CCCC1=O..inch |
43ee0 | 69 00 2f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 39 4e 4f 2f 63 31 2d 32 2d 37 2d 35 2d 33 | i./...InChI=1S/C6H9NO/c1-2-7-5-3 |
43f00 | 2d 34 2d 36 28 37 29 38 2f 68 32 48 2c 31 2c 33 2d 35 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 | -4-6(7)8/h2H,1,3-5H2..updated_at |
43f20 | 00 bd f6 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 bb f6 5e 46 50 01 00 00 10 64 65 | ...^FP....created_at...^FP....de |
43f40 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 97 02 00 00 | fault_fingerprint_size.......... |
43f60 | 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 62 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V..h+r.+@..b.warnings...... |
43f80 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 9d 01 00 00 04 4d 50 32 44 00 92 01 00 00 02 30 00 17 | .fingerprints......MP2D......0.. |
43fa0 | 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 31 00 16 00 00 | ...32;1-1-2;2-1-1;2-1-32;..1.... |
43fc0 | 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d 35 3b 00 02 32 00 17 00 00 00 33 32 | .2;1-1-1;1-2-32;2-1-5;..2.....32 |
43fe0 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 33 00 1c 00 00 00 31 3b 31 2d | ;1-1-2;2-1-1;2-1-32;..3.....1;1- |
44000 | 31 2d 32 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 32 3b 00 02 34 00 0f 00 00 00 35 | 1-2;1-1-5;2-2-1;2-2-32;..4.....5 |
44020 | 3b 31 2d 33 2d 31 3b 32 2d 33 2d 32 3b 00 02 35 00 1c 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 | ;1-3-1;2-3-2;..5.....1;1-1-2;1-1 |
44040 | 2d 35 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 32 3b 00 02 36 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b | -5;2-2-1;2-2-32;..6.....2;1-1-1; |
44060 | 31 2d 32 2d 33 32 3b 32 2d 31 2d 35 3b 00 02 37 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d | 1-2-32;2-1-5;..7.....32;1-1-2;2- |
44080 | 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 38 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d | 1-1;2-1-32;..8.....32;1-1-2;2-1- |
440a0 | 31 3b 32 2d 31 2d 33 32 3b 00 02 39 00 1c 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 35 3b 32 | 1;2-1-32;..9.....1;1-1-2;1-1-5;2 |
440c0 | 2d 32 2d 31 3b 32 2d 32 2d 33 32 3b 00 02 31 30 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 | -2-1;2-2-32;..10.....2;1-1-1;1-2 |
440e0 | 2d 33 32 3b 32 2d 31 2d 35 3b 00 02 31 31 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d | -32;2-1-5;..11.....32;1-1-2;2-1- |
44100 | 31 3b 32 2d 31 2d 33 32 3b 00 02 31 32 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 | 1;2-1-32;..12.....32;1-1-2;2-1-1 |
44120 | 3b 32 2d 31 2d 33 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 4f 43 28 3d 4f 29 43 4e 28 | ;2-1-32;....smiles.....OC(=O)CN( |
44140 | 43 43 28 3d 4f 29 4f 29 43 43 28 3d 4f 29 4f 00 02 69 6e 63 68 69 00 51 00 00 00 49 6e 43 68 49 | CC(=O)O)CC(=O)O..inchi.Q...InChI |
44160 | 3d 31 53 2f 43 36 48 39 4e 4f 36 2f 63 38 2d 34 28 39 29 31 2d 37 28 32 2d 35 28 31 30 29 31 31 | =1S/C6H9NO6/c8-4(9)1-7(2-5(10)11 |
44180 | 29 33 2d 36 28 31 32 29 31 33 2f 68 31 2d 33 48 32 2c 28 48 2c 38 2c 39 29 28 48 2c 31 30 2c 31 | )3-6(12)13/h1-3H2,(H,8,9)(H,10,1 |
441a0 | 31 29 28 48 2c 31 32 2c 31 33 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 c3 f6 5e 46 50 01 00 00 | 1)(H,12,13)..updated_at...^FP... |
441c0 | 09 63 72 65 61 74 65 64 5f 61 74 00 c2 f6 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at...^FP....default_fin |
441e0 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 e3 01 00 00 07 5f 69 64 00 56 16 1c 68 | gerprint_size..........._id.V..h |
44200 | 2b 72 ed 2b 40 00 01 63 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.+@..c.warnings.......fingerpr |
44220 | 69 6e 74 73 00 0d 01 00 00 04 4d 50 32 44 00 02 01 00 00 02 30 00 10 00 00 00 31 39 3b 31 2d 31 | ints......MP2D......0.....19;1-1 |
44240 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b | -3;2-2-3;..1.....3;1-2-3;1-1-19; |
44260 | 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 2-2-3;..2.....3;1-2-3;2-2-3;2-1- |
44280 | 31 39 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | 19;..3.....3;1-2-3;2-1-1;2-2-3;. |
442a0 | 02 34 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | .4.....3;1-1-1;1-2-3;2-2-3;2-1-1 |
442c0 | 39 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 | 9;..5.....3;1-2-3;1-1-19;2-1-1;2 |
442e0 | 2d 32 2d 33 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 | -2-3;..6.....3;1-2-3;2-2-3;2-2-1 |
44300 | 39 3b 00 02 37 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 | 9;..7.....19;1-1-3;2-2-3;..8.... |
44320 | 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 10 00 00 00 4e 63 | .1;1-1-3;2-2-3;....smiles.....Nc |
44340 | 31 63 63 63 28 63 28 63 31 29 4e 29 43 00 02 69 6e 63 68 69 00 36 00 00 00 49 6e 43 68 49 3d 31 | 1ccc(c(c1)N)C..inchi.6...InChI=1 |
44360 | 53 2f 43 37 48 31 30 4e 32 2f 63 31 2d 35 2d 32 2d 33 2d 36 28 38 29 34 2d 37 28 35 29 39 2f 68 | S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h |
44380 | 32 2d 34 48 2c 38 2d 39 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 ca f6 5e 46 50 | 2-4H,8-9H2,1H3..updated_at...^FP |
443a0 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c8 f6 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at...^FP....default_ |
443c0 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 08 02 00 00 07 5f 69 64 00 56 | fingerprint_size..........._id.V |
443e0 | 16 1c 68 2b 72 ed 2b 40 00 01 64 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..h+r.+@..d.warnings.......finge |
44400 | 72 70 72 69 6e 74 73 00 2f 01 00 00 04 4d 50 32 44 00 24 01 00 00 02 30 00 0f 00 00 00 31 3b 31 | rprints./....MP2D.$....0.....1;1 |
44420 | 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 | -1-8;2-1-3;..1.....8;1-1-1;1-1-3 |
44440 | 3b 32 2d 32 2d 33 3b 00 02 32 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 | ;2-2-3;..2."...3;1-2-3;1-1-8;2-1 |
44460 | 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | -1;2-2-3;2-1-19;..3.....3;1-2-3; |
44480 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-2-3;2-1-8;..4.....3;1-2-3;2-2- |
444a0 | 33 3b 32 2d 31 2d 31 39 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b | 3;2-1-19;..5.....3;1-2-3;1-1-19; |
444c0 | 32 2d 32 2d 33 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d | 2-2-3;..6.....3;1-2-3;2-2-3;2-2- |
444e0 | 31 39 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b | 19;..7.....3;1-2-3;1-1-19;2-2-3; |
44500 | 32 2d 31 2d 38 3b 00 02 38 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 | 2-1-8;..8.....19;1-1-3;2-2-3;..9 |
44520 | 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 0f | .....19;1-1-3;2-2-3;....smiles.. |
44540 | 00 00 00 43 4f 63 31 63 63 63 28 63 63 31 4e 29 4e 00 02 69 6e 63 68 69 00 3a 00 00 00 49 6e 43 | ...COc1ccc(cc1N)N..inchi.:...InC |
44560 | 68 49 3d 31 53 2f 43 37 48 31 30 4e 32 4f 2f 63 31 2d 31 30 2d 37 2d 33 2d 32 2d 35 28 38 29 34 | hI=1S/C7H10N2O/c1-10-7-3-2-5(8)4 |
44580 | 2d 36 28 37 29 39 2f 68 32 2d 34 48 2c 38 2d 39 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f | -6(7)9/h2-4H,8-9H2,1H3..updated_ |
445a0 | 61 74 00 d0 f6 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 cf f6 5e 46 50 01 00 00 10 | at...^FP....created_at...^FP.... |
445c0 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 6b 02 | default_fingerprint_size......k. |
445e0 | 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 65 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V..h+r.+@..e.warnings.... |
44600 | 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 7e 01 00 00 04 4d 50 32 44 00 73 01 00 00 02 30 | ...fingerprints.~....MP2D.s....0 |
44620 | 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 | .....1;1-1-1;2-1-1;..1.....1;1-2 |
44640 | 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 | -1;2-1-3;..2."...1;1-1-1;1-1-3;2 |
44660 | 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 33 00 22 00 00 00 33 3b 31 2d 31 2d | -1-1;2-1-3;2-1-11;..3."...3;1-1- |
44680 | 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 1c | 1;1-1-3;1-1-11;2-1-1;2-2-3;..4.. |
446a0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 31 3b 00 02 | ...3;1-2-3;2-1-1;2-1-8;2-2-11;.. |
446c0 | 35 00 1c 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 | 5.....3;1-1-3;1-1-8;1-1-11;2-2-3 |
446e0 | 3b 00 02 36 00 16 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 | ;..6.....8;1-1-3;2-1-3;2-1-11;.. |
44700 | 37 00 24 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 | 7.$...11;1-2-3;2-1-3;2-1-8;2-1-1 |
44720 | 30 3b 32 2d 31 2d 31 31 3b 00 02 38 00 17 00 00 00 33 3b 31 2d 31 2d 31 30 3b 31 2d 32 2d 31 31 | 0;2-1-11;..8.....3;1-1-10;1-2-11 |
44740 | 3b 32 2d 32 2d 33 3b 00 02 39 00 24 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | ;2-2-3;..9.$...11;1-2-3;2-1-1;2- |
44760 | 31 2d 33 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 11 00 00 00 31 30 3b 31 2d | 1-3;2-1-10;2-1-11;..10.....10;1- |
44780 | 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 12 00 00 00 43 43 43 63 31 63 | 1-3;2-2-11;....smiles.....CCCc1c |
447a0 | 63 28 4f 29 6e 63 28 6e 31 29 53 00 02 69 6e 63 68 69 00 4b 00 00 00 49 6e 43 68 49 3d 31 53 2f | c(O)nc(n1)S..inchi.K...InChI=1S/ |
447c0 | 43 37 48 31 30 4e 32 4f 53 2f 63 31 2d 32 2d 33 2d 35 2d 34 2d 36 28 31 30 29 39 2d 37 28 31 31 | C7H10N2OS/c1-2-3-5-4-6(10)9-7(11 |
447e0 | 29 38 2d 35 2f 68 34 48 2c 32 2d 33 48 32 2c 31 48 33 2c 28 48 32 2c 38 2c 39 2c 31 30 2c 31 31 | )8-5/h4H,2-3H2,1H3,(H2,8,9,10,11 |
44800 | 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 d7 f6 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | )..updated_at...^FP....created_a |
44820 | 74 00 d6 f6 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t...^FP....default_fingerprint_s |
44840 | 69 7a 65 00 00 00 00 00 00 6a 03 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 66 04 77 | ize......j...._id.V..h+r.+@..f.w |
44860 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 74 02 00 00 04 | arnings.......fingerprints.t.... |
44880 | 4d 50 32 44 00 69 02 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 38 3b 00 | MP2D.i....0.....9;1-1-6;2-1-28;. |
448a0 | 02 31 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d | .1.....6;1-1-9;1-1-28;2-1-1;2-1- |
448c0 | 32 3b 00 02 32 00 22 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 | 2;..2."...28;1-1-1;1-1-2;1-1-6;2 |
448e0 | 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 02 33 00 2f 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 | -1-3;2-2-9;..3./...2;1-1-3;1-1-9 |
44900 | 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 31 | ;1-1-28;2-1-1;2-1-3;2-1-6;2-1-11 |
44920 | 3b 00 02 34 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 | ;..4.....9;1-1-2;2-1-3;2-1-28;.. |
44940 | 35 00 3d 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 | 5.=...3;1-1-2;1-1-3;1-1-11;2-1-1 |
44960 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 32 2d 31 2d 32 | ;2-1-3;2-1-9;2-1-11;2-1-19;2-1-2 |
44980 | 38 3b 00 02 36 00 23 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 | 8;..6.#...11;1-1-1;1-2-3;2-1-2;2 |
449a0 | 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 37 00 10 00 00 00 31 3b 31 2d 31 2d 31 31 3b 32 2d 32 | -1-3;2-1-11;..7.....1;1-1-11;2-2 |
449c0 | 2d 33 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | -3;..8.....3;1-2-11;2-1-1;2-2-3; |
449e0 | 00 02 39 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d | ..9.....11;1-2-3;2-1-3;2-1-11;2- |
44a00 | 31 2d 31 39 3b 00 02 31 30 00 36 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 | 1-19;..10.6...3;1-1-3;1-1-11;1-1 |
44a20 | 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d | -19;2-1-1;2-1-2;2-1-3;2-1-6;2-1- |
44a40 | 31 31 3b 00 02 31 31 00 29 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 | 11;..11.)...19;1-1-1;1-1-3;1-1-6 |
44a60 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 31 32 00 1c 00 00 00 36 3b 31 | ;2-1-3;2-1-9;2-1-11;..12.....6;1 |
44a80 | 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 33 00 10 00 00 | -1-9;1-1-19;2-1-1;2-1-3;..13.... |
44aa0 | 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 34 00 16 00 00 00 31 3b 31 2d 31 2d 31 | .9;1-1-6;2-1-19;..14.....1;1-1-1 |
44ac0 | 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 35 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b | 9;2-1-3;2-1-6;..15.....1;1-1-28; |
44ae0 | 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 1e 00 00 00 4f 3d 4e 4e 28 | 2-1-2;2-1-6;....smiles.....O=NN( |
44b00 | 43 28 3d 4f 29 63 31 6e 28 43 29 63 6e 63 31 4e 28 4e 3d 4f 29 43 29 43 00 02 69 6e 63 68 69 00 | C(=O)c1n(C)cnc1N(N=O)C)C..inchi. |
44b20 | 48 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 31 30 4e 36 4f 33 2f 63 31 2d 31 31 2d 34 2d 38 | H...InChI=1S/C7H10N6O3/c1-11-4-8 |
44b40 | 2d 36 28 31 32 28 32 29 39 2d 31 35 29 35 28 31 31 29 37 28 31 34 29 31 33 28 33 29 31 30 2d 31 | -6(12(2)9-15)5(11)7(14)13(3)10-1 |
44b60 | 36 2f 68 34 48 2c 31 2d 33 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 df f6 5e 46 50 01 00 00 | 6/h4H,1-3H3..updated_at...^FP... |
44b80 | 09 63 72 65 61 74 65 64 5f 61 74 00 dd f6 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at...^FP....default_fin |
44ba0 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 14 03 00 00 07 5f 69 64 00 56 16 1c 68 | gerprint_size..........._id.V..h |
44bc0 | 2b 72 ed 2b 40 00 01 67 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.+@..g.warnings.......fingerpr |
44be0 | 69 6e 74 73 00 21 02 00 00 04 4d 50 32 44 00 16 02 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d | ints.!....MP2D......0.....9;1-1- |
44c00 | 36 3b 32 2d 31 2d 31 39 3b 00 02 31 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b | 6;2-1-19;..1.....6;1-1-9;1-1-19; |
44c20 | 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 00 29 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-1-1;2-1-3;..2.)...19;1-1-1;1-1 |
44c40 | 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 33 00 | -3;1-1-6;2-1-3;2-1-9;2-1-11;..3. |
44c60 | 36 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b | 6...3;1-1-3;1-1-11;1-1-19;2-1-1; |
44c80 | 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 31 3b 00 02 34 00 1e 00 00 | 2-1-2;2-1-3;2-1-6;2-1-11;..4.... |
44ca0 | 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 | .11;1-2-3;2-1-3;2-1-11;2-1-19;.. |
44cc0 | 35 00 16 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 23 | 5.....3;1-2-11;2-1-1;2-2-3;..6.# |
44ce0 | 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d | ...11;1-1-1;1-2-3;2-1-2;2-1-3;2- |
44d00 | 31 2d 31 31 3b 00 02 37 00 3c 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 | 1-11;..7.<...3;1-1-2;1-1-3;1-1-1 |
44d20 | 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 | 1;2-1-1;2-1-3;2-1-6;2-1-9;2-1-11 |
44d40 | 3b 32 2d 31 2d 31 39 3b 00 02 38 00 28 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 31 2d | ;2-1-19;..8.(...2;1-1-3;1-1-6;1- |
44d60 | 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 39 00 1b 00 00 00 36 | 1-9;2-1-1;2-1-3;2-1-11;..9.....6 |
44d80 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 30 00 0f 00 | ;1-1-1;1-1-2;2-1-3;2-1-9;..10... |
44da0 | 00 00 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 00 02 31 31 00 15 00 00 00 39 3b 31 2d 31 2d 32 | ..1;1-1-6;2-1-2;..11.....9;1-1-2 |
44dc0 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 32 00 10 00 00 00 31 3b 31 2d 31 2d 31 31 3b 32 | ;2-1-3;2-1-6;..12.....1;1-1-11;2 |
44de0 | 2d 32 2d 33 3b 00 02 31 33 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 | -2-3;..13.....1;1-1-19;2-1-3;2-1 |
44e00 | 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 4f 3d 4e 4e 28 63 31 6e 63 6e 28 63 31 43 | -6;....smiles.....O=NN(c1ncn(c1C |
44e20 | 28 3d 4e 43 29 4f 29 43 29 43 00 02 69 6e 63 68 69 00 4a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | (=NC)O)C)C..inchi.J...InChI=1S/C |
44e40 | 37 48 31 31 4e 35 4f 32 2f 63 31 2d 38 2d 37 28 31 33 29 35 2d 36 28 31 32 28 33 29 31 30 2d 31 | 7H11N5O2/c1-8-7(13)5-6(12(3)10-1 |
44e60 | 34 29 39 2d 34 2d 31 31 28 35 29 32 2f 68 34 48 2c 31 2d 33 48 33 2c 28 48 2c 38 2c 31 33 29 00 | 4)9-4-11(5)2/h4H,1-3H3,(H,8,13). |
44e80 | 09 75 70 64 61 74 65 64 5f 61 74 00 e6 f6 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at...^FP....created_at. |
44ea0 | e4 f6 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | ..^FP....default_fingerprint_siz |
44ec0 | 65 00 00 00 00 00 00 0d 03 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 68 04 77 61 72 | e..........._id.V..h+r.+@..h.war |
44ee0 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 08 02 00 00 04 4d 50 | nings.......fingerprints......MP |
44f00 | 32 44 00 fd 01 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 | 2D......0.....9;1-1-6;2-1-19;..1 |
44f20 | 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b | .....6;1-1-9;1-1-19;2-1-1;2-1-2; |
44f40 | 00 02 32 00 22 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 | ..2."...19;1-1-1;1-1-2;1-1-6;2-1 |
44f60 | 2d 36 3b 32 2d 32 2d 39 3b 00 02 33 00 22 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 31 | -6;2-2-9;..3."...2;1-1-6;1-1-9;1 |
44f80 | 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 34 00 22 00 00 00 36 3b 31 2d 31 2d | -1-19;2-2-1;2-1-6;..4."...6;1-1- |
44fa0 | 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 35 00 1b | 1;1-1-2;2-1-1;2-1-9;2-1-19;..5.. |
44fc0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 36 | ...1;1-1-1;1-1-6;2-1-1;2-1-2;..6 |
44fe0 | 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 37 00 1b 00 00 | .....1;1-2-1;2-1-1;2-1-6;..7.... |
45000 | 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 35 3b 00 02 38 00 22 | .1;1-2-1;2-1-1;2-1-2;2-1-5;..8." |
45020 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 32 | ...1;1-1-1;1-1-2;1-1-5;2-1-1;2-2 |
45040 | 2d 33 32 3b 00 02 39 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d 31 | -32;..9.....2;1-1-1;1-2-32;2-1-1 |
45060 | 3b 32 2d 31 2d 35 3b 00 02 31 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 | ;2-1-5;..10.....32;1-1-2;2-1-1;2 |
45080 | 2d 31 2d 33 32 3b 00 02 31 31 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d | -1-32;..11.....32;1-1-2;2-1-1;2- |
450a0 | 31 2d 33 32 3b 00 02 31 32 00 15 00 00 00 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d | 1-32;..12.....5;1-1-1;2-1-1;2-1- |
450c0 | 32 3b 00 02 31 33 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b | 2;..13.....9;1-1-2;2-1-6;2-1-19; |
450e0 | 00 02 31 34 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 00 | ..14.....1;1-1-19;2-1-2;2-1-6;.. |
45100 | 00 02 73 6d 69 6c 65 73 00 1b 00 00 00 4f 3d 4e 4e 28 43 28 3d 4e 43 43 43 43 28 43 28 3d 4f 29 | ..smiles.....O=NN(C(=NCCCC(C(=O) |
45120 | 4f 29 4e 29 4f 29 43 00 02 69 6e 63 68 69 00 5a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 31 | O)N)O)C..inchi.Z...InChI=1S/C7H1 |
45140 | 34 4e 34 4f 34 2f 63 31 2d 31 31 28 31 30 2d 31 35 29 37 28 31 34 29 39 2d 34 2d 32 2d 33 2d 35 | 4N4O4/c1-11(10-15)7(14)9-4-2-3-5 |
45160 | 28 38 29 36 28 31 32 29 31 33 2f 68 35 48 2c 32 2d 34 2c 38 48 32 2c 31 48 33 2c 28 48 2c 39 2c | (8)6(12)13/h5H,2-4,8H2,1H3,(H,9, |
45180 | 31 34 29 28 48 2c 31 32 2c 31 33 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 ed f6 5e 46 50 01 00 | 14)(H,12,13)..updated_at...^FP.. |
451a0 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 eb f6 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at...^FP....default_fi |
451c0 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 e6 02 00 00 07 5f 69 64 00 56 16 1c | ngerprint_size..........._id.V.. |
451e0 | 68 2b 72 ed 2b 40 00 01 69 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | h+r.+@..i.warnings.......fingerp |
45200 | 72 69 6e 74 73 00 f3 01 00 00 04 4d 50 32 44 00 e8 01 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d | rints......MP2D......0.....15;1- |
45220 | 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 | 1-1;2-1-1;..1.....1;1-1-1;1-1-15 |
45240 | 3b 32 2d 31 2d 35 3b 00 02 32 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 | ;2-1-5;..2.....1;1-1-1;1-1-5;2-1 |
45260 | 2d 31 32 3b 32 2d 31 2d 31 35 3b 00 02 33 00 28 00 00 00 35 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 | -12;2-1-15;..3.(...5;1-1-1;1-1-1 |
45280 | 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 34 00 1c 00 | 2;2-1-1;2-1-5;2-1-8;2-1-9;..4... |
452a0 | 00 00 31 32 3b 31 2d 32 2d 35 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 34 2d 31 3b 00 02 35 | ..12;1-2-5;1-1-8;1-1-9;2-4-1;..5 |
452c0 | 00 16 00 00 00 39 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 35 3b 32 2d 31 2d 38 3b 00 02 36 00 22 00 | .....9;1-1-12;2-2-5;2-1-8;..6.". |
452e0 | 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 35 3b 32 2d 31 | ..8;1-1-1;1-1-12;2-1-1;2-2-5;2-1 |
45300 | 2d 39 3b 00 02 37 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 | -9;..7.....1;1-1-1;1-1-8;2-1-1;2 |
45320 | 2d 31 2d 31 32 3b 00 02 38 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d | -1-12;..8.....1;1-2-1;2-1-5;2-1- |
45340 | 38 3b 00 02 39 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d | 8;..9.....1;1-1-1;1-1-5;2-2-1;2- |
45360 | 31 2d 31 32 3b 00 02 31 30 00 28 00 00 00 35 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 | 1-12;..10.(...5;1-2-1;1-1-12;2-2 |
45380 | 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 31 00 23 00 00 00 31 3b | -1;2-1-5;2-1-8;2-1-9;..11.#...1; |
453a0 | 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 32 3b 32 2d 31 2d 31 35 3b | 1-1-1;1-1-5;2-1-1;2-1-12;2-1-15; |
453c0 | 00 02 31 32 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 35 3b 00 02 | ..12.....1;1-1-1;1-1-15;2-1-5;.. |
453e0 | 31 33 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 | 13.....15;1-1-1;2-1-1;....smiles |
45400 | 00 16 00 00 00 43 6c 43 43 4e 50 31 28 3d 4f 29 4f 43 43 43 4e 31 43 43 43 6c 00 02 69 6e 63 68 | .....ClCCNP1(=O)OCCCN1CCCl..inch |
45420 | 69 00 4d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 31 35 43 6c 32 4e 32 4f 32 50 2f 63 38 2d | i.M...InChI=1S/C7H15Cl2N2O2P/c8- |
45440 | 32 2d 34 2d 31 30 2d 31 34 28 31 32 29 31 31 28 36 2d 33 2d 39 29 35 2d 31 2d 37 2d 31 33 2d 31 | 2-4-10-14(12)11(6-3-9)5-1-7-13-1 |
45460 | 34 2f 68 31 2d 37 48 32 2c 28 48 2c 31 30 2c 31 32 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 fb | 4/h1-7H2,(H,10,12)..updated_at.. |
45480 | f6 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f2 f6 5e 46 50 01 00 00 10 64 65 66 61 | .^FP....created_at...^FP....defa |
454a0 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 ee 02 00 00 07 5f | ult_fingerprint_size..........._ |
454c0 | 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 6a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..h+r.+@..j.warnings.......f |
454e0 | 69 6e 67 65 72 70 72 69 6e 74 73 00 f9 01 00 00 04 4d 50 32 44 00 ee 01 00 00 02 30 00 10 00 00 | ingerprints......MP2D......0.... |
45500 | 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b | .15;1-1-1;2-1-1;..1.....1;1-1-1; |
45520 | 31 2d 31 2d 31 35 3b 32 2d 31 2d 35 3b 00 02 32 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | 1-1-15;2-1-5;..2.#...1;1-1-1;1-1 |
45540 | 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 32 3b 32 2d 31 2d 31 35 3b 00 02 33 00 28 00 00 00 35 | -5;2-1-1;2-1-12;2-1-15;..3.(...5 |
45560 | 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b | ;1-2-1;1-1-12;2-2-1;2-1-5;2-1-8; |
45580 | 32 2d 31 2d 39 3b 00 02 34 00 1c 00 00 00 31 32 3b 31 2d 32 2d 35 3b 31 2d 31 2d 38 3b 31 2d 31 | 2-1-9;..4.....12;1-2-5;1-1-8;1-1 |
455a0 | 2d 39 3b 32 2d 34 2d 31 3b 00 02 35 00 16 00 00 00 39 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 35 3b | -9;2-4-1;..5.....9;1-1-12;2-2-5; |
455c0 | 32 2d 31 2d 38 3b 00 02 36 00 28 00 00 00 35 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 | 2-1-8;..6.(...5;1-1-1;1-1-12;2-1 |
455e0 | 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 37 00 1c 00 00 00 31 3b 31 | -1;2-1-5;2-1-8;2-1-9;..7.....1;1 |
45600 | 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 32 3b 00 02 38 00 15 00 00 00 | -1-1;1-1-5;2-1-1;2-1-12;..8..... |
45620 | 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b 00 02 39 00 1c 00 00 00 31 3b 31 2d | 1;1-2-1;2-1-5;2-1-8;..9.....1;1- |
45640 | 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 32 3b 00 02 31 30 00 22 00 00 00 | 1-1;1-1-8;2-1-1;2-1-12;..10."... |
45660 | 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 35 3b 32 2d 31 2d 39 | 8;1-1-1;1-1-12;2-1-1;2-2-5;2-1-9 |
45680 | 3b 00 02 31 31 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d | ;..11.#...1;1-1-1;1-1-5;2-1-1;2- |
456a0 | 31 2d 31 32 3b 32 2d 31 2d 31 35 3b 00 02 31 32 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | 1-12;2-1-15;..12.....1;1-1-1;1-1 |
456c0 | 2d 31 35 3b 32 2d 31 2d 35 3b 00 02 31 33 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d | -15;2-1-5;..13.....15;1-1-1;2-1- |
456e0 | 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 18 00 00 00 43 6c 43 43 4e 28 50 31 28 3d 4f 29 4e 43 43 | 1;....smiles.....ClCCN(P1(=O)NCC |
45700 | 43 4f 31 29 43 43 43 6c 00 02 69 6e 63 68 69 00 4d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 | CO1)CCCl..inchi.M...InChI=1S/C7H |
45720 | 31 35 43 6c 32 4e 32 4f 32 50 2f 63 38 2d 32 2d 35 2d 31 31 28 36 2d 33 2d 39 29 31 34 28 31 32 | 15Cl2N2O2P/c8-2-5-11(6-3-9)14(12 |
45740 | 29 31 30 2d 34 2d 31 2d 37 2d 31 33 2d 31 34 2f 68 31 2d 37 48 32 2c 28 48 2c 31 30 2c 31 32 29 | )10-4-1-7-13-14/h1-7H2,(H,10,12) |
45760 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 03 f7 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at...^FP....created_at |
45780 | 00 01 f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | ...^FP....default_fingerprint_si |
457a0 | 7a 65 00 00 00 00 00 00 46 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 6b 04 77 61 | ze......F...._id.V..h+r.+@..k.wa |
457c0 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 64 01 00 00 04 4d | rnings.......fingerprints.d....M |
457e0 | 50 32 44 00 59 01 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 | P2D.Y....0.....1;1-1-1;2-1-1;2-1 |
45800 | 2d 35 3b 00 02 31 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 | -5;..1.....1;1-2-1;1-1-5;2-2-1;2 |
45820 | 2d 31 2d 31 39 3b 00 02 32 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 | -1-19;..2."...1;1-1-1;1-1-19;2-2 |
45840 | 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 36 3b 00 02 33 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b | -1;2-1-5;2-1-6;..3.....19;1-2-1; |
45860 | 31 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 34 00 16 00 00 00 36 3b 31 2d 31 2d | 1-1-6;2-2-1;2-1-9;..4.....6;1-1- |
45880 | 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 35 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 | 9;1-1-19;2-2-1;..5.....9;1-1-6;2 |
458a0 | 2d 31 2d 31 39 3b 00 02 36 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 | -1-19;..6."...1;1-1-1;1-1-19;2-2 |
458c0 | 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 36 3b 00 02 37 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 | -1;2-1-5;2-1-6;..7.....1;1-2-1;1 |
458e0 | 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 38 00 0f 00 00 00 35 3b 31 2d 33 2d | -1-5;2-2-1;2-1-19;..8.....5;1-3- |
45900 | 31 3b 32 2d 34 2d 31 3b 00 02 39 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 | 1;2-4-1;..9.....1;1-1-5;2-2-1;.. |
45920 | 31 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 00 00 02 73 | 10.....1;1-1-1;2-1-1;2-1-5;....s |
45940 | 6d 69 6c 65 73 00 13 00 00 00 43 43 31 43 4e 28 4e 3d 4f 29 43 43 28 4e 31 43 29 43 00 02 69 6e | miles.....CC1CN(N=O)CC(N1C)C..in |
45960 | 63 68 69 00 3f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 31 35 4e 33 4f 2f 63 31 2d 36 2d 34 | chi.?...InChI=1S/C7H15N3O/c1-6-4 |
45980 | 2d 31 30 28 38 2d 31 31 29 35 2d 37 28 32 29 39 28 36 29 33 2f 68 36 2d 37 48 2c 34 2d 35 48 32 | -10(8-11)5-7(2)9(6)3/h6-7H,4-5H2 |
459a0 | 2c 31 2d 33 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 09 f7 5e 46 50 01 00 00 09 63 72 65 61 | ,1-3H3..updated_at...^FP....crea |
459c0 | 74 65 64 5f 61 74 00 08 f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at...^FP....default_fingerpr |
459e0 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 63 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 | int_size......c...._id.V..h+r.+@ |
45a00 | 00 01 6c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 | ..l.warnings.......fingerprints. |
45a20 | 7c 01 00 00 04 4d 50 32 44 00 71 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 | |....MP2D.q....0.....1;1-1-1;2-1 |
45a40 | 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 00 0f 00 00 | -1;..1.....1;1-2-1;2-1-1;..2.... |
45a60 | 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 | .1;1-2-1;2-2-1;..3.....1;1-2-1;2 |
45a80 | 2d 32 2d 31 3b 00 02 34 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 | -2-1;..4.....1;1-2-1;2-1-1;2-1-1 |
45aa0 | 39 3b 00 02 35 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 | 9;..5."...1;1-1-1;1-1-19;2-1-1;2 |
45ac0 | 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 36 00 28 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -1-2;2-1-6;..6.(...19;1-1-1;1-1- |
45ae0 | 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 32 2d 39 3b 00 02 37 00 22 00 | 2;1-1-6;2-1-1;2-1-6;2-2-9;..7.". |
45b00 | 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 | ..2;1-1-6;1-1-9;1-1-19;2-1-1;2-1 |
45b20 | 2d 36 3b 00 02 38 00 16 00 00 00 36 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b | -6;..8.....6;1-1-2;2-1-9;2-1-19; |
45b40 | 00 02 39 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 | ..9.....9;1-1-2;2-1-6;2-1-19;..1 |
45b60 | 30 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 | 0.....6;1-1-9;1-1-19;2-1-1;2-1-2 |
45b80 | 3b 00 02 31 31 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 | ;..11.....9;1-1-6;2-1-19;....smi |
45ba0 | 6c 65 73 00 13 00 00 00 43 43 43 43 43 43 4e 28 43 28 3d 4e 29 4f 29 4e 3d 4f 00 02 69 6e 63 68 | les.....CCCCCCN(C(=N)O)N=O..inch |
45bc0 | 69 00 44 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 31 35 4e 33 4f 32 2f 63 31 2d 32 2d 33 2d | i.D...InChI=1S/C7H15N3O2/c1-2-3- |
45be0 | 34 2d 35 2d 36 2d 31 30 28 39 2d 31 32 29 37 28 38 29 31 31 2f 68 32 2d 36 48 32 2c 31 48 33 2c | 4-5-6-10(9-12)7(8)11/h2-6H2,1H3, |
45c00 | 28 48 32 2c 38 2c 31 31 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 10 f7 5e 46 50 01 00 00 09 63 | (H2,8,11)..updated_at...^FP....c |
45c20 | 72 65 61 74 65 64 5f 61 74 00 0e f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at...^FP....default_finge |
45c40 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 16 03 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 | rprint_size..........._id.V..h+r |
45c60 | ed 2b 40 00 01 6d 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .+@..m.warnings.......fingerprin |
45c80 | 74 73 00 1f 02 00 00 04 4d 50 32 44 00 14 02 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 | ts......MP2D......0.....9;1-1-19 |
45ca0 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d | ;2-1-3;2-1-9;..1.....19;1-1-3;1- |
45cc0 | 32 2d 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 | 2-9;2-1-3;2-1-9;..2.....9;1-1-19 |
45ce0 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 22 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 | ;2-1-3;2-1-9;..3."...3;1-1-3;1-1 |
45d00 | 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 34 00 1c 00 00 00 33 3b | -9;1-1-19;2-2-3;2-2-9;..4.....3; |
45d20 | 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 35 00 15 00 00 | 1-2-3;2-1-3;2-1-9;2-1-19;..5.... |
45d40 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 36 00 1c 00 00 00 33 3b 31 | .3;1-2-3;2-2-3;2-1-9;..6.....3;1 |
45d60 | 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 37 00 16 00 00 00 | -2-3;1-1-9;2-3-3;2-1-11;..7..... |
45d80 | 39 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 38 00 2a 00 00 00 33 3b 31 | 9;1-2-3;2-3-3;2-1-19;..8.*...3;1 |
45da0 | 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 33 3b 32 | -2-3;1-1-11;2-2-3;2-1-9;2-1-13;2 |
45dc0 | 2d 31 2d 31 38 3b 00 02 39 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 38 3b 32 2d 32 | -1-18;..9.....3;1-1-3;1-1-18;2-2 |
45de0 | 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 1d 00 00 00 31 38 3b 31 2d 32 2d 33 3b 32 2d 31 2d | -3;2-1-11;..10.....18;1-2-3;2-1- |
45e00 | 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 24 00 00 00 33 3b 31 2d 31 2d 36 3b | 3;2-1-6;2-1-11;..11.$...3;1-1-6; |
45e20 | 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 31 32 00 | 1-1-11;1-1-18;2-2-3;2-1-13;..12. |
45e40 | 17 00 00 00 36 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 31 33 00 24 | ....6;1-1-3;2-1-11;2-1-18;..13.$ |
45e60 | 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 | ...11;1-2-3;1-1-13;2-2-3;2-1-6;2 |
45e80 | 2d 31 2d 31 38 3b 00 02 31 34 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 | -1-18;..14.....13;1-1-11;2-2-3;. |
45ea0 | 00 00 02 73 6d 69 6c 65 73 00 1f 00 00 00 4f 3d 4e 28 3d 4f 29 63 31 63 63 63 28 6f 31 29 63 31 | ...smiles.....O=N(=O)c1ccc(o1)c1 |
45ec0 | 63 73 63 28 3d 4e 29 5b 6e 48 5d 31 00 02 69 6e 63 68 69 00 48 00 00 00 49 6e 43 68 49 3d 31 53 | csc(=N)[nH]1..inchi.H...InChI=1S |
45ee0 | 2f 43 37 48 35 4e 33 4f 33 53 2f 63 38 2d 37 2d 39 2d 34 28 33 2d 31 34 2d 37 29 35 2d 31 2d 32 | /C7H5N3O3S/c8-7-9-4(3-14-7)5-1-2 |
45f00 | 2d 36 28 31 33 2d 35 29 31 30 28 31 31 29 31 32 2f 68 31 2d 33 48 2c 28 48 32 2c 38 2c 39 29 00 | -6(13-5)10(11)12/h1-3H,(H2,8,9). |
45f20 | 09 75 70 64 61 74 65 64 5f 61 74 00 17 f7 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at...^FP....created_at. |
45f40 | 15 f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | ..^FP....default_fingerprint_siz |
45f60 | 65 00 00 00 00 00 00 60 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 6e 04 77 61 72 | e......`...._id.V..h+r.+@..n.war |
45f80 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 7a 01 00 00 04 4d 50 | nings.......fingerprints.z....MP |
45fa0 | 32 44 00 6f 01 00 00 02 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 | 2D.o....0.....32;1-1-2;2-1-3;2-1 |
45fc0 | 2d 33 32 3b 00 02 31 00 16 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 32 2d 33 32 3b 32 2d 32 2d 33 | -32;..1.....2;1-1-3;1-2-32;2-2-3 |
45fe0 | 3b 00 02 32 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 | ;..2.....32;1-1-2;2-1-3;2-1-32;. |
46000 | 02 33 00 1c 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 33 | .3.....3;1-1-2;1-2-3;2-2-3;2-2-3 |
46020 | 32 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 | 2;..4.....3;1-2-3;2-1-2;2-2-3;.. |
46040 | 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 36 00 1c | 5.....3;1-2-3;2-2-3;2-1-19;..6.. |
46060 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 | ...3;1-2-3;1-1-19;2-2-3;2-2-9;.. |
46080 | 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 38 00 15 | 7.....3;1-2-3;2-2-3;2-1-19;..8.. |
460a0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 39 00 16 00 00 00 31 | ...3;1-2-3;2-1-2;2-2-3;..9.....1 |
460c0 | 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 31 30 00 16 00 00 00 39 3b 31 | 9;1-1-3;1-2-9;2-2-3;..10.....9;1 |
460e0 | 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 31 00 16 00 00 00 39 3b 31 2d 31 | -1-19;2-1-3;2-1-9;..11.....9;1-1 |
46100 | 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 18 00 00 00 4f | -19;2-1-3;2-1-9;....smiles.....O |
46120 | 43 28 3d 4f 29 63 31 63 63 63 28 63 63 31 29 4e 28 3d 4f 29 3d 4f 00 02 69 6e 63 68 69 00 3e 00 | C(=O)c1ccc(cc1)N(=O)=O..inchi.>. |
46140 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 35 4e 4f 34 2f 63 39 2d 37 28 31 30 29 35 2d 31 2d 33 | ..InChI=1S/C7H5NO4/c9-7(10)5-1-3 |
46160 | 2d 36 28 34 2d 32 2d 35 29 38 28 31 31 29 31 32 2f 68 31 2d 34 48 2c 28 48 2c 39 2c 31 30 29 00 | -6(4-2-5)8(11)12/h1-4H,(H,9,10). |
46180 | 09 75 70 64 61 74 65 64 5f 61 74 00 1e f7 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at...^FP....created_at. |
461a0 | 1c f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | ..^FP....default_fingerprint_siz |
461c0 | 65 00 00 00 00 00 00 26 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 6f 04 77 61 72 | e......&...._id.V..h+r.+@..o.war |
461e0 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 4c 01 00 00 04 4d 50 | nings.......fingerprints.L....MP |
46200 | 32 44 00 41 01 00 00 02 30 00 18 00 00 00 31 30 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d | 2D.A....0.....10;1-1-3;2-1-11;2- |
46220 | 31 2d 31 38 3b 00 02 31 00 1e 00 00 00 33 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 31 31 3b 31 2d 31 | 1-18;..1.....3;1-1-10;1-1-11;1-1 |
46240 | 2d 31 38 3b 32 2d 32 2d 33 3b 00 02 32 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -18;2-2-3;..2.....11;1-2-3;2-2-3 |
46260 | 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 33 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | ;2-1-10;2-1-18;..3.....3;1-2-3;1 |
46280 | 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 34 00 1d 00 00 00 33 3b 31 2d 32 | -1-11;2-3-3;2-1-18;..4.....3;1-2 |
462a0 | 2d 33 3b 31 2d 31 2d 31 38 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 35 00 1e 00 00 00 31 | -3;1-1-18;2-3-3;2-1-11;..5.....1 |
462c0 | 38 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 31 3b 00 02 36 00 | 8;1-2-3;2-2-3;2-1-10;2-1-11;..6. |
462e0 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 37 00 0f 00 00 | ....3;1-2-3;2-2-3;2-1-18;..7.... |
46300 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | .3;1-2-3;2-2-3;..8.....3;1-2-3;2 |
46320 | 2d 32 2d 33 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | -2-3;..9.....3;1-2-3;2-2-3;2-1-1 |
46340 | 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 11 00 00 00 53 63 31 6e 63 32 63 28 73 31 29 63 63 63 63 | 1;....smiles.....Sc1nc2c(s1)cccc |
46360 | 32 00 02 69 6e 63 68 69 00 39 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 35 4e 53 32 2f 63 39 | 2..inchi.9...InChI=1S/C7H5NS2/c9 |
46380 | 2d 37 2d 38 2d 35 2d 33 2d 31 2d 32 2d 34 2d 36 28 35 29 31 30 2d 37 2f 68 31 2d 34 48 2c 28 48 | -7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H |
463a0 | 2c 38 2c 39 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 25 f7 5e 46 50 01 00 00 09 63 72 65 61 74 | ,8,9)..updated_at.%.^FP....creat |
463c0 | 65 64 5f 61 74 00 23 f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at.#.^FP....default_fingerpri |
463e0 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 85 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 | nt_size..........._id.V..h+r.+@. |
46400 | 01 70 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 9c | .p.warnings.......fingerprints.. |
46420 | 01 00 00 04 4d 50 32 44 00 91 01 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 | ....MP2D......0.....9;1-1-19;2-1 |
46440 | 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b | -3;2-1-9;..1.....19;1-1-3;1-2-9; |
46460 | 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 | 2-2-3;..2.....9;1-1-19;2-1-3;2-1 |
46480 | 2d 39 3b 00 02 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b | -9;..3.....3;1-2-3;1-1-19;2-2-3; |
464a0 | 32 2d 32 2d 39 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 2-2-9;..4.....3;1-2-3;2-2-3;2-1- |
464c0 | 31 39 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | 19;..5.....3;1-2-3;2-1-1;2-2-3;. |
464e0 | 02 36 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | .6.....3;1-1-1;1-2-3;2-2-3;2-1-1 |
46500 | 39 3b 00 02 37 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 | 9;..7."...3;1-2-3;1-1-19;2-1-1;2 |
46520 | 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -2-3;2-2-9;..8.....3;1-2-3;2-2-3 |
46540 | 3b 32 2d 32 2d 31 39 3b 00 02 39 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 | ;2-2-19;..9.....19;1-1-3;1-2-9;2 |
46560 | 2d 32 2d 33 3b 00 02 31 30 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 | -2-3;..10.....9;1-1-19;2-1-3;2-1 |
46580 | 2d 39 3b 00 02 31 31 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 | -9;..11.....9;1-1-19;2-1-3;2-1-9 |
465a0 | 3b 00 02 31 32 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c | ;..12.....1;1-1-3;2-2-3;....smil |
465c0 | 65 73 00 1c 00 00 00 4f 3d 4e 28 3d 4f 29 63 31 63 63 63 28 63 28 63 31 29 4e 28 3d 4f 29 3d 4f | es.....O=N(=O)c1ccc(c(c1)N(=O)=O |
465e0 | 29 43 00 02 69 6e 63 68 69 00 3d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 36 4e 32 4f 34 2f | )C..inchi.=...InChI=1S/C7H6N2O4/ |
46600 | 63 31 2d 35 2d 32 2d 33 2d 36 28 38 28 31 30 29 31 31 29 34 2d 37 28 35 29 39 28 31 32 29 31 33 | c1-5-2-3-6(8(10)11)4-7(5)9(12)13 |
46620 | 2f 68 32 2d 34 48 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 2b f7 5e 46 50 01 00 00 09 | /h2-4H,1H3..updated_at.+.^FP.... |
46640 | 63 72 65 61 74 65 64 5f 61 74 00 2a f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at.*.^FP....default_fing |
46660 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 83 02 00 00 07 5f 69 64 00 56 16 1c 68 2b | erprint_size..........._id.V..h+ |
46680 | 72 ed 2b 40 00 01 71 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.+@..q.warnings.......fingerpri |
466a0 | 6e 74 73 00 9c 01 00 00 04 4d 50 32 44 00 91 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 33 | nts......MP2D......0.....1;1-1-3 |
466c0 | 3b 32 2d 32 2d 33 3b 00 02 31 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 | ;2-2-3;..1.....3;1-1-1;1-2-3;2-2 |
466e0 | 2d 33 3b 32 2d 32 2d 31 39 3b 00 02 32 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 | -3;2-2-19;..2."...3;1-2-3;1-1-19 |
46700 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 32 | ;2-1-1;2-2-3;2-2-9;..3.....3;1-2 |
46720 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-2-3;2-1-19;..4.....3;1-2-3; |
46740 | 32 2d 32 2d 33 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 2-2-3;..5.....3;1-2-3;2-2-3;2-1- |
46760 | 31 39 3b 00 02 36 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b | 19;..6."...3;1-2-3;1-1-19;2-1-1; |
46780 | 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 37 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 | 2-2-3;2-2-9;..7.....19;1-1-3;1-2 |
467a0 | 2d 39 3b 32 2d 32 2d 33 3b 00 02 38 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b | -9;2-2-3;..8.....9;1-1-19;2-1-3; |
467c0 | 32 2d 31 2d 39 3b 00 02 39 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 | 2-1-9;..9.....9;1-1-19;2-1-3;2-1 |
467e0 | 2d 39 3b 00 02 31 30 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 | -9;..10.....19;1-1-3;1-2-9;2-2-3 |
46800 | 3b 00 02 31 31 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 | ;..11.....9;1-1-19;2-1-3;2-1-9;. |
46820 | 02 31 32 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 | .12.....9;1-1-19;2-1-3;2-1-9;... |
46840 | 02 73 6d 69 6c 65 73 00 1a 00 00 00 43 63 31 63 28 63 63 63 63 31 4e 28 3d 4f 29 3d 4f 29 4e 28 | .smiles.....Cc1c(cccc1N(=O)=O)N( |
46860 | 3d 4f 29 3d 4f 00 02 69 6e 63 68 69 00 3d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 36 4e 32 | =O)=O..inchi.=...InChI=1S/C7H6N2 |
46880 | 4f 34 2f 63 31 2d 35 2d 36 28 38 28 31 30 29 31 31 29 33 2d 32 2d 34 2d 37 28 35 29 39 28 31 32 | O4/c1-5-6(8(10)11)3-2-4-7(5)9(12 |
468a0 | 29 31 33 2f 68 32 2d 34 48 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 31 f7 5e 46 50 01 | )13/h2-4H,1H3..updated_at.1.^FP. |
468c0 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 30 f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at.0.^FP....default_f |
468e0 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 14 03 00 00 07 5f 69 64 00 56 16 | ingerprint_size..........._id.V. |
46900 | 1c 68 2b 72 ed 2b 40 00 01 72 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | .h+r.+@..r.warnings.......finger |
46920 | 70 72 69 6e 74 73 00 19 02 00 00 04 4d 50 32 44 00 0e 02 00 00 02 30 00 10 00 00 00 35 3b 31 2d | prints......MP2D......0.....5;1- |
46940 | 31 2d 31 39 3b 32 2d 31 2d 33 3b 00 02 31 00 1e 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d | 1-19;2-1-3;..1.....19;1-1-3;1-1- |
46960 | 35 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 32 00 24 00 00 00 33 3b 31 2d 31 2d 31 31 | 5;2-1-11;2-1-18;..2.$...3;1-1-11 |
46980 | 3b 31 2d 31 2d 31 38 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 00 02 33 00 1e | ;1-1-18;1-1-19;2-2-3;2-1-5;..3.. |
469a0 | 00 00 00 31 38 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b | ...18;1-2-3;2-1-3;2-1-11;2-1-19; |
469c0 | 00 02 34 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 33 3b 32 2d 31 | ..4.....3;1-1-3;1-1-18;2-2-3;2-1 |
469e0 | 2d 31 31 3b 00 02 35 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 | -11;..5.#...3;1-2-3;1-1-11;2-2-3 |
46a00 | 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 38 3b 00 02 36 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 | ;2-1-9;2-1-18;..6.....11;1-2-3;2 |
46a20 | 2d 32 2d 33 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 31 39 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 32 | -2-3;2-1-18;2-1-19;..7.....3;1-2 |
46a40 | 2d 33 3b 31 2d 31 2d 39 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 15 00 00 00 33 3b | -3;1-1-9;2-3-3;2-1-11;..8.....3; |
46a60 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 39 00 1c 00 00 00 33 3b 31 2d 32 2d | 1-2-3;2-2-3;2-1-9;..9.....3;1-2- |
46a80 | 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 22 00 00 00 33 3b | 3;2-1-3;2-1-9;2-1-19;..10."...3; |
46aa0 | 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 | 1-1-3;1-1-9;1-1-19;2-2-3;2-2-9;. |
46ac0 | 02 31 31 00 16 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 | .11.....9;1-2-3;2-3-3;2-1-19;..1 |
46ae0 | 32 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 | 2.....19;1-1-3;1-2-9;2-1-3;2-1-9 |
46b00 | 3b 00 02 31 33 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 | ;..13.....9;1-1-19;2-1-3;2-1-9;. |
46b20 | 02 31 34 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 | .14.....9;1-1-19;2-1-3;2-1-9;... |
46b40 | 02 73 6d 69 6c 65 73 00 1c 00 00 00 4e 4e 63 31 73 63 63 28 6e 31 29 63 31 63 63 63 28 6f 31 29 | .smiles.....NNc1scc(n1)c1ccc(o1) |
46b60 | 4e 28 3d 4f 29 3d 4f 00 02 69 6e 63 68 69 00 4f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 36 | N(=O)=O..inchi.O...InChI=1S/C7H6 |
46b80 | 4e 34 4f 33 53 2f 63 38 2d 31 30 2d 37 2d 39 2d 34 28 33 2d 31 35 2d 37 29 35 2d 31 2d 32 2d 36 | N4O3S/c8-10-7-9-4(3-15-7)5-1-2-6 |
46ba0 | 28 31 34 2d 35 29 31 31 28 31 32 29 31 33 2f 68 31 2d 33 48 2c 38 48 32 2c 28 48 2c 39 2c 31 30 | (14-5)11(12)13/h1-3H,8H2,(H,9,10 |
46bc0 | 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 38 f7 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | )..updated_at.8.^FP....created_a |
46be0 | 74 00 37 f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t.7.^FP....default_fingerprint_s |
46c00 | 69 7a 65 00 00 00 00 00 00 6e 03 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 73 04 77 | ize......n...._id.V..h+r.+@..s.w |
46c20 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 61 02 00 00 04 | arnings.......fingerprints.a.... |
46c40 | 4d 50 32 44 00 56 02 00 00 02 30 00 10 00 00 00 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 | MP2D.V....0.....6;1-1-3;2-2-11;. |
46c60 | 02 31 00 1d 00 00 00 33 3b 31 2d 31 2d 36 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d | .1.....3;1-1-6;1-2-11;2-2-3;2-1- |
46c80 | 31 33 3b 00 02 32 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 32 2d 36 | 13;..2.....11;1-2-3;1-1-13;2-2-6 |
46ca0 | 3b 32 2d 32 2d 31 31 3b 00 02 33 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b | ;2-2-11;..3.....13;1-1-11;2-2-3; |
46cc0 | 00 02 34 00 1d 00 00 00 33 3b 31 2d 31 2d 36 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 32 | ..4.....3;1-1-6;1-2-11;2-2-3;2-2 |
46ce0 | 2d 31 33 3b 00 02 35 00 10 00 00 00 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 36 00 24 | -13;..5.....6;1-1-3;2-2-11;..6.$ |
46d00 | 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 | ...11;1-2-3;1-1-13;2-1-3;2-1-6;2 |
46d20 | 2d 32 2d 31 31 3b 00 02 37 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 | -2-11;..7.....13;1-1-11;2-2-3;.. |
46d40 | 38 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 32 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 | 8.#...3;1-1-3;1-2-11;2-3-3;2-1-9 |
46d60 | 3b 32 2d 31 2d 31 33 3b 00 02 39 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 | ;2-1-13;..9.....11;1-2-3;2-1-3;2 |
46d80 | 2d 31 2d 36 3b 32 2d 32 2d 31 31 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | -1-6;2-2-11;..10.....3;1-2-3;1-1 |
46da0 | 2d 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 | -9;2-2-3;2-2-11;..11.....3;1-2-3 |
46dc0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-3;2-1-9;..12.....3;1-2-3;2- |
46de0 | 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 22 00 00 00 33 3b 31 2d 31 2d | 1-3;2-1-9;2-1-19;..13."...3;1-1- |
46e00 | 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 34 00 | 3;1-1-9;1-1-19;2-2-3;2-2-9;..14. |
46e20 | 16 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 35 00 1c 00 | ....9;1-2-3;2-3-3;2-1-19;..15... |
46e40 | 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 | ..19;1-1-3;1-2-9;2-1-3;2-1-9;..1 |
46e60 | 36 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 37 00 | 6.....9;1-1-19;2-1-3;2-1-9;..17. |
46e80 | 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 | ....9;1-1-19;2-1-3;2-1-9;....smi |
46ea0 | 6c 65 73 00 27 00 00 00 4e 3d 63 31 5b 6e 48 5d 63 28 3d 4e 29 5b 6e 48 5d 63 28 6e 31 29 63 31 | les.'...N=c1[nH]c(=N)[nH]c(n1)c1 |
46ec0 | 63 63 63 28 6f 31 29 4e 28 3d 4f 29 3d 4f 00 02 69 6e 63 68 69 00 56 00 00 00 49 6e 43 68 49 3d | ccc(o1)N(=O)=O..inchi.V...InChI= |
46ee0 | 31 53 2f 43 37 48 36 4e 36 4f 33 2f 63 38 2d 36 2d 31 30 2d 35 28 31 31 2d 37 28 39 29 31 32 2d | 1S/C7H6N6O3/c8-6-10-5(11-7(9)12- |
46f00 | 36 29 33 2d 31 2d 32 2d 34 28 31 36 2d 33 29 31 33 28 31 34 29 31 35 2f 68 31 2d 32 48 2c 28 48 | 6)3-1-2-4(16-3)13(14)15/h1-2H,(H |
46f20 | 34 2c 38 2c 39 2c 31 30 2c 31 31 2c 31 32 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 3f f7 5e 46 | 4,8,9,10,11,12)..updated_at.?.^F |
46f40 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 3d f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at.=.^FP....default |
46f60 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 17 02 00 00 07 5f 69 64 00 | _fingerprint_size..........._id. |
46f80 | 56 16 1c 68 2b 72 ed 2b 40 00 01 74 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..h+r.+@..t.warnings.......fing |
46fa0 | 65 72 70 72 69 6e 74 73 00 40 01 00 00 04 4d 50 32 44 00 35 01 00 00 02 30 00 0f 00 00 00 38 3b | erprints.@....MP2D.5....0.....8; |
46fc0 | 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 1-1-3;2-2-3;..1.....3;1-2-3;1-1- |
46fe0 | 38 3b 32 2d 32 2d 33 3b 00 02 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | 8;2-2-3;..2.....3;1-2-3;2-2-3;2- |
47000 | 31 2d 38 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b | 1-8;..3.....3;1-2-3;2-2-3;2-1-8; |
47020 | 00 02 34 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d | ..4.!...3;1-2-3;1-1-8;2-1-1;2-2- |
47040 | 33 3b 32 2d 31 2d 38 3b 00 02 35 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d | 3;2-1-8;..5.!...3;1-2-3;1-1-8;2- |
47060 | 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | 1-1;2-2-3;2-1-8;..6.....3;1-2-3; |
47080 | 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b 00 02 37 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 2-2-3;2-2-8;..7.....8;1-1-1;1-1- |
470a0 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 32 2d 38 3b 32 2d | 3;2-2-3;2-1-8;..8.....1;1-2-8;2- |
470c0 | 32 2d 33 3b 00 02 39 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b | 2-3;..9.....8;1-1-1;1-1-3;2-2-3; |
470e0 | 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 11 00 00 00 4f 63 31 63 63 63 32 63 28 63 31 | 2-1-8;....smiles.....Oc1ccc2c(c1 |
47100 | 29 4f 43 4f 32 00 02 69 6e 63 68 69 00 36 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 36 4f 33 | )OCO2..inchi.6...InChI=1S/C7H6O3 |
47120 | 2f 63 38 2d 35 2d 31 2d 32 2d 36 2d 37 28 33 2d 35 29 31 30 2d 34 2d 39 2d 36 2f 68 31 2d 33 2c | /c8-5-1-2-6-7(3-5)10-4-9-6/h1-3, |
47140 | 38 48 2c 34 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 45 f7 5e 46 50 01 00 00 09 63 72 65 61 | 8H,4H2..updated_at.E.^FP....crea |
47160 | 74 65 64 5f 61 74 00 43 f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at.C.^FP....default_fingerpr |
47180 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 3c 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 | int_size......<...._id.V..h+r.+@ |
471a0 | 00 01 75 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 | ..u.warnings.......fingerprints. |
471c0 | 62 01 00 00 04 4d 50 32 44 00 57 01 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 | b....MP2D.W....0.....9;1-1-6;2-1 |
471e0 | 2d 31 39 3b 00 02 31 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 | -19;..1.....6;1-1-9;1-1-19;2-1-1 |
47200 | 3b 32 2d 31 2d 33 3b 00 02 32 00 22 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d | ;2-1-3;..2."...19;1-1-1;1-1-3;1- |
47220 | 31 2d 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b | 1-6;2-2-3;2-1-9;..3."...3;1-2-3; |
47240 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 34 00 16 00 00 | 1-1-19;2-1-1;2-2-3;2-1-6;..4.... |
47260 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 35 00 16 00 00 00 33 3b | .3;1-2-3;2-2-3;2-1-19;..5.....3; |
47280 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 | 1-2-3;2-2-3;2-1-16;..6.....3;1-2 |
472a0 | 2d 33 3b 31 2d 31 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;1-1-16;2-2-3;..7.....3;1-2-3; |
472c0 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 2-2-3;2-1-16;..8.....3;1-2-3;2-2 |
472e0 | 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 39 00 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | -3;2-1-19;..9.....16;1-1-3;2-2-3 |
47300 | 3b 00 02 31 30 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 00 | ;..10.....1;1-1-19;2-1-3;2-1-6;. |
47320 | 00 00 02 73 6d 69 6c 65 73 00 13 00 00 00 4f 3d 4e 4e 28 63 31 63 63 63 28 63 63 31 29 46 29 43 | ...smiles.....O=NN(c1ccc(cc1)F)C |
47340 | 00 02 69 6e 63 68 69 00 37 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 37 46 4e 32 4f 2f 63 31 | ..inchi.7...InChI=1S/C7H7FN2O/c1 |
47360 | 2d 31 30 28 39 2d 31 31 29 37 2d 34 2d 32 2d 36 28 38 29 33 2d 35 2d 37 2f 68 32 2d 35 48 2c 31 | -10(9-11)7-4-2-6(8)3-5-7/h2-5H,1 |
47380 | 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 4b f7 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | H3..updated_at.K.^FP....created_ |
473a0 | 61 74 00 49 f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at.I.^FP....default_fingerprint_ |
473c0 | 73 69 7a 65 00 00 00 00 00 00 60 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 76 04 | size......`...._id.V..h+r.+@..v. |
473e0 | 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 81 01 00 00 | warnings.......fingerprints..... |
47400 | 04 4d 50 32 44 00 76 01 00 00 02 30 00 0f 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 33 3b 00 | .MP2D.v....0.....9;1-1-6;2-1-3;. |
47420 | 02 31 00 15 00 00 00 36 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 00 02 32 00 1b | .1.....6;1-1-3;1-1-9;2-2-3;..2.. |
47440 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 | ...3;1-2-3;1-1-6;2-2-3;2-1-9;..3 |
47460 | 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 34 00 16 00 00 | .....3;1-2-3;2-2-3;2-1-6;..4.... |
47480 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 35 00 22 00 00 00 33 3b | .3;1-2-3;2-2-3;2-1-19;..5."...3; |
474a0 | 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 | 1-2-3;1-1-19;2-1-1;2-2-3;2-1-6;. |
474c0 | 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 | .6.....3;1-2-3;2-2-3;2-1-19;..7. |
474e0 | 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 38 00 22 00 00 00 | ....3;1-2-3;2-2-3;2-1-6;..8."... |
47500 | 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 | 19;1-1-1;1-1-3;1-1-6;2-2-3;2-1-9 |
47520 | 3b 00 02 39 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d | ;..9.....6;1-1-9;1-1-19;2-1-1;2- |
47540 | 31 2d 33 3b 00 02 31 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 31 | 1-3;..10.....9;1-1-6;2-1-19;..11 |
47560 | 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d | .....1;1-1-19;2-1-3;2-1-6;....sm |
47580 | 69 6c 65 73 00 15 00 00 00 4f 3d 4e 63 31 63 63 63 28 63 63 31 29 4e 28 4e 3d 4f 29 43 00 02 69 | iles.....O=Nc1ccc(cc1)N(N=O)C..i |
475a0 | 6e 63 68 69 00 3a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 37 4e 33 4f 32 2f 63 31 2d 31 30 | nchi.:...InChI=1S/C7H7N3O2/c1-10 |
475c0 | 28 39 2d 31 32 29 37 2d 34 2d 32 2d 36 28 38 2d 31 31 29 33 2d 35 2d 37 2f 68 32 2d 35 48 2c 31 | (9-12)7-4-2-6(8-11)3-5-7/h2-5H,1 |
475e0 | 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 50 f7 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | H3..updated_at.P.^FP....created_ |
47600 | 61 74 00 4f f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at.O.^FP....default_fingerprint_ |
47620 | 73 69 7a 65 00 00 00 00 00 00 d2 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 77 04 | size..........._id.V..h+r.+@..w. |
47640 | 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 06 01 00 00 | warnings.......fingerprints..... |
47660 | 04 4d 50 32 44 00 fb 00 00 00 02 30 00 0f 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 33 3b 00 | .MP2D......0.....9;1-1-6;2-1-3;. |
47680 | 02 31 00 15 00 00 00 36 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 00 02 32 00 21 | .1.....6;1-1-3;1-1-9;2-2-3;..2.! |
476a0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 | ...3;1-2-3;1-1-6;2-1-1;2-2-3;2-1 |
476c0 | 2d 39 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 | -9;..3.....3;1-2-3;2-2-3;2-1-6;. |
476e0 | 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 | .4.....3;1-2-3;2-2-3;..5.....3;1 |
47700 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 | -2-3;2-2-3;..6.....3;1-2-3;2-1-1 |
47720 | 3b 32 2d 32 2d 33 3b 00 02 37 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 | ;2-2-3;..7.....3;1-1-1;1-2-3;2-2 |
47740 | 2d 33 3b 32 2d 31 2d 36 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | -3;2-1-6;..8.....1;1-1-3;2-2-3;. |
47760 | 00 00 02 73 6d 69 6c 65 73 00 0d 00 00 00 4f 3d 4e 63 31 63 63 63 63 63 31 43 00 02 69 6e 63 68 | ...smiles.....O=Nc1ccccc1C..inch |
47780 | 69 00 2f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 37 4e 4f 2f 63 31 2d 36 2d 34 2d 32 2d 33 | i./...InChI=1S/C7H7NO/c1-6-4-2-3 |
477a0 | 2d 35 2d 37 28 36 29 38 2d 39 2f 68 32 2d 35 48 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 | -5-7(6)8-9/h2-5H,1H3..updated_at |
477c0 | 00 56 f7 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 55 f7 5e 46 50 01 00 00 10 64 65 | .V.^FP....created_at.U.^FP....de |
477e0 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 04 02 00 00 | fault_fingerprint_size.......... |
47800 | 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 78 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V..h+r.+@..x.warnings...... |
47820 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 2e 01 00 00 04 4d 50 32 44 00 23 01 00 00 02 30 00 0f | .fingerprints......MP2D.#....0.. |
47840 | 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 15 00 00 00 33 3b 31 2d 31 2d 31 | ...1;1-1-3;2-2-3;..1.....3;1-1-1 |
47860 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | ;1-2-3;2-2-3;..2.....3;1-2-3;2-1 |
47880 | 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | -1;2-2-3;..3.....3;1-2-3;2-2-3;2 |
478a0 | 2d 31 2d 31 39 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 | -1-19;..4.....3;1-2-3;1-1-19;2-2 |
478c0 | 2d 33 3b 32 2d 32 2d 39 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | -3;2-2-9;..5.....3;1-2-3;2-2-3;2 |
478e0 | 2d 31 2d 31 39 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | -1-19;..6.....3;1-2-3;2-1-1;2-2- |
47900 | 33 3b 00 02 37 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 | 3;..7.....19;1-1-3;1-2-9;2-2-3;. |
47920 | 02 38 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 39 00 | .8.....9;1-1-19;2-1-3;2-1-9;..9. |
47940 | 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 | ....9;1-1-19;2-1-3;2-1-9;....smi |
47960 | 6c 65 73 00 13 00 00 00 43 63 31 63 63 63 28 63 63 31 29 4e 28 3d 4f 29 3d 4f 00 02 69 6e 63 68 | les.....Cc1ccc(cc1)N(=O)=O..inch |
47980 | 69 00 33 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 37 4e 4f 32 2f 63 31 2d 36 2d 32 2d 34 2d | i.3...InChI=1S/C7H7NO2/c1-6-2-4- |
479a0 | 37 28 35 2d 33 2d 36 29 38 28 39 29 31 30 2f 68 32 2d 35 48 2c 31 48 33 00 09 75 70 64 61 74 65 | 7(5-3-6)8(9)10/h2-5H,1H3..update |
479c0 | 64 5f 61 74 00 5c f7 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 5b f7 5e 46 50 01 00 | d_at.\.^FP....created_at.[.^FP.. |
479e0 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 | ..default_fingerprint_size...... |
47a00 | 02 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 79 04 77 61 72 6e 69 6e 67 73 00 05 | ....._id.V..h+r.+@..y.warnings.. |
47a20 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 2e 01 00 00 04 4d 50 32 44 00 23 01 00 00 | .....fingerprints......MP2D.#... |
47a40 | 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 00 | .0.....9;1-1-19;2-1-3;2-1-9;..1. |
47a60 | 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 | ....19;1-1-3;1-2-9;2-2-3;..2.... |
47a80 | 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 22 00 00 00 33 3b | .9;1-1-19;2-1-3;2-1-9;..3."...3; |
47aa0 | 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 | 1-2-3;1-1-19;2-1-1;2-2-3;2-2-9;. |
47ac0 | 02 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 35 00 | .4.....3;1-2-3;2-2-3;2-1-19;..5. |
47ae0 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d | ....3;1-2-3;2-2-3;..6.....3;1-2- |
47b00 | 33 3b 32 2d 32 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | 3;2-2-3;..7.....3;1-2-3;2-1-1;2- |
47b20 | 32 2d 33 3b 00 02 38 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | 2-3;..8.....3;1-1-1;1-2-3;2-2-3; |
47b40 | 32 2d 31 2d 31 39 3b 00 02 39 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 | 2-1-19;..9.....1;1-1-3;2-2-3;... |
47b60 | 02 73 6d 69 6c 65 73 00 11 00 00 00 4f 3d 4e 28 3d 4f 29 63 31 63 63 63 63 63 31 43 00 02 69 6e | .smiles.....O=N(=O)c1ccccc1C..in |
47b80 | 63 68 69 00 33 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 37 4e 4f 32 2f 63 31 2d 36 2d 34 2d | chi.3...InChI=1S/C7H7NO2/c1-6-4- |
47ba0 | 32 2d 33 2d 35 2d 37 28 36 29 38 28 39 29 31 30 2f 68 32 2d 35 48 2c 31 48 33 00 09 75 70 64 61 | 2-3-5-7(6)8(9)10/h2-5H,1H3..upda |
47bc0 | 74 65 64 5f 61 74 00 62 f7 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 61 f7 5e 46 50 | ted_at.b.^FP....created_at.a.^FP |
47be0 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
47c00 | 00 00 29 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 7a 04 77 61 72 6e 69 6e 67 73 | ..)...._id.V..h+r.+@..z.warnings |
47c20 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 51 01 00 00 04 4d 50 32 44 00 46 01 | .......fingerprints.Q....MP2D.F. |
47c40 | 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 38 | ...0.....1;1-1-8;2-1-3;..1.....8 |
47c60 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 22 00 00 00 33 3b 31 2d 32 | ;1-1-1;1-1-3;2-2-3;..2."...3;1-2 |
47c80 | 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 | -3;1-1-8;2-1-1;2-2-3;2-1-19;..3. |
47ca0 | 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 0f 00 00 00 | ....3;1-2-3;2-2-3;2-1-8;..4..... |
47cc0 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 3;1-2-3;2-2-3;..5.....3;1-2-3;2- |
47ce0 | 32 2d 33 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 | 2-3;..6.....3;1-2-3;2-2-3;2-1-19 |
47d00 | 3b 00 02 37 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d | ;..7."...3;1-2-3;1-1-19;2-2-3;2- |
47d20 | 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 38 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 | 1-8;2-2-9;..8.....19;1-1-3;1-2-9 |
47d40 | 3b 32 2d 32 2d 33 3b 00 02 39 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d | ;2-2-3;..9.....9;1-1-19;2-1-3;2- |
47d60 | 31 2d 39 3b 00 02 31 30 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d | 1-9;..10.....9;1-1-19;2-1-3;2-1- |
47d80 | 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 12 00 00 00 43 4f 63 31 63 63 63 63 63 31 4e 28 3d 4f 29 | 9;....smiles.....COc1ccccc1N(=O) |
47da0 | 3d 4f 00 02 69 6e 63 68 69 00 36 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 37 4e 4f 33 2f 63 | =O..inchi.6...InChI=1S/C7H7NO3/c |
47dc0 | 31 2d 31 31 2d 37 2d 35 2d 33 2d 32 2d 34 2d 36 28 37 29 38 28 39 29 31 30 2f 68 32 2d 35 48 2c | 1-11-7-5-3-2-4-6(7)8(9)10/h2-5H, |
47de0 | 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 68 f7 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 | 1H3..updated_at.h.^FP....created |
47e00 | 5f 61 74 00 67 f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at.g.^FP....default_fingerprint |
47e20 | 5f 73 69 7a 65 00 00 00 00 00 00 7f 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 7b | _size..........._id.V..h+r.+@..{ |
47e40 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 bc 00 00 | .warnings.......fingerprints.... |
47e60 | 00 04 4d 50 32 44 00 b1 00 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b | ..MP2D......0.....1;1-1-3;2-2-3; |
47e80 | 00 02 31 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 | ..1.....3;1-1-1;1-2-3;2-2-3;..2. |
47ea0 | 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 0f 00 00 00 | ....3;1-2-3;2-1-1;2-2-3;..3..... |
47ec0 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 3;1-2-3;2-2-3;..4.....3;1-2-3;2- |
47ee0 | 32 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 | 2-3;..5.....3;1-2-3;2-2-3;..6... |
47f00 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 | ..3;1-2-3;2-1-1;2-2-3;....smiles |
47f20 | 00 0a 00 00 00 43 63 31 63 63 63 63 63 31 00 02 69 6e 63 68 69 00 29 00 00 00 49 6e 43 68 49 3d | .....Cc1ccccc1..inchi.)...InChI= |
47f40 | 31 53 2f 43 37 48 38 2f 63 31 2d 37 2d 35 2d 33 2d 32 2d 34 2d 36 2d 37 2f 68 32 2d 36 48 2c 31 | 1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1 |
47f60 | 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 6e f7 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | H3..updated_at.n.^FP....created_ |
47f80 | 61 74 00 6d f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at.m.^FP....default_fingerprint_ |
47fa0 | 73 69 7a 65 00 00 00 00 00 00 08 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 7c 04 | size..........._id.V..h+r.+@..|. |
47fc0 | 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 35 01 00 00 | warnings.......fingerprints.5... |
47fe0 | 04 4d 50 32 44 00 2a 01 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b | .MP2D.*....0.....9;1-1-6;2-1-19; |
48000 | 00 02 31 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 | ..1.....6;1-1-9;1-1-19;2-1-1;2-1 |
48020 | 2d 33 3b 00 02 32 00 22 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b | -3;..2."...19;1-1-1;1-1-3;1-1-6; |
48040 | 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 2-2-3;2-1-9;..3."...3;1-2-3;1-1- |
48060 | 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 34 00 16 00 00 00 33 3b 31 | 19;2-1-1;2-2-3;2-1-6;..4.....3;1 |
48080 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d | -2-3;2-2-3;2-1-19;..5.....3;1-2- |
480a0 | 33 3b 32 2d 32 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 | 3;2-2-3;..6.....3;1-2-3;2-2-3;.. |
480c0 | 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 16 00 00 00 33 3b 31 2d | 7.....3;1-2-3;2-2-3;..8.....3;1- |
480e0 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 39 00 16 00 00 00 31 3b 31 2d 31 2d 31 | 2-3;2-2-3;2-1-19;..9.....1;1-1-1 |
48100 | 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 10 00 00 00 4f 3d 4e | 9;2-1-3;2-1-6;....smiles.....O=N |
48120 | 4e 28 63 31 63 63 63 63 63 31 29 43 00 02 69 6e 63 68 69 00 33 00 00 00 49 6e 43 68 49 3d 31 53 | N(c1ccccc1)C..inchi.3...InChI=1S |
48140 | 2f 43 37 48 38 4e 32 4f 2f 63 31 2d 39 28 38 2d 31 30 29 37 2d 35 2d 33 2d 32 2d 34 2d 36 2d 37 | /C7H8N2O/c1-9(8-10)7-5-3-2-4-6-7 |
48160 | 2f 68 32 2d 36 48 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 74 f7 5e 46 50 01 00 00 09 | /h2-6H,1H3..updated_at.t.^FP.... |
48180 | 63 72 65 61 74 65 64 5f 61 74 00 72 f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at.r.^FP....default_fing |
481a0 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 5a 02 00 00 07 5f 69 64 00 56 16 1c 68 2b | erprint_size......Z...._id.V..h+ |
481c0 | 72 ed 2b 40 00 01 7d 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.+@..}.warnings.......fingerpri |
481e0 | 6e 74 73 00 77 01 00 00 04 4d 50 32 44 00 6c 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 | nts.w....MP2D.l....0.....1;1-1-8 |
48200 | 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 | ;2-1-3;..1.....8;1-1-1;1-1-3;2-2 |
48220 | 2d 33 3b 00 02 32 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 | -3;..2."...3;1-2-3;1-1-8;2-1-1;2 |
48240 | 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -2-3;2-1-19;..3.....3;1-2-3;2-2- |
48260 | 33 3b 32 2d 31 2d 38 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | 3;2-1-8;..4.....3;1-2-3;2-2-3;2- |
48280 | 31 2d 31 39 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d | 1-19;..5.....3;1-2-3;1-1-19;2-2- |
482a0 | 33 3b 32 2d 32 2d 39 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | 3;2-2-9;..6.....3;1-2-3;2-2-3;2- |
482c0 | 32 2d 31 39 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d | 2-19;..7.....3;1-2-3;1-1-19;2-2- |
482e0 | 33 3b 32 2d 31 2d 38 3b 00 02 38 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | 3;2-1-8;..8.....19;1-1-3;2-2-3;. |
48300 | 02 39 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 31 30 | .9.....19;1-1-3;1-2-9;2-2-3;..10 |
48320 | 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 31 00 16 | .....9;1-1-19;2-1-3;2-1-9;..11.. |
48340 | 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c | ...9;1-1-19;2-1-3;2-1-9;....smil |
48360 | 65 73 00 15 00 00 00 43 4f 63 31 63 63 63 28 63 63 31 4e 29 4e 28 3d 4f 29 3d 4f 00 02 69 6e 63 | es.....COc1ccc(cc1N)N(=O)=O..inc |
48380 | 68 69 00 3e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 38 4e 32 4f 33 2f 63 31 2d 31 32 2d 37 | hi.>...InChI=1S/C7H8N2O3/c1-12-7 |
483a0 | 2d 33 2d 32 2d 35 28 39 28 31 30 29 31 31 29 34 2d 36 28 37 29 38 2f 68 32 2d 34 48 2c 38 48 32 | -3-2-5(9(10)11)4-6(7)8/h2-4H,8H2 |
483c0 | 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 7a f7 5e 46 50 01 00 00 09 63 72 65 61 74 65 | ,1H3..updated_at.z.^FP....create |
483e0 | 64 5f 61 74 00 78 f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.x.^FP....default_fingerprin |
48400 | 74 5f 73 69 7a 65 00 00 00 00 00 00 df 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 | t_size..........._id.V..h+r.+@.. |
48420 | 7e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 0c 01 | ~.warnings.......fingerprints... |
48440 | 00 00 04 4d 50 32 44 00 01 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | ...MP2D......0.....1;1-1-3;2-2-3 |
48460 | 3b 00 02 31 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 | ;..1.....3;1-1-1;1-2-3;2-2-3;..2 |
48480 | 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 15 00 00 | .....3;1-2-3;2-1-1;2-2-3;..3.... |
484a0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 1b 00 00 00 33 3b 31 | .3;1-2-3;2-2-3;2-1-8;..4.....3;1 |
484c0 | 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 00 1b 00 00 00 33 | -2-3;1-1-8;2-2-3;2-1-8;..5.....3 |
484e0 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 1b 00 00 | ;1-2-3;1-1-8;2-2-3;2-1-8;..6.... |
48500 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 0f | .3;1-2-3;2-1-1;2-2-3;2-1-8;..7.. |
48520 | 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 00 38 3b 31 2d 31 2d 33 | ...8;1-1-3;2-2-3;..8.....8;1-1-3 |
48540 | 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 10 00 00 00 43 63 31 63 63 63 28 63 28 63 | ;2-2-3;....smiles.....Cc1ccc(c(c |
48560 | 31 29 4f 29 4f 00 02 69 6e 63 68 69 00 33 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 38 4f 32 | 1)O)O..inchi.3...InChI=1S/C7H8O2 |
48580 | 2f 63 31 2d 35 2d 32 2d 33 2d 36 28 38 29 37 28 39 29 34 2d 35 2f 68 32 2d 34 2c 38 2d 39 48 2c | /c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H, |
485a0 | 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 7f f7 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 | 1H3..updated_at...^FP....created |
485c0 | 5f 61 74 00 7e f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at.~.^FP....default_fingerprint |
485e0 | 5f 73 69 7a 65 00 00 00 00 00 00 d5 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 7f | _size..........._id.V..h+r.+@... |
48600 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 06 01 00 | .warnings.......fingerprints.... |
48620 | 00 04 4d 50 32 44 00 fb 00 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b | ..MP2D......0.....1;1-1-8;2-1-3; |
48640 | 00 02 31 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 | ..1.....8;1-1-1;1-1-3;2-2-3;..2. |
48660 | 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 | ....3;1-2-3;1-1-8;2-1-1;2-2-3;.. |
48680 | 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 15 00 | 3.....3;1-2-3;2-2-3;2-1-8;..4... |
486a0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 00 15 00 00 00 33 3b | ..3;1-2-3;2-2-3;2-1-8;..5.....3; |
486c0 | 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d | 1-2-3;1-1-8;2-2-3;..6.....3;1-2- |
486e0 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 3;2-2-3;2-1-8;..7.....3;1-2-3;2- |
48700 | 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b | 2-3;2-1-8;..8.....8;1-1-3;2-2-3; |
48720 | 00 00 00 02 73 6d 69 6c 65 73 00 0e 00 00 00 43 4f 63 31 63 63 63 28 63 63 31 29 4f 00 02 69 6e | ....smiles.....COc1ccc(cc1)O..in |
48740 | 63 68 69 00 31 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 38 4f 32 2f 63 31 2d 39 2d 37 2d 34 | chi.1...InChI=1S/C7H8O2/c1-9-7-4 |
48760 | 2d 32 2d 36 28 38 29 33 2d 35 2d 37 2f 68 32 2d 35 2c 38 48 2c 31 48 33 00 09 75 70 64 61 74 65 | -2-6(8)3-5-7/h2-5,8H,1H3..update |
48780 | 64 5f 61 74 00 85 f7 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 84 f7 5e 46 50 01 00 | d_at...^FP....created_at...^FP.. |
487a0 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 | ..default_fingerprint_size...... |
487c0 | b3 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 80 04 77 61 72 6e 69 6e 67 73 00 05 | ....._id.V..h+r.+@....warnings.. |
487e0 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 e8 00 00 00 04 4d 50 32 44 00 dd 00 00 00 | .....fingerprints......MP2D..... |
48800 | 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 1c 00 00 00 33 3b 31 | .0.....1;1-1-3;2-2-3;..1.....3;1 |
48820 | 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 32 00 15 00 00 00 | -1-1;1-2-3;2-2-3;2-1-19;..2..... |
48840 | 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d | 3;1-2-3;2-1-1;2-2-3;..3.....3;1- |
48860 | 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | 2-3;2-2-3;..4.....3;1-2-3;2-2-3; |
48880 | 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 36 | ..5.....3;1-2-3;2-2-3;2-1-19;..6 |
488a0 | 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | .....3;1-2-3;1-1-19;2-1-1;2-2-3; |
488c0 | 00 02 37 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 | ..7.....19;1-1-3;2-2-3;....smile |
488e0 | 73 00 0b 00 00 00 43 63 31 63 63 63 63 63 31 4e 00 02 69 6e 63 68 69 00 30 00 00 00 49 6e 43 68 | s.....Cc1ccccc1N..inchi.0...InCh |
48900 | 49 3d 31 53 2f 43 37 48 39 4e 2f 63 31 2d 36 2d 34 2d 32 2d 33 2d 35 2d 37 28 36 29 38 2f 68 32 | I=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2 |
48920 | 2d 35 48 2c 38 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 8b f7 5e 46 50 01 00 00 | -5H,8H2,1H3..updated_at...^FP... |
48940 | 09 63 72 65 61 74 65 64 5f 61 74 00 89 f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at...^FP....default_fin |
48960 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 d9 01 00 00 07 5f 69 64 00 56 16 1c 68 | gerprint_size..........._id.V..h |
48980 | 2b 72 ed 2b 40 00 01 81 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.+@....warnings.......fingerpr |
489a0 | 69 6e 74 73 00 0a 01 00 00 04 4d 50 32 44 00 ff 00 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d | ints......MP2D......0.....1;1-1- |
489c0 | 38 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d | 8;2-1-3;..1.....8;1-1-1;1-1-3;2- |
489e0 | 32 2d 33 3b 00 02 32 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b | 2-3;..2."...3;1-2-3;1-1-8;2-1-1; |
48a00 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 2-2-3;2-1-19;..3.....3;1-2-3;2-2 |
48a20 | 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | -3;2-1-8;..4.....3;1-2-3;2-2-3;. |
48a40 | 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 16 00 00 00 33 3b 31 | .5.....3;1-2-3;2-2-3;..6.....3;1 |
48a60 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 32 2d | -2-3;2-2-3;2-1-19;..7.....3;1-2- |
48a80 | 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 10 00 00 00 31 39 3b | 3;1-1-19;2-2-3;2-1-8;..8.....19; |
48aa0 | 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 0c 00 00 00 43 4f 63 31 63 | 1-1-3;2-2-3;....smiles.....COc1c |
48ac0 | 63 63 63 63 31 4e 00 02 69 6e 63 68 69 00 33 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 39 4e | cccc1N..inchi.3...InChI=1S/C7H9N |
48ae0 | 4f 2f 63 31 2d 39 2d 37 2d 35 2d 33 2d 32 2d 34 2d 36 28 37 29 38 2f 68 32 2d 35 48 2c 38 48 32 | O/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2 |
48b00 | 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 90 f7 5e 46 50 01 00 00 09 63 72 65 61 74 65 | ,1H3..updated_at...^FP....create |
48b20 | 64 5f 61 74 00 8f f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at...^FP....default_fingerprin |
48b40 | 74 5f 73 69 7a 65 00 00 00 00 00 00 4b 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 | t_size......K...._id.V..h+r.+@.. |
48b60 | 82 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 64 01 | ..warnings.......fingerprints.d. |
48b80 | 00 00 04 4d 50 32 44 00 59 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | ...MP2D.Y....0.....1;1-1-3;2-2-3 |
48ba0 | 3b 00 02 31 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | ;..1.....3;1-1-1;1-2-3;2-2-3;2-1 |
48bc0 | 2d 33 30 3b 00 02 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | -30;..2.....3;1-2-3;2-1-1;2-2-3; |
48be0 | 00 02 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b | ..3.....3;1-2-3;2-2-3;..4.....3; |
48c00 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 1-2-3;2-2-3;..5.....3;1-2-3;2-2- |
48c20 | 33 3b 32 2d 31 2d 33 30 3b 00 02 36 00 28 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 33 30 3b | 3;2-1-30;..6.(...3;1-2-3;1-1-30; |
48c40 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 32 2d 32 2d 39 3b 00 02 37 00 1c 00 00 00 | 2-1-1;2-2-3;2-1-5;2-2-9;..7..... |
48c60 | 33 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 35 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 38 00 1c | 30;1-1-3;1-1-5;1-2-9;2-2-3;..8.. |
48c80 | 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 35 3b 32 2d 31 2d 39 3b 00 02 | ...9;1-1-30;2-1-3;2-1-5;2-1-9;.. |
48ca0 | 39 00 1c 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 35 3b 32 2d 31 2d 39 | 9.....9;1-1-30;2-1-3;2-1-5;2-1-9 |
48cc0 | 3b 00 02 31 30 00 16 00 00 00 35 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 | ;..10.....5;1-1-30;2-1-3;2-2-9;. |
48ce0 | 00 00 02 73 6d 69 6c 65 73 00 14 00 00 00 43 63 31 63 63 63 63 63 31 53 28 3d 4f 29 28 3d 4f 29 | ...smiles.....Cc1ccccc1S(=O)(=O) |
48d00 | 4e 00 02 69 6e 63 68 69 00 43 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 39 4e 4f 32 53 2f 63 | N..inchi.C...InChI=1S/C7H9NO2S/c |
48d20 | 31 2d 36 2d 34 2d 32 2d 33 2d 35 2d 37 28 36 29 31 31 28 38 2c 39 29 31 30 2f 68 32 2d 35 48 2c | 1-6-4-2-3-5-7(6)11(8,9)10/h2-5H, |
48d40 | 31 48 33 2c 28 48 32 2c 38 2c 39 2c 31 30 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 96 f7 5e 46 | 1H3,(H2,8,9,10)..updated_at...^F |
48d60 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 95 f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at...^FP....default |
48d80 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 a9 01 00 00 07 5f 69 64 00 | _fingerprint_size..........._id. |
48da0 | 56 16 1c 68 2b 72 ed 2b 40 00 01 83 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..h+r.+@....warnings.......fing |
48dc0 | 65 72 70 72 69 6e 74 73 00 de 00 00 00 04 4d 50 32 44 00 d3 00 00 00 02 30 00 0f 00 00 00 31 3b | erprints......MP2D......0.....1; |
48de0 | 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 1-1-1;2-1-3;..1.....1;1-1-1;1-1- |
48e00 | 33 3b 32 2d 32 2d 33 3b 00 02 32 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d | 3;2-2-3;..2.....3;1-1-1;1-2-3;2- |
48e20 | 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b | 1-1;2-2-3;..3.....3;1-2-3;2-1-1; |
48e40 | 32 2d 32 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 | 2-2-3;..4.....3;1-2-3;2-2-3;..5. |
48e60 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d | ....3;1-2-3;2-2-3;..6.....3;1-2- |
48e80 | 33 3b 32 2d 32 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | 3;2-2-3;..7.....3;1-2-3;2-1-1;2- |
48ea0 | 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 0b 00 00 00 43 43 63 31 63 63 63 63 63 31 00 02 69 | 2-3;....smiles.....CCc1ccccc1..i |
48ec0 | 6e 63 68 69 00 30 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 31 30 2f 63 31 2d 32 2d 38 2d 36 | nchi.0...InChI=1S/C8H10/c1-2-8-6 |
48ee0 | 2d 34 2d 33 2d 35 2d 37 2d 38 2f 68 33 2d 37 48 2c 32 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 | -4-3-5-7-8/h3-7H,2H2,1H3..update |
48f00 | 64 5f 61 74 00 9c f7 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 9a f7 5e 46 50 01 00 | d_at...^FP....created_at...^FP.. |
48f20 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 | ..default_fingerprint_size...... |
48f40 | db 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 84 04 77 61 72 6e 69 6e 67 73 00 05 | ....._id.V..h+r.+@....warnings.. |
48f60 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 0c 01 00 00 04 4d 50 32 44 00 01 01 00 00 | .....fingerprints......MP2D..... |
48f80 | 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 00 1b | .0.....1;1-1-1;2-1-3;2-1-8;..1.. |
48fa0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 00 02 32 | ...1;1-1-1;1-1-3;1-1-8;2-2-3;..2 |
48fc0 | 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 | .!...3;1-1-1;1-2-3;2-1-1;2-2-3;2 |
48fe0 | 2d 31 2d 38 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | -1-8;..3.....3;1-2-3;2-1-1;2-2-3 |
49000 | 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 0f 00 00 00 33 | ;..4.....3;1-2-3;2-2-3;..5.....3 |
49020 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | ;1-2-3;2-2-3;..6.....3;1-2-3;2-2 |
49040 | 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | -3;..7.....3;1-2-3;2-1-1;2-2-3;. |
49060 | 02 38 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 00 00 02 73 | .8.....8;1-1-1;2-1-1;2-1-3;....s |
49080 | 6d 69 6c 65 73 00 0e 00 00 00 43 43 28 63 31 63 63 63 63 63 31 29 4f 00 02 69 6e 63 68 69 00 31 | miles.....CC(c1ccccc1)O..inchi.1 |
490a0 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 31 30 4f 2f 63 31 2d 37 28 39 29 38 2d 35 2d 33 2d | ...InChI=1S/C8H10O/c1-7(9)8-5-3- |
490c0 | 32 2d 34 2d 36 2d 38 2f 68 32 2d 37 2c 39 48 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 | 2-4-6-8/h2-7,9H,1H3..updated_at. |
490e0 | a2 f7 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a0 f7 5e 46 50 01 00 00 10 64 65 66 | ..^FP....created_at...^FP....def |
49100 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 e5 01 00 00 07 | ault_fingerprint_size........... |
49120 | 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 85 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..h+r.+@....warnings....... |
49140 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 10 01 00 00 04 4d 50 32 44 00 05 01 00 00 02 30 00 0f 00 | fingerprints......MP2D......0... |
49160 | 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b | ..1;1-1-3;2-2-3;..1.....3;1-1-1; |
49180 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 1-2-3;2-2-3;..2.....3;1-2-3;2-1- |
491a0 | 31 3b 32 2d 32 2d 33 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | 1;2-2-3;..3.....3;1-2-3;2-1-1;2- |
491c0 | 32 2d 33 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | 2-3;..4.....3;1-1-1;1-2-3;2-2-3; |
491e0 | 32 2d 31 2d 31 39 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d | 2-1-19;..5.....3;1-2-3;1-1-19;2- |
49200 | 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b | 1-1;2-2-3;..6.....3;1-2-3;2-1-1; |
49220 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d | 2-2-3;2-1-19;..7.....19;1-1-3;2- |
49240 | 32 2d 33 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d | 2-3;..8.....1;1-1-3;2-2-3;....sm |
49260 | 69 6c 65 73 00 10 00 00 00 43 63 31 63 63 63 28 63 28 63 31 29 4e 29 43 00 02 69 6e 63 68 69 00 | iles.....Cc1ccc(c(c1)N)C..inchi. |
49280 | 35 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 31 31 4e 2f 63 31 2d 36 2d 33 2d 34 2d 37 28 32 | 5...InChI=1S/C8H11N/c1-6-3-4-7(2 |
492a0 | 29 38 28 39 29 35 2d 36 2f 68 33 2d 35 48 2c 39 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 | )8(9)5-6/h3-5H,9H2,1-2H3..update |
492c0 | 64 5f 61 74 00 a7 f7 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a6 f7 5e 46 50 01 00 | d_at...^FP....created_at...^FP.. |
492e0 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 | ..default_fingerprint_size...... |
49300 | d5 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 86 04 77 61 72 6e 69 6e 67 73 00 05 | ....._id.V..h+r.+@....warnings.. |
49320 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 06 01 00 00 04 4d 50 32 44 00 fb 00 00 00 | .....fingerprints......MP2D..... |
49340 | 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 00 | .0.....1;1-1-19;2-1-1;2-1-3;..1. |
49360 | 16 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 1c 00 00 | ....19;1-2-1;1-1-3;2-2-3;..2.... |
49380 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 | .3;1-2-3;1-1-19;2-2-1;2-2-3;..3. |
493a0 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 34 00 0f 00 00 | ....3;1-2-3;2-2-3;2-1-19;..4.... |
493c0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | .3;1-2-3;2-2-3;..5.....3;1-2-3;2 |
493e0 | 2d 32 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 16 | -2-3;..6.....3;1-2-3;2-2-3;..7.. |
49400 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 38 00 16 00 00 00 | ...3;1-2-3;2-2-3;2-1-19;..8..... |
49420 | 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 | 1;1-1-19;2-1-1;2-1-3;....smiles. |
49440 | 0e 00 00 00 43 4e 28 63 31 63 63 63 63 63 31 29 43 00 02 69 6e 63 68 69 00 31 00 00 00 49 6e 43 | ....CN(c1ccccc1)C..inchi.1...InC |
49460 | 68 49 3d 31 53 2f 43 38 48 31 31 4e 2f 63 31 2d 39 28 32 29 38 2d 36 2d 34 2d 33 2d 35 2d 37 2d | hI=1S/C8H11N/c1-9(2)8-6-4-3-5-7- |
49480 | 38 2f 68 33 2d 37 48 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 ad f7 5e 46 50 01 | 8/h3-7H,1-2H3..updated_at...^FP. |
494a0 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ac f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at...^FP....default_f |
494c0 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 23 02 00 00 07 5f 69 64 00 56 16 | ingerprint_size......#...._id.V. |
494e0 | 1c 68 2b 72 ed 2b 40 00 01 87 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | .h+r.+@....warnings.......finger |
49500 | 70 72 69 6e 74 73 00 4a 01 00 00 04 4d 50 32 44 00 3f 01 00 00 02 30 00 16 00 00 00 31 3b 31 2d | prints.J....MP2D.?....0.....1;1- |
49520 | 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 00 16 00 00 00 31 39 3b 31 2d 32 2d | 1-19;2-1-1;2-1-6;..1.....19;1-2- |
49540 | 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 36 3b 00 02 32 00 1c 00 00 00 36 3b 31 2d 31 2d 36 3b 31 2d | 1;1-1-6;2-1-6;..2.....6;1-1-6;1- |
49560 | 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 00 1c 00 00 00 36 3b 31 2d 31 2d 33 | 1-19;2-2-1;2-1-3;..3.....6;1-1-3 |
49580 | 3b 31 2d 31 2d 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 34 00 1b 00 00 00 33 3b 31 2d | ;1-1-6;2-2-3;2-1-19;..4.....3;1- |
495a0 | 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 35 00 15 00 00 00 33 3b | 2-3;1-1-6;2-2-3;2-1-6;..5.....3; |
495c0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d | 1-2-3;2-2-3;2-1-6;..6.....3;1-2- |
495e0 | 33 3b 32 2d 32 2d 33 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 | 3;2-2-3;..7.....3;1-2-3;2-2-3;.. |
49600 | 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 15 00 00 00 33 3b 31 2d | 8.....3;1-2-3;2-2-3;..9.....3;1- |
49620 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 30 00 16 00 00 00 31 3b 31 2d 31 2d 31 | 2-3;2-2-3;2-1-6;..10.....1;1-1-1 |
49640 | 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 11 00 00 00 43 4e 28 | 9;2-1-1;2-1-6;....smiles.....CN( |
49660 | 4e 3d 4e 63 31 63 63 63 63 63 31 29 43 00 02 69 6e 63 68 69 00 38 00 00 00 49 6e 43 68 49 3d 31 | N=Nc1ccccc1)C..inchi.8...InChI=1 |
49680 | 53 2f 43 38 48 31 31 4e 33 2f 63 31 2d 31 31 28 32 29 31 30 2d 39 2d 38 2d 36 2d 34 2d 33 2d 35 | S/C8H11N3/c1-11(2)10-9-8-6-4-3-5 |
496a0 | 2d 37 2d 38 2f 68 33 2d 37 48 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 b3 f7 5e | -7-8/h3-7H,1-2H3..updated_at...^ |
496c0 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 b2 f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at...^FP....defaul |
496e0 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 0a 02 00 00 07 5f 69 64 | t_fingerprint_size..........._id |
49700 | 00 56 16 1c 68 2b 72 ed 2b 40 00 01 88 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..h+r.+@....warnings.......fin |
49720 | 67 65 72 70 72 69 6e 74 73 00 32 01 00 00 04 4d 50 32 44 00 27 01 00 00 02 30 00 0f 00 00 00 31 | gerprints.2....MP2D.'....0.....1 |
49740 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 | ;1-1-8;2-1-3;..1.....8;1-1-1;1-1 |
49760 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 | -3;2-2-3;..2."...3;1-2-3;1-1-8;2 |
49780 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d | -1-1;2-2-3;2-1-19;..3.....3;1-2- |
497a0 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 3;2-2-3;2-1-8;..4.....3;1-2-3;2- |
497c0 | 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b | 1-1;2-2-3;..5.....3;1-1-1;1-2-3; |
497e0 | 32 2d 32 2d 33 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | 2-2-3;..6.....3;1-2-3;2-1-1;2-2- |
49800 | 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b | 3;2-1-19;..7.....3;1-2-3;1-1-19; |
49820 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 | 2-2-3;2-1-8;..8.....19;1-1-3;2-2 |
49840 | 2d 33 3b 00 02 39 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 | -3;..9.....1;1-1-3;2-2-3;....smi |
49860 | 6c 65 73 00 0f 00 00 00 43 4f 63 31 63 63 63 28 63 63 31 4e 29 43 00 02 69 6e 63 68 69 00 39 00 | les.....COc1ccc(cc1N)C..inchi.9. |
49880 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 31 31 4e 4f 2f 63 31 2d 36 2d 33 2d 34 2d 38 28 31 30 | ..InChI=1S/C8H11NO/c1-6-3-4-8(10 |
498a0 | 2d 32 29 37 28 39 29 35 2d 36 2f 68 33 2d 35 48 2c 39 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 | -2)7(9)5-6/h3-5H,9H2,1-2H3..upda |
498c0 | 74 65 64 5f 61 74 00 b9 f7 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 b7 f7 5e 46 50 | ted_at...^FP....created_at...^FP |
498e0 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
49900 | 00 00 0c 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 89 04 77 61 72 6e 69 6e 67 73 | ......._id.V..h+r.+@....warnings |
49920 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 32 01 00 00 04 4d 50 32 44 00 27 01 | .......fingerprints.2....MP2D.'. |
49940 | 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 38 | ...0.....1;1-1-8;2-1-3;..1.....8 |
49960 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 1b 00 00 00 33 3b 31 2d 32 | ;1-1-1;1-1-3;2-2-3;..2.....3;1-2 |
49980 | 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 15 00 00 00 33 3b 31 | -3;1-1-8;2-1-1;2-2-3;..3.....3;1 |
499a0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 | -2-3;2-2-3;2-1-8;..4.....3;1-2-3 |
499c0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | ;2-2-3;2-1-19;..5.....3;1-2-3;1- |
499e0 | 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 31 2d 31 | 1-19;2-1-1;2-2-3;..6.....3;1-1-1 |
49a00 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 1b 00 00 00 33 3b 31 2d | ;1-2-3;2-2-3;2-1-19;..7.....3;1- |
49a20 | 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 0f 00 00 00 31 3b | 2-3;2-1-1;2-2-3;2-1-8;..8.....1; |
49a40 | 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 | 1-1-3;2-2-3;..9.....19;1-1-3;2-2 |
49a60 | 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 11 00 00 00 43 4f 63 31 63 63 63 28 63 28 63 31 29 43 | -3;....smiles.....COc1ccc(c(c1)C |
49a80 | 29 4e 00 02 69 6e 63 68 69 00 39 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 31 31 4e 4f 2f 63 | )N..inchi.9...InChI=1S/C8H11NO/c |
49aa0 | 31 2d 36 2d 35 2d 37 28 31 30 2d 32 29 33 2d 34 2d 38 28 36 29 39 2f 68 33 2d 35 48 2c 39 48 32 | 1-6-5-7(10-2)3-4-8(6)9/h3-5H,9H2 |
49ac0 | 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 be f7 5e 46 50 01 00 00 09 63 72 65 61 | ,1-2H3..updated_at...^FP....crea |
49ae0 | 74 65 64 5f 61 74 00 bd f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at...^FP....default_fingerpr |
49b00 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 09 03 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 | int_size..........._id.V..h+r.+@ |
49b20 | 00 01 8a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 | ....warnings.......fingerprints. |
49b40 | 16 02 00 00 04 4d 50 32 44 00 0b 02 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 | .....MP2D......0.....9;1-1-6;2-1 |
49b60 | 2d 31 39 3b 00 02 31 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 | -19;..1.....6;1-1-9;1-1-19;2-2-1 |
49b80 | 3b 00 02 32 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d | ;..2.....19;1-2-1;1-1-6;2-2-1;2- |
49ba0 | 31 2d 39 3b 00 02 33 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 | 1-9;..3.....1;1-1-1;1-1-19;2-2-1 |
49bc0 | 3b 32 2d 31 2d 36 3b 00 02 34 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 | ;2-1-6;..4.....1;1-2-1;2-1-1;2-1 |
49be0 | 2d 31 39 3b 00 02 35 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 33 2d 31 36 | -19;..5.....1;1-2-1;2-1-1;2-3-16 |
49c00 | 3b 00 02 36 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 33 2d 31 36 3b 32 2d 31 2d 31 3b 00 02 | ;..6.....1;1-1-1;1-3-16;2-1-1;.. |
49c20 | 37 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 36 3b 00 02 38 00 | 7.....16;1-1-1;2-1-1;2-2-16;..8. |
49c40 | 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 36 3b 00 02 39 00 17 00 | ....16;1-1-1;2-1-1;2-2-16;..9... |
49c60 | 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 36 3b 00 02 31 30 00 1c 00 00 | ..16;1-1-1;2-1-1;2-2-16;..10.... |
49c80 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 31 | .1;1-1-1;1-1-19;2-2-1;2-1-6;..11 |
49ca0 | 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 32 00 16 | .....1;1-2-1;2-1-1;2-1-19;..12.. |
49cc0 | 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 33 2d 31 36 3b 00 02 31 33 00 16 00 00 | ...1;1-2-1;2-1-1;2-3-16;..13.... |
49ce0 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 33 2d 31 36 3b 32 2d 31 2d 31 3b 00 02 31 34 00 17 00 00 00 31 | .1;1-1-1;1-3-16;2-1-1;..14.....1 |
49d00 | 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 36 3b 00 02 31 35 00 17 00 00 00 31 36 | 6;1-1-1;2-1-1;2-2-16;..15.....16 |
49d20 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 36 3b 00 02 31 36 00 17 00 00 00 31 36 3b | ;1-1-1;2-1-1;2-2-16;..16.....16; |
49d40 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 1d 00 | 1-1-1;2-1-1;2-2-16;....smiles... |
49d60 | 00 00 4f 3d 4e 4e 28 43 43 43 43 28 46 29 28 46 29 46 29 43 43 43 43 28 46 29 28 46 29 46 00 02 | ..O=NN(CCCC(F)(F)F)CCCC(F)(F)F.. |
49d80 | 69 6e 63 68 69 00 46 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 31 32 46 36 4e 32 4f 2f 63 39 | inchi.F...InChI=1S/C8H12F6N2O/c9 |
49da0 | 2d 37 28 31 30 2c 31 31 29 33 2d 31 2d 35 2d 31 36 28 31 35 2d 31 37 29 36 2d 32 2d 34 2d 38 28 | -7(10,11)3-1-5-16(15-17)6-2-4-8( |
49dc0 | 31 32 2c 31 33 29 31 34 2f 68 31 2d 36 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 c5 f7 5e 46 | 12,13)14/h1-6H2..updated_at...^F |
49de0 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c3 f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at...^FP....default |
49e00 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 a5 02 00 00 07 5f 69 64 00 | _fingerprint_size..........._id. |
49e20 | 56 16 1c 68 2b 72 ed 2b 40 00 01 8b 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..h+r.+@....warnings.......fing |
49e40 | 65 72 70 72 69 6e 74 73 00 a8 01 00 00 04 4d 50 32 44 00 9d 01 00 00 02 30 00 0f 00 00 00 31 3b | erprints......MP2D......0.....1; |
49e60 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d | 1-1-1;2-1-1;..1.....1;1-2-1;2-1- |
49e80 | 31 3b 32 2d 32 2d 32 3b 00 02 32 00 22 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 32 2d 32 3b 32 2d | 1;2-2-2;..2."...1;1-2-1;1-2-2;2- |
49ea0 | 32 2d 31 3b 32 2d 32 2d 39 3b 32 2d 32 2d 32 38 3b 00 02 33 00 15 00 00 00 31 3b 31 2d 32 2d 31 | 2-1;2-2-9;2-2-28;..3.....1;1-2-1 |
49ec0 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 34 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 | ;2-1-1;2-2-2;..4.....1;1-1-1;2-1 |
49ee0 | 2d 31 3b 00 02 35 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b | -1;..5."...2;1-1-1;1-1-9;1-1-28; |
49f00 | 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 36 00 1d 00 00 00 32 38 3b 31 2d 32 2d 32 3b 32 2d 31 | 2-2-1;2-2-2;..6.....28;1-2-2;2-1 |
49f20 | 2d 31 3b 32 2d 32 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 37 00 16 00 00 00 32 3b 31 2d 31 2d 39 3b | -1;2-2-9;2-1-28;..7.....2;1-1-9; |
49f40 | 31 2d 32 2d 32 38 3b 32 2d 32 2d 32 3b 00 02 38 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 | 1-2-28;2-2-2;..8.....9;1-1-2;2-2 |
49f60 | 2d 32 38 3b 00 02 39 00 1d 00 00 00 32 38 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 39 | -28;..9.....28;1-2-2;2-1-1;2-2-9 |
49f80 | 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 | ;2-1-28;..10."...2;1-1-1;1-1-9;1 |
49fa0 | 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 31 00 16 00 00 00 39 3b 31 2d 31 | -1-28;2-2-1;2-2-2;..11.....9;1-1 |
49fc0 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 16 00 00 00 39 3b 31 2d 31 2d 32 | -2;2-1-1;2-1-28;..12.....9;1-1-2 |
49fe0 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 43 43 43 | ;2-1-1;2-1-28;....smiles.....CCC |
4a000 | 31 28 43 43 29 43 28 3d 4e 43 28 3d 4f 29 4e 3d 43 31 4f 29 4f 00 02 69 6e 63 68 69 00 54 00 00 | 1(CC)C(=NC(=O)N=C1O)O..inchi.T.. |
4a020 | 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 31 32 4e 32 4f 33 2f 63 31 2d 33 2d 38 28 34 2d 32 29 35 | .InChI=1S/C8H12N2O3/c1-3-8(4-2)5 |
4a040 | 28 31 31 29 39 2d 37 28 31 33 29 31 30 2d 36 28 38 29 31 32 2f 68 33 2d 34 48 32 2c 31 2d 32 48 | (11)9-7(13)10-6(8)12/h3-4H2,1-2H |
4a060 | 33 2c 28 48 32 2c 39 2c 31 30 2c 31 31 2c 31 32 2c 31 33 29 00 09 75 70 64 61 74 65 64 5f 61 74 | 3,(H2,9,10,11,12,13)..updated_at |
4a080 | 00 cb f7 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ca f7 5e 46 50 01 00 00 10 64 65 | ...^FP....created_at...^FP....de |
4a0a0 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 37 03 00 00 | fault_fingerprint_size......7... |
4a0c0 | 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 8c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V..h+r.+@....warnings...... |
4a0e0 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 2b 02 00 00 04 4d 50 32 44 00 20 02 00 00 02 30 00 0f | .fingerprints.+....MP2D......0.. |
4a100 | 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 1b 00 00 00 31 3b 31 2d 31 2d 31 | ...8;1-1-1;2-1-1;..1.....1;1-1-1 |
4a120 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 32 | ;1-1-8;2-1-1;2-1-8;..2.....1;1-2 |
4a140 | 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 33 00 16 00 00 00 38 3b 31 | -1;1-1-8;2-2-1;2-2-8;..3.....8;1 |
4a160 | 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 31 31 3b 00 02 34 00 28 00 00 00 31 3b 31 2d 31 2d | -2-1;2-3-1;2-1-11;..4.(...1;1-1- |
4a180 | 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 | 1;1-1-8;1-1-11;2-2-1;2-2-3;2-1-8 |
4a1a0 | 3b 00 02 35 00 22 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 | ;..5."...1;1-2-1;1-1-8;2-1-1;2-2 |
4a1c0 | 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 36 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b | -8;2-1-11;..6.....1;1-2-1;1-1-8; |
4a1e0 | 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 37 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d | 2-2-1;2-2-8;..7.....8;1-1-1;2-2- |
4a200 | 31 3b 00 02 38 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 39 00 23 00 00 00 | 1;..8.....8;1-1-1;2-2-1;..9.#... |
4a220 | 31 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d 32 2d 31 | 11;1-1-1;1-2-3;2-1-1;2-2-8;2-2-1 |
4a240 | 31 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | 1;..10.....3;1-2-11;2-1-1;2-2-3; |
4a260 | 00 02 31 31 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 32 2d 31 31 3b 00 | ..11.....11;1-2-3;2-1-6;2-2-11;. |
4a280 | 02 31 32 00 16 00 00 00 33 3b 31 2d 31 2d 36 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 | .12.....3;1-1-6;1-2-11;2-2-3;..1 |
4a2a0 | 33 00 10 00 00 00 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 34 00 1d 00 00 00 31 31 | 3.....6;1-1-3;2-2-11;..14.....11 |
4a2c0 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 31 3b 00 02 31 35 00 1c | ;1-2-3;2-1-6;2-1-8;2-2-11;..15.. |
4a2e0 | 00 00 00 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 | ...3;1-1-8;1-2-11;2-1-1;2-2-3;.. |
4a300 | 31 36 00 10 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 00 00 02 73 6d 69 6c 65 73 | 16.....8;1-1-3;2-2-11;....smiles |
4a320 | 00 1d 00 00 00 4f 43 43 31 4f 43 28 43 28 43 31 4f 29 4f 29 6e 31 63 6e 63 28 3d 4e 29 6e 63 31 | .....OCC1OC(C(C1O)O)n1cnc(=N)nc1 |
4a340 | 4f 00 02 69 6e 63 68 69 00 5f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 31 32 4e 34 4f 35 2f | O..inchi._...InChI=1S/C8H12N4O5/ |
4a360 | 63 39 2d 37 2d 31 30 2d 32 2d 31 32 28 38 28 31 36 29 31 31 2d 37 29 36 2d 35 28 31 35 29 34 28 | c9-7-10-2-12(8(16)11-7)6-5(15)4( |
4a380 | 31 34 29 33 28 31 2d 31 33 29 31 37 2d 36 2f 68 32 2d 36 2c 31 33 2d 31 35 48 2c 31 48 32 2c 28 | 14)3(1-13)17-6/h2-6,13-15H,1H2,( |
4a3a0 | 48 32 2c 39 2c 31 31 2c 31 36 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 d1 f7 5e 46 50 01 00 00 | H2,9,11,16)..updated_at...^FP... |
4a3c0 | 09 63 72 65 61 74 65 64 5f 61 74 00 d0 f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at...^FP....default_fin |
4a3e0 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 22 03 00 00 07 5f 69 64 00 56 16 1c 68 | gerprint_size......"...._id.V..h |
4a400 | 2b 72 ed 2b 40 00 01 8d 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.+@....warnings.......fingerpr |
4a420 | 69 6e 74 73 00 19 02 00 00 04 4d 50 32 44 00 0e 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d | ints......MP2D......0.....1;1-1- |
4a440 | 31 3b 32 2d 31 2d 36 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 32 2d | 1;2-1-6;..1.....1;1-1-1;1-1-6;2- |
4a460 | 31 2d 33 3b 00 02 32 00 1c 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b | 1-3;..2.....6;1-1-1;1-1-3;2-1-1; |
4a480 | 32 2d 32 2d 31 31 3b 00 02 33 00 23 00 00 00 33 3b 31 2d 31 2d 36 3b 31 2d 32 2d 31 31 3b 32 2d | 2-2-11;..3.#...3;1-1-6;1-2-11;2- |
4a4a0 | 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 34 00 1e 00 00 00 31 31 3b 31 2d 32 2d | 1-1;2-2-3;2-1-13;..4.....11;1-2- |
4a4c0 | 33 3b 32 2d 31 2d 36 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 31 35 3b 00 02 35 00 1e 00 00 00 33 3b | 3;2-1-6;2-2-11;2-1-15;..5.....3; |
4a4e0 | 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 36 00 11 | 1-2-11;1-1-15;2-2-3;2-1-13;..6.. |
4a500 | 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 37 00 25 00 00 00 31 31 3b 31 2d | ...15;1-1-3;2-2-11;..7.%...11;1- |
4a520 | 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 31 2d 36 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 31 35 3b 00 | 2-3;1-1-13;2-1-6;2-2-11;2-1-15;. |
4a540 | 02 38 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 39 00 23 00 00 00 33 | .8.....13;1-1-11;2-2-3;..9.#...3 |
4a560 | 3b 31 2d 31 2d 36 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 33 | ;1-1-6;1-2-11;2-1-1;2-2-3;2-2-13 |
4a580 | 3b 00 02 31 30 00 1c 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d | ;..10.....6;1-1-1;1-1-3;2-2-1;2- |
4a5a0 | 32 2d 31 31 3b 00 02 31 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d | 2-11;..11.....1;1-2-1;1-1-6;2-1- |
4a5c0 | 33 3b 00 02 31 32 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 | 3;..12.....1;1-1-1;2-1-1;2-1-6;. |
4a5e0 | 02 31 33 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 34 | .13.....1;1-1-1;2-1-1;2-1-6;..14 |
4a600 | 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 32 2d 36 3b 32 2d 32 2d 31 | .....11;1-2-3;1-1-13;2-2-6;2-2-1 |
4a620 | 31 3b 00 02 31 35 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 00 00 02 73 | 1;..15.....13;1-1-11;2-2-3;....s |
4a640 | 6d 69 6c 65 73 00 20 00 00 00 43 43 4e 3d 63 31 6e 63 28 43 6c 29 5b 6e 48 5d 63 28 3d 4e 43 28 | miles.....CCN=c1nc(Cl)[nH]c(=NC( |
4a660 | 43 29 43 29 5b 6e 48 5d 31 00 02 69 6e 63 68 69 00 59 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 | C)C)[nH]1..inchi.Y...InChI=1S/C8 |
4a680 | 48 31 34 43 6c 4e 35 2f 63 31 2d 34 2d 31 30 2d 37 2d 31 32 2d 36 28 39 29 31 33 2d 38 28 31 34 | H14ClN5/c1-4-10-7-12-6(9)13-8(14 |
4a6a0 | 2d 37 29 31 31 2d 35 28 32 29 33 2f 68 35 48 2c 34 48 32 2c 31 2d 33 48 33 2c 28 48 32 2c 31 30 | -7)11-5(2)3/h5H,4H2,1-3H3,(H2,10 |
4a6c0 | 2c 31 31 2c 31 32 2c 31 33 2c 31 34 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 d8 f7 5e 46 50 01 | ,11,12,13,14)..updated_at...^FP. |
4a6e0 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d6 f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at...^FP....default_f |
4a700 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 85 02 00 00 07 5f 69 64 00 56 16 | ingerprint_size..........._id.V. |
4a720 | 1c 68 2b 72 ed 2b 40 00 01 8e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | .h+r.+@....warnings.......finger |
4a740 | 70 72 69 6e 74 73 00 a2 01 00 00 04 4d 50 32 44 00 97 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d | prints......MP2D......0.....1;1- |
4a760 | 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | 1-1;2-1-28;..1.....1;1-1-1;1-1-2 |
4a780 | 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 24 00 00 00 32 38 3b 31 2d 32 2d 31 3b 31 | 8;2-1-1;2-1-2;..2.$...28;1-2-1;1 |
4a7a0 | 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 33 00 1e 00 00 | -1-2;2-2-1;2-1-10;2-1-18;..3.... |
4a7c0 | 00 32 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 31 38 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 00 02 | .2;1-1-10;1-1-18;1-1-28;2-3-1;.. |
4a7e0 | 34 00 18 00 00 00 31 38 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 32 38 3b 00 02 35 | 4.....18;1-1-2;2-1-10;2-1-28;..5 |
4a800 | 00 24 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 38 | .$...10;1-1-1;1-1-2;2-1-2;2-1-18 |
4a820 | 3b 32 2d 31 2d 32 38 3b 00 02 36 00 1d 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 30 3b 32 | ;2-1-28;..6.....1;1-1-2;1-1-10;2 |
4a840 | 2d 32 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 37 00 1d 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -2-2;2-1-15;..7.....2;1-1-1;1-1- |
4a860 | 32 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 30 3b 00 02 38 00 16 00 00 00 32 3b 31 2d 31 2d 32 3b | 2;1-1-15;2-1-10;..8.....2;1-1-2; |
4a880 | 32 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 39 00 16 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d | 2-1-1;2-1-15;..9.....15;1-1-2;2- |
4a8a0 | 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 30 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | 1-1;2-1-2;..10.....1;1-1-1;1-1-2 |
4a8c0 | 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 31 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 | 8;2-1-1;2-1-2;..11.....1;1-1-1;2 |
4a8e0 | 2d 31 2d 32 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 16 00 00 00 43 43 4e 28 43 28 3d 53 29 53 43 | -1-28;....smiles.....CCN(C(=S)SC |
4a900 | 43 28 3d 43 29 43 6c 29 43 43 00 02 69 6e 63 68 69 00 3d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | C(=C)Cl)CC..inchi.=...InChI=1S/C |
4a920 | 38 48 31 34 43 6c 4e 53 32 2f 63 31 2d 34 2d 31 30 28 35 2d 32 29 38 28 31 31 29 31 32 2d 36 2d | 8H14ClNS2/c1-4-10(5-2)8(11)12-6- |
4a940 | 37 28 33 29 39 2f 68 33 2d 36 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 dd | 7(3)9/h3-6H2,1-2H3..updated_at.. |
4a960 | f7 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 dc f7 5e 46 50 01 00 00 10 64 65 66 61 | .^FP....created_at...^FP....defa |
4a980 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 0a 02 00 00 07 5f | ult_fingerprint_size..........._ |
4a9a0 | 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 8f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..h+r.+@....warnings.......f |
4a9c0 | 69 6e 67 65 72 70 72 69 6e 74 73 00 2e 01 00 00 04 4d 50 32 44 00 23 01 00 00 02 30 00 0f 00 00 | ingerprints......MP2D.#....0.... |
4a9e0 | 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 00 02 31 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 | .2;1-1-2;2-1-1;..1.....2;1-1-1;1 |
4aa00 | 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 | -1-2;2-1-8;..2.....1;1-1-2;1-1-8 |
4aa20 | 3b 32 2d 32 2d 32 3b 00 02 33 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 | ;2-2-2;..3.!...8;1-1-1;1-1-2;2-1 |
4aa40 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 34 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 | -1;2-1-2;2-1-9;..4.....2;1-1-1;1 |
4aa60 | 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 00 02 35 00 15 00 00 00 39 3b 31 2d 31 2d 32 | -1-8;1-1-9;2-2-1;..5.....9;1-1-2 |
4aa80 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 36 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | ;2-1-1;2-1-8;..6.!...1;1-1-1;1-1 |
4aaa0 | 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 37 00 0f 00 00 00 31 3b 31 | -2;2-2-1;2-1-8;2-1-9;..7.....1;1 |
4aac0 | 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 | -3-1;2-1-2;..8.....1;1-1-1;2-2-1 |
4aae0 | 3b 00 02 39 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 | ;..9.....1;1-1-1;2-2-1;....smile |
4ab00 | 73 00 11 00 00 00 43 3d 43 43 4f 43 28 3d 4f 29 43 43 28 43 29 43 00 02 69 6e 63 68 69 00 3b 00 | s.....C=CCOC(=O)CC(C)C..inchi.;. |
4ab20 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 31 34 4f 32 2f 63 31 2d 34 2d 35 2d 31 30 2d 38 28 39 | ..InChI=1S/C8H14O2/c1-4-5-10-8(9 |
4ab40 | 29 36 2d 37 28 32 29 33 2f 68 34 2c 37 48 2c 31 2c 35 2d 36 48 32 2c 32 2d 33 48 33 00 09 75 70 | )6-7(2)3/h4,7H,1,5-6H2,2-3H3..up |
4ab60 | 64 61 74 65 64 5f 61 74 00 e3 f7 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e2 f7 5e | dated_at...^FP....created_at...^ |
4ab80 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
4aba0 | 00 00 00 00 5b 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 90 04 77 61 72 6e 69 6e | ....[...._id.V..h+r.+@....warnin |
4abc0 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 74 01 00 00 04 4d 50 32 44 00 | gs.......fingerprints.t....MP2D. |
4abe0 | 69 01 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 | i....0.....1;1-1-1;2-1-1;2-1-8;. |
4ac00 | 02 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 00 02 32 00 15 | .1.....1;1-2-1;1-1-8;2-2-1;..2.. |
4ac20 | 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 00 15 00 00 00 31 | ...8;1-2-1;2-3-1;2-1-8;..3.....1 |
4ac40 | 3b 31 2d 31 2d 31 3b 31 2d 32 2d 38 3b 32 2d 32 2d 31 3b 00 02 34 00 0f 00 00 00 31 3b 31 2d 31 | ;1-1-1;1-2-8;2-2-1;..4.....1;1-1 |
4ac60 | 2d 31 3b 32 2d 32 2d 38 3b 00 02 35 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 | -1;2-2-8;..5.....8;1-2-1;2-2-1;2 |
4ac80 | 2d 32 2d 38 3b 00 02 36 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 38 3b 32 2d 32 2d 31 | -2-8;..6.....1;1-1-1;1-2-8;2-2-1 |
4aca0 | 3b 32 2d 31 2d 32 3b 00 02 37 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 33 | ;2-1-2;..7.....1;1-2-1;2-1-1;2-3 |
4acc0 | 2d 38 3b 00 02 38 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 | -8;..8.!...8;1-1-1;1-1-2;2-2-1;2 |
4ace0 | 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 39 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 | -1-8;2-1-9;..9.....2;1-1-1;1-1-8 |
4ad00 | 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 00 02 31 30 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d | ;1-1-9;2-1-1;..10.....9;1-1-2;2- |
4ad20 | 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 31 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 | 1-1;2-1-8;..11.....1;1-1-2;2-1-8 |
4ad40 | 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 16 00 00 00 43 43 31 4f 43 28 43 29 4f 43 | ;2-1-9;....smiles.....CC1OC(C)OC |
4ad60 | 28 43 31 29 4f 43 28 3d 4f 29 43 00 02 69 6e 63 68 69 00 41 00 00 00 49 6e 43 68 49 3d 31 53 2f | (C1)OC(=O)C..inchi.A...InChI=1S/ |
4ad80 | 43 38 48 31 34 4f 34 2f 63 31 2d 35 2d 34 2d 38 28 31 31 2d 36 28 32 29 39 29 31 32 2d 37 28 33 | C8H14O4/c1-5-4-8(11-6(2)9)12-7(3 |
4ada0 | 29 31 30 2d 35 2f 68 35 2c 37 2d 38 48 2c 34 48 32 2c 31 2d 33 48 33 00 09 75 70 64 61 74 65 64 | )10-5/h5,7-8H,4H2,1-3H3..updated |
4adc0 | 5f 61 74 00 e9 f7 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e8 f7 5e 46 50 01 00 00 | _at...^FP....created_at...^FP... |
4ade0 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 77 | .default_fingerprint_size......w |
4ae00 | 03 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 91 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..h+r.+@....warnings... |
4ae20 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 65 02 00 00 04 4d 50 32 44 00 5a 02 00 00 02 | ....fingerprints.e....MP2D.Z.... |
4ae40 | 30 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 00 02 31 00 1b 00 00 00 32 3b 31 2d | 0.....9;1-1-2;2-1-1;..1.....2;1- |
4ae60 | 31 2d 31 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 32 00 2d 00 00 00 31 3b | 1-1;1-1-9;2-1-1;2-1-6;..2.-...1; |
4ae80 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d | 1-1-1;1-1-2;1-1-6;2-1-1;2-1-2;2- |
4aea0 | 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 33 00 27 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b | 1-8;2-1-9;..3.'...1;1-2-1;1-1-8; |
4aec0 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 34 00 1b 00 00 00 | 2-1-1;2-1-2;2-1-6;2-1-8;..4..... |
4aee0 | 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 35 00 1b 00 | 1;1-2-1;1-1-8;2-2-1;2-2-8;..5... |
4af00 | 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 00 02 36 00 | ..1;1-2-1;1-1-8;2-1-1;2-2-8;..6. |
4af20 | 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 | ....1;1-1-1;1-1-8;2-1-1;2-1-8;.. |
4af40 | 37 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 38 00 0f 00 00 00 38 3b 31 2d | 7.....8;1-1-1;2-1-1;..8.....8;1- |
4af60 | 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 39 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b | 1-1;2-2-1;..9.....8;1-1-1;2-2-1; |
4af80 | 00 02 31 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 31 00 28 00 00 00 | ..10.....8;1-1-1;2-2-1;..11.(... |
4afa0 | 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b | 6;1-1-1;1-1-2;2-1-1;2-1-2;2-1-9; |
4afc0 | 32 2d 31 2d 31 39 3b 00 02 31 32 00 22 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 31 2d | 2-1-19;..12."...2;1-1-6;1-1-9;1- |
4afe0 | 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 33 00 22 00 00 00 31 39 3b 31 2d 31 | 1-19;2-2-1;2-1-6;..13."...19;1-1 |
4b000 | 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 36 3b 32 2d 32 2d 39 3b 00 02 31 34 00 | -1;1-1-2;1-1-6;2-1-6;2-2-9;..14. |
4b020 | 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 | ....6;1-1-9;1-1-19;2-1-1;2-1-2;. |
4b040 | 02 31 35 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 36 00 16 00 00 00 | .15.....9;1-1-6;2-1-19;..16..... |
4b060 | 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 31 37 00 16 00 00 00 39 3b | 1;1-1-19;2-1-2;2-1-6;..17.....9; |
4b080 | 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 22 00 | 1-1-2;2-1-6;2-1-19;....smiles.". |
4b0a0 | 00 00 4f 3d 43 43 28 43 28 43 28 43 28 43 4f 29 4f 29 4f 29 4f 29 4e 3d 43 28 4e 28 4e 3d 4f 29 | ..O=CC(C(C(C(CO)O)O)O)N=C(N(N=O) |
4b0c0 | 43 29 4f 00 02 69 6e 63 68 69 00 60 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 31 35 4e 33 4f | C)O..inchi.`...InChI=1S/C8H15N3O |
4b0e0 | 37 2f 63 31 2d 31 31 28 31 30 2d 31 38 29 38 28 31 37 29 39 2d 34 28 32 2d 31 32 29 36 28 31 35 | 7/c1-11(10-18)8(17)9-4(2-12)6(15 |
4b100 | 29 37 28 31 36 29 35 28 31 34 29 33 2d 31 33 2f 68 32 2c 34 2d 37 2c 31 33 2d 31 36 48 2c 33 48 | )7(16)5(14)3-13/h2,4-7,13-16H,3H |
4b120 | 32 2c 31 48 33 2c 28 48 2c 39 2c 31 37 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 ef f7 5e 46 50 | 2,1H3,(H,9,17)..updated_at...^FP |
4b140 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ee f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at...^FP....default_ |
4b160 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 88 02 00 00 07 5f 69 64 00 56 | fingerprint_size..........._id.V |
4b180 | 16 1c 68 2b 72 ed 2b 40 00 01 92 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..h+r.+@....warnings.......finge |
4b1a0 | 72 70 72 69 6e 74 73 00 a5 01 00 00 04 4d 50 32 44 00 9a 01 00 00 02 30 00 0f 00 00 00 31 3b 31 | rprints......MP2D......0.....1;1 |
4b1c0 | 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 | -1-1;2-1-1;..1.....1;1-2-1;2-1-1 |
4b1e0 | 3b 00 02 32 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 00 16 00 00 00 31 | ;..2.....1;1-2-1;2-2-1;..3.....1 |
4b200 | 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 34 00 22 00 00 00 31 3b 31 2d | ;1-2-1;2-1-1;2-1-28;..4."...1;1- |
4b220 | 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 35 | 1-1;1-1-28;2-1-1;2-1-2;2-1-6;..5 |
4b240 | 00 28 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b | .(...28;1-1-1;1-1-2;1-1-6;2-1-1; |
4b260 | 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 36 00 22 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d | 2-1-8;2-2-9;..6."...2;1-1-8;1-1- |
4b280 | 39 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 37 00 16 00 00 00 39 3b 31 | 9;1-1-28;2-2-1;2-1-6;..7.....9;1 |
4b2a0 | 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 38 00 22 00 00 00 38 3b 31 2d 31 2d | -1-2;2-1-8;2-1-28;..8."...8;1-1- |
4b2c0 | 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 39 00 15 | 1;1-1-2;2-1-1;2-1-9;2-1-28;..9.. |
4b2e0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 31 30 00 0f 00 00 00 | ...1;1-1-1;1-1-8;2-1-2;..10..... |
4b300 | 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 31 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 | 1;1-1-1;2-1-8;..11.....6;1-1-9;1 |
4b320 | 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 32 00 10 00 00 00 39 3b 31 2d 31 | -1-28;2-1-1;2-1-2;..12.....9;1-1 |
4b340 | 2d 36 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 14 00 00 00 43 43 43 43 43 4e 28 | -6;2-1-28;....smiles.....CCCCCN( |
4b360 | 43 28 3d 4f 29 4f 43 43 29 4e 3d 4f 00 02 69 6e 63 68 69 00 3f 00 00 00 49 6e 43 68 49 3d 31 53 | C(=O)OCC)N=O..inchi.?...InChI=1S |
4b380 | 2f 43 38 48 31 36 4e 32 4f 33 2f 63 31 2d 33 2d 35 2d 36 2d 37 2d 31 30 28 39 2d 31 32 29 38 28 | /C8H16N2O3/c1-3-5-6-7-10(9-12)8( |
4b3a0 | 31 31 29 31 33 2d 34 2d 32 2f 68 33 2d 37 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f | 11)13-4-2/h3-7H2,1-2H3..updated_ |
4b3c0 | 61 74 00 f5 f7 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f4 f7 5e 46 50 01 00 00 10 | at...^FP....created_at...^FP.... |
4b3e0 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 17 02 | default_fingerprint_size........ |
4b400 | 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 93 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V..h+r.+@....warnings.... |
4b420 | 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 40 01 00 00 04 4d 50 32 44 00 35 01 00 00 02 30 | ...fingerprints.@....MP2D.5....0 |
4b440 | 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 | .....1;1-1-1;2-1-1;..1.....1;1-2 |
4b460 | 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 | -1;2-1-1;..2.....1;1-2-1;2-1-1;2 |
4b480 | 2d 31 2d 31 39 3b 00 02 33 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 | -1-19;..3.....1;1-1-1;1-1-19;2-2 |
4b4a0 | 2d 31 3b 32 2d 31 2d 36 3b 00 02 34 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b | -1;2-1-6;..4.....19;1-2-1;1-1-6; |
4b4c0 | 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 35 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d | 2-2-1;2-1-9;..5.....6;1-1-9;1-1- |
4b4e0 | 31 39 3b 32 2d 32 2d 31 3b 00 02 36 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b | 19;2-2-1;..6.....9;1-1-6;2-1-19; |
4b500 | 00 02 37 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 | ..7.....1;1-1-1;1-1-19;2-2-1;2-1 |
4b520 | 2d 36 3b 00 02 38 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b | -6;..8.....1;1-2-1;2-1-1;2-1-19; |
4b540 | 00 02 39 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 30 00 0f 00 00 00 31 | ..9.....1;1-2-1;2-1-1;..10.....1 |
4b560 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 0f 00 00 00 43 43 43 43 | ;1-1-1;2-1-1;....smiles.....CCCC |
4b580 | 4e 28 4e 3d 4f 29 43 43 43 43 00 02 69 6e 63 68 69 00 38 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | N(N=O)CCCC..inchi.8...InChI=1S/C |
4b5a0 | 38 48 31 38 4e 32 4f 2f 63 31 2d 33 2d 35 2d 37 2d 31 30 28 39 2d 31 31 29 38 2d 36 2d 34 2d 32 | 8H18N2O/c1-3-5-7-10(9-11)8-6-4-2 |
4b5c0 | 2f 68 33 2d 38 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 fb f7 5e 46 50 01 | /h3-8H2,1-2H3..updated_at...^FP. |
4b5e0 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f9 f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at...^FP....default_f |
4b600 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 41 02 00 00 07 5f 69 64 00 56 16 | ingerprint_size......A...._id.V. |
4b620 | 1c 68 2b 72 ed 2b 40 00 01 94 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | .h+r.+@....warnings.......finger |
4b640 | 70 72 69 6e 74 73 00 63 01 00 00 04 4d 50 32 44 00 58 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d | prints.c....MP2D.X....0.....1;1- |
4b660 | 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b | 1-1;2-1-1;..1.....1;1-2-1;2-1-1; |
4b680 | 00 02 32 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 33 | ..2.....1;1-2-1;2-1-1;2-1-19;..3 |
4b6a0 | 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b | .....1;1-1-1;1-1-19;2-2-1;2-1-6; |
4b6c0 | 00 02 34 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d 31 | ..4.....19;1-2-1;1-1-6;2-2-1;2-1 |
4b6e0 | 2d 39 3b 00 02 35 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b | -9;..5.....1;1-1-1;1-1-19;2-2-1; |
4b700 | 32 2d 31 2d 36 3b 00 02 36 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d | 2-1-6;..6.....1;1-2-1;2-1-1;2-1- |
4b720 | 31 39 3b 00 02 37 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 | 19;..7.....1;1-2-1;2-1-1;2-1-8;. |
4b740 | 02 38 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 00 02 39 00 0f | .8.....1;1-1-1;1-1-8;2-1-1;..9.. |
4b760 | 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 30 00 16 00 00 00 36 3b 31 2d 31 2d | ...8;1-1-1;2-1-1;..10.....6;1-1- |
4b780 | 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 31 31 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b | 9;1-1-19;2-2-1;..11.....9;1-1-6; |
4b7a0 | 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 10 00 00 00 43 43 43 43 4e 28 43 43 43 43 | 2-1-19;....smiles.....CCCCN(CCCC |
4b7c0 | 4f 29 4e 3d 4f 00 02 69 6e 63 68 69 00 3e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 31 38 4e | O)N=O..inchi.>...InChI=1S/C8H18N |
4b7e0 | 32 4f 32 2f 63 31 2d 32 2d 33 2d 36 2d 31 30 28 39 2d 31 32 29 37 2d 34 2d 35 2d 38 2d 31 31 2f | 2O2/c1-2-3-6-10(9-12)7-4-5-8-11/ |
4b800 | 68 31 31 48 2c 32 2d 38 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 00 f8 5e 46 50 | h11H,2-8H2,1H3..updated_at...^FP |
4b820 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ff f7 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at...^FP....default_ |
4b840 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 36 03 00 00 07 5f 69 64 00 56 | fingerprint_size......6...._id.V |
4b860 | 16 1c 68 2b 72 ed 2b 40 00 01 95 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..h+r.+@....warnings.......finge |
4b880 | 72 70 72 69 6e 74 73 00 37 02 00 00 04 4d 50 32 44 00 2c 02 00 00 02 30 00 0f 00 00 00 39 3b 31 | rprints.7....MP2D.,....0.....9;1 |
4b8a0 | 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 31 00 15 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 | -1-2;2-1-6;..1.....2;1-1-6;1-1-9 |
4b8c0 | 3b 32 2d 31 2d 33 3b 00 02 32 00 23 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 | ;2-1-3;..2.#...6;1-1-2;1-1-3;2-1 |
4b8e0 | 2d 39 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 33 00 23 00 00 00 33 3b 31 2d 31 2d 36 | -9;2-1-11;2-1-18;..3.#...3;1-1-6 |
4b900 | 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 00 1d | ;1-1-11;1-1-18;2-1-2;2-2-3;..4.. |
4b920 | 00 00 00 31 38 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 31 3b 00 | ...18;1-2-3;2-1-3;2-1-6;2-1-11;. |
4b940 | 02 35 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d | .5.....3;1-1-3;1-1-18;2-2-3;2-1- |
4b960 | 31 31 3b 00 02 36 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b | 11;..6.#...3;1-2-3;1-1-11;2-2-3; |
4b980 | 32 2d 31 2d 39 3b 32 2d 31 2d 31 38 3b 00 02 37 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d | 2-1-9;2-1-18;..7.....11;1-2-3;2- |
4b9a0 | 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 38 3b 00 02 38 00 1c 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-1-6;2-1-18;..8.....3;1-2-3 |
4b9c0 | 3b 31 2d 31 2d 39 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 39 00 15 00 00 00 33 3b 31 2d | ;1-1-9;2-3-3;2-1-11;..9.....3;1- |
4b9e0 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-2-3;2-1-9;..10.....3;1-2-3 |
4ba00 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 22 00 00 00 33 3b 31 | ;2-1-3;2-1-9;2-1-19;..11."...3;1 |
4ba20 | 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 | -1-3;1-1-9;1-1-19;2-2-3;2-2-9;.. |
4ba40 | 31 32 00 16 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 33 | 12.....9;1-2-3;2-3-3;2-1-19;..13 |
4ba60 | 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b | .....19;1-1-3;1-2-9;2-1-3;2-1-9; |
4ba80 | 00 02 31 34 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 | ..14.....9;1-1-19;2-1-3;2-1-9;.. |
4baa0 | 31 35 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 02 | 15.....9;1-1-19;2-1-3;2-1-9;.... |
4bac0 | 73 6d 69 6c 65 73 00 1e 00 00 00 4f 43 3d 4e 63 31 73 63 63 28 6e 31 29 63 31 63 63 63 28 6f 31 | smiles.....OC=Nc1scc(n1)c1ccc(o1 |
4bae0 | 29 4e 28 3d 4f 29 3d 4f 00 02 69 6e 63 68 69 00 51 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 | )N(=O)=O..inchi.Q...InChI=1S/C8H |
4bb00 | 35 4e 33 4f 34 53 2f 63 31 32 2d 34 2d 39 2d 38 2d 31 30 2d 35 28 33 2d 31 36 2d 38 29 36 2d 31 | 5N3O4S/c12-4-9-8-10-5(3-16-8)6-1 |
4bb20 | 2d 32 2d 37 28 31 35 2d 36 29 31 31 28 31 33 29 31 34 2f 68 31 2d 34 48 2c 28 48 2c 39 2c 31 30 | -2-7(15-6)11(13)14/h1-4H,(H,9,10 |
4bb40 | 2c 31 32 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 07 f8 5e 46 50 01 00 00 09 63 72 65 61 74 65 | ,12)..updated_at...^FP....create |
4bb60 | 64 5f 61 74 00 06 f8 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at...^FP....default_fingerprin |
4bb80 | 74 5f 73 69 7a 65 00 00 00 00 00 00 8c 03 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 | t_size..........._id.V..h+r.+@.. |
4bba0 | 96 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 83 02 | ..warnings.......fingerprints... |
4bbc0 | 00 00 04 4d 50 32 44 00 78 02 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 | ...MP2D.x....0.....1;1-1-2;2-1-6 |
4bbe0 | 3b 32 2d 31 2d 39 3b 00 02 31 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 | ;2-1-9;..1.....2;1-1-1;1-1-6;1-1 |
4bc00 | 2d 39 3b 32 2d 31 2d 33 3b 00 02 32 00 29 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 | -9;2-1-3;..2.)...6;1-1-2;1-1-3;2 |
4bc20 | 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 33 00 2a 00 00 | -1-1;2-1-9;2-1-11;2-1-18;..3.*.. |
4bc40 | 00 33 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 38 3b 32 2d 31 2d 32 3b 32 2d 31 | .3;1-1-6;1-1-11;1-1-18;2-1-2;2-1 |
4bc60 | 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 34 00 24 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 | -3;2-1-11;..4.$...11;1-1-3;1-1-1 |
4bc80 | 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 38 3b 00 02 35 00 1e 00 00 00 31 31 3b | 1;2-1-3;2-1-6;2-1-18;..5.....11; |
4bca0 | 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 36 00 2a 00 | 1-1-3;1-1-11;2-2-3;2-1-18;..6.*. |
4bcc0 | 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 33 3b 32 2d | ..3;1-1-3;1-1-11;1-1-18;2-2-3;2- |
4bce0 | 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 37 00 1d 00 00 00 31 38 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 1-9;2-1-11;..7.....18;1-2-3;2-1- |
4bd00 | 33 3b 32 2d 31 2d 36 3b 32 2d 32 2d 31 31 3b 00 02 38 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 3;2-1-6;2-2-11;..8.#...3;1-2-3;1 |
4bd20 | 2d 31 2d 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 39 00 15 00 00 | -1-9;2-2-3;2-1-11;2-1-18;..9.... |
4bd40 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 30 00 1c 00 00 00 33 3b | .3;1-2-3;2-2-3;2-1-9;..10.....3; |
4bd60 | 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 22 00 | 1-2-3;2-1-3;2-1-9;2-1-19;..11.". |
4bd80 | 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 | ..3;1-1-3;1-1-9;1-1-19;2-2-3;2-2 |
4bda0 | 2d 39 3b 00 02 31 32 00 16 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 39 | -9;..12.....9;1-2-3;2-3-3;2-1-19 |
4bdc0 | 3b 00 02 31 33 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 31 2d 33 3b 32 | ;..13.....19;1-1-3;1-2-9;2-1-3;2 |
4bde0 | 2d 31 2d 39 3b 00 02 31 34 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 | -1-9;..14.....9;1-1-19;2-1-3;2-1 |
4be00 | 2d 39 3b 00 02 31 35 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 | -9;..15.....9;1-1-19;2-1-3;2-1-9 |
4be20 | 3b 00 02 31 36 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 00 | ;..16.....9;1-1-2;2-1-1;2-1-6;.. |
4be40 | 00 02 73 6d 69 6c 65 73 00 21 00 00 00 43 43 28 3d 4e 63 31 6e 6e 63 28 73 31 29 63 31 63 63 63 | ..smiles.!...CC(=Nc1nnc(s1)c1ccc |
4be60 | 28 6f 31 29 4e 28 3d 4f 29 3d 4f 29 4f 00 02 69 6e 63 68 69 00 58 00 00 00 49 6e 43 68 49 3d 31 | (o1)N(=O)=O)O..inchi.X...InChI=1 |
4be80 | 53 2f 43 38 48 36 4e 34 4f 34 53 2f 63 31 2d 34 28 31 33 29 39 2d 38 2d 31 31 2d 31 30 2d 37 28 | S/C8H6N4O4S/c1-4(13)9-8-11-10-7( |
4bea0 | 31 37 2d 38 29 35 2d 32 2d 33 2d 36 28 31 36 2d 35 29 31 32 28 31 34 29 31 35 2f 68 32 2d 33 48 | 17-8)5-2-3-6(16-5)12(14)15/h2-3H |
4bec0 | 2c 31 48 33 2c 28 48 2c 39 2c 31 31 2c 31 33 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 0e f8 5e | ,1H3,(H,9,11,13)..updated_at...^ |
4bee0 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 0c f8 5e 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at...^FP....defaul |
4bf00 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 69 03 00 00 07 5f 69 64 | t_fingerprint_size......i...._id |
4bf20 | 00 56 16 1c 68 2b 72 ed 2b 40 00 01 97 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..h+r.+@....warnings.......fin |
4bf40 | 67 65 72 70 72 69 6e 74 73 00 60 02 00 00 04 4d 50 32 44 00 55 02 00 00 02 30 00 0f 00 00 00 39 | gerprints.`....MP2D.U....0.....9 |
4bf60 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 31 00 16 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 | ;1-1-2;2-1-6;..1.....2;1-1-6;1-1 |
4bf80 | 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 32 00 1c 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 | -9;2-1-19;..2.....6;1-1-2;1-1-19 |
4bfa0 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 24 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d | ;2-1-3;2-1-9;..3.$...19;1-1-3;1- |
4bfc0 | 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 34 00 24 00 00 00 | 1-6;2-1-2;2-1-11;2-1-18;..4.$... |
4bfe0 | 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 38 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 | 3;1-1-11;1-1-18;1-1-19;2-2-3;2-1 |
4c000 | 2d 36 3b 00 02 35 00 1e 00 00 00 31 38 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 | -6;..5.....18;1-2-3;2-1-3;2-1-11 |
4c020 | 3b 32 2d 31 2d 31 39 3b 00 02 36 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 38 3b 32 | ;2-1-19;..6.....3;1-1-3;1-1-18;2 |
4c040 | 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 37 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | -2-3;2-1-11;..7.#...3;1-2-3;1-1- |
4c060 | 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 38 3b 00 02 38 00 1e 00 00 00 31 31 | 11;2-2-3;2-1-9;2-1-18;..8.....11 |
4c080 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 31 39 3b 00 02 39 00 1c | ;1-2-3;2-2-3;2-1-18;2-1-19;..9.. |
4c0a0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 | ...3;1-2-3;1-1-9;2-3-3;2-1-11;.. |
4c0c0 | 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 31 00 | 10.....3;1-2-3;2-2-3;2-1-9;..11. |
4c0e0 | 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 | ....3;1-2-3;2-1-3;2-1-9;2-1-19;. |
4c100 | 02 31 32 00 22 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 | .12."...3;1-1-3;1-1-9;1-1-19;2-2 |
4c120 | 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 33 00 16 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b | -3;2-2-9;..13.....9;1-2-3;2-3-3; |
4c140 | 32 2d 31 2d 31 39 3b 00 02 31 34 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 | 2-1-19;..14.....19;1-1-3;1-2-9;2 |
4c160 | 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 35 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 | -1-3;2-1-9;..15.....9;1-1-19;2-1 |
4c180 | 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 36 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 | -3;2-1-9;..16.....9;1-1-19;2-1-3 |
4c1a0 | 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 1f 00 00 00 4f 43 3d 4e 4e 63 31 73 63 63 | ;2-1-9;....smiles.....OC=NNc1scc |
4c1c0 | 28 6e 31 29 63 31 63 63 63 28 6f 31 29 4e 28 3d 4f 29 3d 4f 00 02 69 6e 63 68 69 00 5a 00 00 00 | (n1)c1ccc(o1)N(=O)=O..inchi.Z... |
4c1e0 | 49 6e 43 68 49 3d 31 53 2f 43 38 48 36 4e 34 4f 34 53 2f 63 31 33 2d 34 2d 39 2d 31 31 2d 38 2d | InChI=1S/C8H6N4O4S/c13-4-9-11-8- |
4c200 | 31 30 2d 35 28 33 2d 31 37 2d 38 29 36 2d 31 2d 32 2d 37 28 31 36 2d 36 29 31 32 28 31 34 29 31 | 10-5(3-17-8)6-1-2-7(16-6)12(14)1 |
4c220 | 35 2f 68 31 2d 34 48 2c 28 48 2c 39 2c 31 33 29 28 48 2c 31 30 2c 31 31 29 00 09 75 70 64 61 74 | 5/h1-4H,(H,9,13)(H,10,11)..updat |
4c240 | 65 64 5f 61 74 00 14 f8 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 13 f8 5e 46 50 01 | ed_at...^FP....created_at...^FP. |
4c260 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
4c280 | 00 93 03 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 98 04 77 61 72 6e 69 6e 67 73 00 | ......_id.V..h+r.+@....warnings. |
4c2a0 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 8a 02 00 00 04 4d 50 32 44 00 7f 02 00 | ......fingerprints......MP2D.... |
4c2c0 | 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 31 00 22 00 00 00 32 | ..0.....9;1-1-2;2-2-28;..1."...2 |
4c2e0 | 3b 31 2d 31 2d 39 3b 31 2d 32 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b | ;1-1-9;1-2-28;2-1-1;2-1-2;2-1-6; |
4c300 | 00 02 32 00 1d 00 00 00 32 38 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 39 3b 32 2d 31 | ..2.....28;1-2-2;2-1-1;2-2-9;2-1 |
4c320 | 2d 32 38 3b 00 02 33 00 23 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 | -28;..3.#...2;1-1-1;1-1-9;1-1-28 |
4c340 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 02 34 00 29 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d | ;2-1-2;2-1-28;..4.)...1;1-1-2;1- |
4c360 | 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 | 1-28;2-1-2;2-1-6;2-1-9;2-1-28;.. |
4c380 | 35 00 29 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 32 2d 32 | 5.)...28;1-1-1;1-1-2;1-1-6;2-2-2 |
4c3a0 | 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 36 00 22 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d | ;2-1-9;2-1-28;..6."...6;1-1-2;1- |
4c3c0 | 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 37 00 22 00 00 00 32 | 1-28;2-1-1;2-1-2;2-1-3;..7."...2 |
4c3e0 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b | ;1-1-3;1-1-6;2-1-3;2-1-9;2-1-28; |
4c400 | 00 02 38 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d | ..8.!...3;1-1-2;1-1-3;1-1-9;2-2- |
4c420 | 33 3b 32 2d 31 2d 36 3b 00 02 39 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d | 3;2-1-6;..9.....3;1-2-3;2-1-2;2- |
4c440 | 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 | 1-3;2-1-9;..10.....3;1-2-3;2-1-3 |
4c460 | 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 22 00 00 00 33 3b 31 2d 31 2d 33 3b 31 | ;2-1-9;2-1-19;..11."...3;1-1-3;1 |
4c480 | 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 32 00 1c 00 00 | -1-9;1-1-19;2-2-3;2-2-9;..12.... |
4c4a0 | 00 39 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 33 | .9;1-2-3;2-1-2;2-2-3;2-1-19;..13 |
4c4c0 | 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b | .....19;1-1-3;1-2-9;2-1-3;2-1-9; |
4c4e0 | 00 02 31 34 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 | ..14.....9;1-1-19;2-1-3;2-1-9;.. |
4c500 | 31 35 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 36 | 15.....9;1-1-19;2-1-3;2-1-9;..16 |
4c520 | 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 6d | .....9;1-1-2;2-1-1;2-1-28;....sm |
4c540 | 69 6c 65 73 00 21 00 00 00 4f 3d 43 31 4e 3d 43 28 43 4e 31 4e 3d 43 63 31 63 63 63 28 6f 31 29 | iles.!...O=C1N=C(CN1N=Cc1ccc(o1) |
4c560 | 4e 28 3d 4f 29 3d 4f 29 4f 00 02 69 6e 63 68 69 00 58 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 | N(=O)=O)O..inchi.X...InChI=1S/C8 |
4c580 | 48 36 4e 34 4f 35 2f 63 31 33 2d 36 2d 34 2d 31 31 28 38 28 31 34 29 31 30 2d 36 29 39 2d 33 2d | H6N4O5/c13-6-4-11(8(14)10-6)9-3- |
4c5a0 | 35 2d 31 2d 32 2d 37 28 31 37 2d 35 29 31 32 28 31 35 29 31 36 2f 68 31 2d 33 48 2c 34 48 32 2c | 5-1-2-7(17-5)12(15)16/h1-3H,4H2, |
4c5c0 | 28 48 2c 31 30 2c 31 33 2c 31 34 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 1b f8 5e 46 50 01 00 | (H,10,13,14)..updated_at...^FP.. |
4c5e0 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 1a f8 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at...^FP....default_fi |
4c600 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 a5 01 00 00 07 5f 69 64 00 56 16 1c | ngerprint_size..........._id.V.. |
4c620 | 68 2b 72 ed 2b 40 00 01 99 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | h+r.+@....warnings.......fingerp |
4c640 | 72 69 6e 74 73 00 de 00 00 00 04 4d 50 32 44 00 d3 00 00 00 02 30 00 0f 00 00 00 32 3b 31 2d 31 | rints......MP2D......0.....2;1-1 |
4c660 | 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 | -2;2-1-3;..1.....2;1-1-2;1-1-3;2 |
4c680 | 2d 32 2d 33 3b 00 02 32 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 | -2-3;..2.....3;1-1-2;1-2-3;2-1-2 |
4c6a0 | 3b 32 2d 32 2d 33 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 | ;2-2-3;..3.....3;1-2-3;2-1-2;2-2 |
4c6c0 | 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 0f 00 00 | -3;..4.....3;1-2-3;2-2-3;..5.... |
4c6e0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | .3;1-2-3;2-2-3;..6.....3;1-2-3;2 |
4c700 | 2d 32 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 | -2-3;..7.....3;1-2-3;2-1-2;2-2-3 |
4c720 | 3b 00 00 00 02 73 6d 69 6c 65 73 00 0c 00 00 00 43 3d 43 63 31 63 63 63 63 63 31 00 02 69 6e 63 | ;....smiles.....C=Cc1ccccc1..inc |
4c740 | 68 69 00 2b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 38 2f 63 31 2d 32 2d 38 2d 36 2d 34 2d | hi.+...InChI=1S/C8H8/c1-2-8-6-4- |
4c760 | 33 2d 35 2d 37 2d 38 2f 68 32 2d 37 48 2c 31 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 21 f8 | 3-5-7-8/h2-7H,1H2..updated_at.!. |
4c780 | 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 1f f8 5e 46 50 01 00 00 10 64 65 66 61 75 | ^FP....created_at...^FP....defau |
4c7a0 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 60 02 00 00 07 5f 69 | lt_fingerprint_size......`...._i |
4c7c0 | 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 9a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..h+r.+@....warnings.......fi |
4c7e0 | 6e 67 65 72 70 72 69 6e 74 73 00 81 01 00 00 04 4d 50 32 44 00 76 01 00 00 02 30 00 10 00 00 00 | ngerprints......MP2D.v....0..... |
4c800 | 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 38 3b 00 02 31 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 | 9;1-1-6;2-1-28;..1.....6;1-1-9;1 |
4c820 | 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 22 00 00 00 32 38 3b 31 2d 31 | -1-28;2-1-1;2-1-2;..2."...28;1-1 |
4c840 | 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 02 33 00 28 | -1;1-1-2;1-1-6;2-1-3;2-2-9;..3.( |
4c860 | 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d | ...2;1-1-3;1-1-9;1-1-28;2-1-1;2- |
4c880 | 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 34 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b | 2-3;2-1-6;..4.....9;1-1-2;2-1-3; |
4c8a0 | 32 2d 31 2d 32 38 3b 00 02 35 00 22 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 | 2-1-28;..5."...3;1-1-2;1-2-3;2-2 |
4c8c0 | 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-1-9;2-1-28;..6.....3;1-2-3; |
4c8e0 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-1-2;2-2-3;..7.....3;1-2-3;2-2- |
4c900 | 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 | 3;..8.....3;1-2-3;2-2-3;..9..... |
4c920 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-2-3;2-2-3;..10.....3;1-2-3;2 |
4c940 | 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 31 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 | -1-2;2-2-3;..11.....1;1-1-28;2-1 |
4c960 | 2d 32 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 15 00 00 00 4f 3d 4e 4e 28 43 28 3d | -2;2-1-6;....smiles.....O=NN(C(= |
4c980 | 4f 29 63 31 63 63 63 63 63 31 29 43 00 02 69 6e 63 68 69 00 3a 00 00 00 49 6e 43 68 49 3d 31 53 | O)c1ccccc1)C..inchi.:...InChI=1S |
4c9a0 | 2f 43 38 48 38 4e 32 4f 32 2f 63 31 2d 31 30 28 39 2d 31 32 29 38 28 31 31 29 37 2d 35 2d 33 2d | /C8H8N2O2/c1-10(9-12)8(11)7-5-3- |
4c9c0 | 32 2d 34 2d 36 2d 37 2f 68 32 2d 36 48 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 26 f8 | 2-4-6-7/h2-6H,1H3..updated_at.&. |
4c9e0 | 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 25 f8 5e 46 50 01 00 00 10 64 65 66 61 75 | ^FP....created_at.%.^FP....defau |
4ca00 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 6a 03 00 00 07 5f 69 | lt_fingerprint_size......j...._i |
4ca20 | 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 9b 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..h+r.+@....warnings.......fi |
4ca40 | 6e 67 65 72 70 72 69 6e 74 73 00 68 02 00 00 04 4d 50 32 44 00 5d 02 00 00 02 30 00 16 00 00 00 | ngerprints.h....MP2D.]....0..... |
4ca60 | 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 00 22 00 00 00 32 3b 31 | 9;1-1-2;2-1-6;2-1-19;..1."...2;1 |
4ca80 | 2d 31 2d 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 | -1-6;1-1-9;1-1-19;2-2-1;2-1-6;.. |
4caa0 | 32 00 22 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b | 2."...6;1-1-1;1-1-2;2-1-1;2-1-9; |
4cac0 | 32 2d 31 2d 31 39 3b 00 02 33 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 | 2-1-19;..3.....1;1-1-1;1-1-6;2-1 |
4cae0 | 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 34 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 | -2;2-1-19;..4.....1;1-1-1;1-1-19 |
4cb00 | 3b 32 2d 31 2d 32 3b 32 2d 32 2d 36 3b 00 02 35 00 2e 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d | ;2-1-2;2-2-6;..5.....19;1-1-1;1- |
4cb20 | 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d | 1-2;1-1-6;2-1-1;2-1-2;2-1-6;2-1- |
4cb40 | 39 3b 00 02 36 00 22 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 | 9;..6."...6;1-1-2;1-1-19;2-1-1;2 |
4cb60 | 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 37 00 22 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 | -1-2;2-1-3;..7."...2;1-1-3;1-1-6 |
4cb80 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 38 00 21 00 00 00 33 3b 31 2d | ;2-1-3;2-1-9;2-1-19;..8.!...3;1- |
4cba0 | 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 39 00 | 1-2;1-1-3;1-1-9;2-2-3;2-1-6;..9. |
4cbc0 | 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 | ....3;1-2-3;2-1-2;2-1-3;2-1-9;.. |
4cbe0 | 31 30 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 | 10.....3;1-2-3;2-1-3;2-1-9;2-1-1 |
4cc00 | 39 3b 00 02 31 31 00 22 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b | 9;..11."...3;1-1-3;1-1-9;1-1-19; |
4cc20 | 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 32 00 1c 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 31 | 2-2-3;2-2-9;..12.....9;1-2-3;2-1 |
4cc40 | 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 1c 00 00 00 31 39 3b 31 2d 31 2d | -2;2-2-3;2-1-19;..13.....19;1-1- |
4cc60 | 33 3b 31 2d 32 2d 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 34 00 16 00 00 00 39 3b 31 | 3;1-2-9;2-1-3;2-1-9;..14.....9;1 |
4cc80 | 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 35 00 16 00 00 00 39 3b 31 2d 31 | -1-19;2-1-3;2-1-9;..15.....9;1-1 |
4cca0 | 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 1d 00 00 00 4f | -19;2-1-3;2-1-9;....smiles.....O |
4ccc0 | 43 31 3d 4e 43 43 4e 31 4e 3d 43 63 31 63 63 63 28 6f 31 29 4e 28 3d 4f 29 3d 4f 00 02 69 6e 63 | C1=NCCN1N=Cc1ccc(o1)N(=O)=O..inc |
4cce0 | 68 69 00 55 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 38 4e 34 4f 34 2f 63 31 33 2d 38 2d 39 | hi.U...InChI=1S/C8H8N4O4/c13-8-9 |
4cd00 | 2d 33 2d 34 2d 31 31 28 38 29 31 30 2d 35 2d 36 2d 31 2d 32 2d 37 28 31 36 2d 36 29 31 32 28 31 | -3-4-11(8)10-5-6-1-2-7(16-6)12(1 |
4cd20 | 34 29 31 35 2f 68 31 2d 32 2c 35 48 2c 33 2d 34 48 32 2c 28 48 2c 39 2c 31 33 29 00 09 75 70 64 | 4)15/h1-2,5H,3-4H2,(H,9,13)..upd |
4cd40 | 61 74 65 64 5f 61 74 00 2e f8 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 2d f8 5e 46 | ated_at...^FP....created_at.-.^F |
4cd60 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
4cd80 | 00 00 00 f4 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 9c 04 77 61 72 6e 69 6e 67 | ........_id.V..h+r.+@....warning |
4cda0 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 24 01 00 00 04 4d 50 32 44 00 19 | s.......fingerprints.$....MP2D.. |
4cdc0 | 01 00 00 02 30 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 | ....0.....8;1-2-1;2-2-1;2-1-3;.. |
4cde0 | 31 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b | 1.!...1;1-1-1;1-1-8;2-1-1;2-1-3; |
4ce00 | 32 2d 31 2d 38 3b 00 02 32 00 27 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d | 2-1-8;..2.'...1;1-1-1;1-1-3;1-1- |
4ce20 | 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 00 21 00 00 00 33 3b 31 2d | 8;2-1-1;2-2-3;2-1-8;..3.!...3;1- |
4ce40 | 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 | 1-1;1-2-3;2-1-1;2-2-3;2-1-8;..4. |
4ce60 | 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 0f 00 00 00 | ....3;1-2-3;2-1-1;2-2-3;..5..... |
4ce80 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 3;1-2-3;2-2-3;..6.....3;1-2-3;2- |
4cea0 | 32 2d 33 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 | 2-3;..7.....3;1-2-3;2-2-3;..8... |
4cec0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 | ..3;1-2-3;2-1-1;2-2-3;....smiles |
4cee0 | 00 0e 00 00 00 4f 31 43 43 31 63 31 63 63 63 63 63 31 00 02 69 6e 63 68 69 00 32 00 00 00 49 6e | .....O1CC1c1ccccc1..inchi.2...In |
4cf00 | 43 68 49 3d 31 53 2f 43 38 48 38 4f 2f 63 31 2d 32 2d 34 2d 37 28 35 2d 33 2d 31 29 38 2d 36 2d | ChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6- |
4cf20 | 39 2d 38 2f 68 31 2d 35 2c 38 48 2c 36 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 34 f8 5e 46 | 9-8/h1-5,8H,6H2..updated_at.4.^F |
4cf40 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 33 f8 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at.3.^FP....default |
4cf60 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 3c 02 00 00 07 5f 69 64 00 | _fingerprint_size......<...._id. |
4cf80 | 56 16 1c 68 2b 72 ed 2b 40 00 01 9d 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..h+r.+@....warnings.......fing |
4cfa0 | 65 72 70 72 69 6e 74 73 00 57 01 00 00 04 4d 50 32 44 00 4c 01 00 00 02 30 00 0f 00 00 00 38 3b | erprints.W....MP2D.L....0.....8; |
4cfc0 | 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 1-1-3;2-2-3;..1.....3;1-2-3;1-1- |
4cfe0 | 38 3b 32 2d 32 2d 33 3b 00 02 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | 8;2-2-3;..2.....3;1-2-3;2-2-3;2- |
4d000 | 31 2d 38 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b | 1-8;..3.....3;1-2-3;2-2-3;2-1-6; |
4d020 | 00 02 34 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d | ..4.....3;1-2-3;1-1-6;2-1-2;2-2- |
4d040 | 33 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 | 3;..5.....3;1-2-3;2-2-3;2-1-6;.. |
4d060 | 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 21 00 | 6.....3;1-2-3;2-2-3;2-1-8;..7.!. |
4d080 | 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d | ..6;1-1-2;1-1-3;2-1-1;2-2-3;2-1- |
4d0a0 | 39 3b 00 02 38 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d | 9;..8.....2;1-1-1;1-1-6;1-1-9;2- |
4d0c0 | 31 2d 33 3b 00 02 39 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b | 1-3;..9.....9;1-1-2;2-1-1;2-1-6; |
4d0e0 | 00 02 31 30 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 00 00 | ..10.....1;1-1-2;2-1-6;2-1-9;... |
4d100 | 02 73 6d 69 6c 65 73 00 13 00 00 00 4f 63 31 63 63 63 28 63 63 31 29 4e 3d 43 28 4f 29 43 00 02 | .smiles.....Oc1ccc(cc1)N=C(O)C.. |
4d120 | 69 6e 63 68 69 00 42 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 39 4e 4f 32 2f 63 31 2d 36 28 | inchi.B...InChI=1S/C8H9NO2/c1-6( |
4d140 | 31 30 29 39 2d 37 2d 32 2d 34 2d 38 28 31 31 29 35 2d 33 2d 37 2f 68 32 2d 35 2c 31 31 48 2c 31 | 10)9-7-2-4-8(11)5-3-7/h2-5,11H,1 |
4d160 | 48 33 2c 28 48 2c 39 2c 31 30 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 3a f8 5e 46 50 01 00 00 | H3,(H,9,10)..updated_at.:.^FP... |
4d180 | 09 63 72 65 61 74 65 64 5f 61 74 00 39 f8 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.9.^FP....default_fin |
4d1a0 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 6a 03 00 00 07 5f 69 64 00 56 16 1c 68 | gerprint_size......j...._id.V..h |
4d1c0 | 2b 72 ed 2b 40 00 01 9e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.+@....warnings.......fingerpr |
4d1e0 | 69 6e 74 73 00 61 02 00 00 04 4d 50 32 44 00 56 02 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d | ints.a....MP2D.V....0.....1;1-1- |
4d200 | 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 00 16 00 00 00 35 3b 31 2d 32 2d 31 3b 31 | 5;2-1-1;2-1-19;..1.....5;1-2-1;1 |
4d220 | 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 00 02 32 00 24 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 | -1-19;2-1-3;..2.$...19;1-1-3;1-1 |
4d240 | 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 33 00 24 00 00 00 33 | -5;2-2-1;2-1-11;2-1-18;..3.$...3 |
4d260 | 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 38 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d | ;1-1-11;1-1-18;1-1-19;2-2-3;2-1- |
4d280 | 35 3b 00 02 34 00 1e 00 00 00 31 38 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b | 5;..4.....18;1-2-3;2-1-3;2-1-11; |
4d2a0 | 32 2d 31 2d 31 39 3b 00 02 35 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 38 3b 32 2d | 2-1-19;..5.....3;1-1-3;1-1-18;2- |
4d2c0 | 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 36 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | 2-3;2-1-11;..6.#...3;1-2-3;1-1-1 |
4d2e0 | 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 38 3b 00 02 37 00 1e 00 00 00 31 31 3b | 1;2-2-3;2-1-9;2-1-18;..7.....11; |
4d300 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 31 39 3b 00 02 38 00 1c 00 | 1-2-3;2-2-3;2-1-18;2-1-19;..8... |
4d320 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 39 | ..3;1-2-3;1-1-9;2-3-3;2-1-11;..9 |
4d340 | 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 30 00 1c 00 | .....3;1-2-3;2-2-3;2-1-9;..10... |
4d360 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 | ..3;1-2-3;2-1-3;2-1-9;2-1-19;..1 |
4d380 | 31 00 22 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 | 1."...3;1-1-3;1-1-9;1-1-19;2-2-3 |
4d3a0 | 3b 32 2d 32 2d 39 3b 00 02 31 32 00 16 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d | ;2-2-9;..12.....9;1-2-3;2-3-3;2- |
4d3c0 | 31 2d 31 39 3b 00 02 31 33 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 31 | 1-19;..13.....19;1-1-3;1-2-9;2-1 |
4d3e0 | 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 34 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 | -3;2-1-9;..14.....9;1-1-19;2-1-3 |
4d400 | 3b 32 2d 31 2d 39 3b 00 02 31 35 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 | ;2-1-9;..15.....9;1-1-19;2-1-3;2 |
4d420 | 2d 31 2d 39 3b 00 02 31 36 00 16 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d | -1-9;..16.....1;1-1-5;2-1-1;2-1- |
4d440 | 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 20 00 00 00 43 4e 28 4e 63 31 73 63 63 28 6e 31 29 63 | 19;....smiles.....CN(Nc1scc(n1)c |
4d460 | 31 63 63 63 28 6f 31 29 4e 28 3d 4f 29 3d 4f 29 43 00 02 69 6e 63 68 69 00 59 00 00 00 49 6e 43 | 1ccc(o1)N(=O)=O)C..inchi.Y...InC |
4d480 | 68 49 3d 31 53 2f 43 39 48 31 30 4e 34 4f 33 53 2f 63 31 2d 31 32 28 32 29 31 31 2d 39 2d 31 30 | hI=1S/C9H10N4O3S/c1-12(2)11-9-10 |
4d4a0 | 2d 36 28 35 2d 31 37 2d 39 29 37 2d 33 2d 34 2d 38 28 31 36 2d 37 29 31 33 28 31 34 29 31 35 2f | -6(5-17-9)7-3-4-8(16-7)13(14)15/ |
4d4c0 | 68 33 2d 35 48 2c 31 2d 32 48 33 2c 28 48 2c 31 30 2c 31 31 29 00 09 75 70 64 61 74 65 64 5f 61 | h3-5H,1-2H3,(H,10,11)..updated_a |
4d4e0 | 74 00 41 f8 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 3f f8 5e 46 50 01 00 00 10 64 | t.A.^FP....created_at.?.^FP....d |
4d500 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 99 03 00 | efault_fingerprint_size......... |
4d520 | 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 9f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V..h+r.+@....warnings..... |
4d540 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 8b 02 00 00 04 4d 50 32 44 00 80 02 00 00 02 30 00 | ..fingerprints......MP2D......0. |
4d560 | 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 00 1c 00 00 00 | ....1;1-1-1;2-1-1;2-1-6;..1..... |
4d580 | 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 32 00 22 | 1;1-2-1;1-1-6;2-1-2;2-1-19;..2." |
4d5a0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d | ...1;1-1-1;1-1-19;2-1-1;2-1-2;2- |
4d5c0 | 32 2d 36 3b 00 02 33 00 2e 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 | 2-6;..3.....19;1-1-1;1-1-2;1-1-6 |
4d5e0 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 34 00 22 00 00 | ;2-1-1;2-1-2;2-1-6;2-1-9;..4.".. |
4d600 | 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d | .2;1-1-6;1-1-9;1-1-19;2-2-1;2-1- |
4d620 | 36 3b 00 02 35 00 22 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d | 6;..5."...6;1-1-1;1-1-2;2-2-1;2- |
4d640 | 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 36 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 | 1-9;2-1-19;..6.....9;1-1-2;2-1-6 |
4d660 | 3b 32 2d 31 2d 31 39 3b 00 02 37 00 22 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 | ;2-1-19;..7."...6;1-1-2;1-1-19;2 |
4d680 | 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 38 00 22 00 00 00 32 3b 31 2d 31 2d 33 | -1-1;2-1-2;2-1-3;..8."...2;1-1-3 |
4d6a0 | 3b 31 2d 31 2d 36 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 39 00 21 00 | ;1-1-6;2-1-3;2-1-9;2-1-19;..9.!. |
4d6c0 | 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d | ..3;1-1-2;1-1-3;1-1-9;2-2-3;2-1- |
4d6e0 | 36 3b 00 02 31 30 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 | 6;..10.....3;1-2-3;2-1-2;2-1-3;2 |
4d700 | 2d 31 2d 39 3b 00 02 31 31 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d | -1-9;..11.....3;1-2-3;2-1-3;2-1- |
4d720 | 39 3b 32 2d 31 2d 31 39 3b 00 02 31 32 00 22 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b | 9;2-1-19;..12."...3;1-1-3;1-1-9; |
4d740 | 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 33 00 1c 00 00 00 39 3b 31 2d | 1-1-19;2-2-3;2-2-9;..13.....9;1- |
4d760 | 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 34 00 1c 00 00 00 | 2-3;2-1-2;2-2-3;2-1-19;..14..... |
4d780 | 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 35 00 | 19;1-1-3;1-2-9;2-1-3;2-1-9;..15. |
4d7a0 | 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 36 00 16 00 | ....9;1-1-19;2-1-3;2-1-9;..16... |
4d7c0 | 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 | ..9;1-1-19;2-1-3;2-1-9;....smile |
4d7e0 | 73 00 22 00 00 00 43 43 31 43 4e 28 43 28 3d 4e 31 29 4f 29 4e 3d 43 63 31 63 63 63 28 6f 31 29 | s."...CC1CN(C(=N1)O)N=Cc1ccc(o1) |
4d800 | 4e 28 3d 4f 29 3d 4f 00 02 69 6e 63 68 69 00 5c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 | N(=O)=O..inchi.\...InChI=1S/C9H1 |
4d820 | 30 4e 34 4f 34 2f 63 31 2d 36 2d 35 2d 31 32 28 39 28 31 34 29 31 31 2d 36 29 31 30 2d 34 2d 37 | 0N4O4/c1-6-5-12(9(14)11-6)10-4-7 |
4d840 | 2d 32 2d 33 2d 38 28 31 37 2d 37 29 31 33 28 31 35 29 31 36 2f 68 32 2d 34 2c 36 48 2c 35 48 32 | -2-3-8(17-7)13(15)16/h2-4,6H,5H2 |
4d860 | 2c 31 48 33 2c 28 48 2c 31 31 2c 31 34 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 47 f8 5e 46 50 | ,1H3,(H,11,14)..updated_at.G.^FP |
4d880 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 46 f8 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.F.^FP....default_ |
4d8a0 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 bb 02 00 00 07 5f 69 64 00 56 | fingerprint_size..........._id.V |
4d8c0 | 16 1c 68 2b 72 ed 2b 40 00 01 a0 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..h+r.+@....warnings.......finge |
4d8e0 | 72 70 72 69 6e 74 73 00 c4 01 00 00 04 4d 50 32 44 00 b9 01 00 00 02 30 00 10 00 00 00 35 3b 31 | rprints......MP2D......0.....5;1 |
4d900 | 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 00 02 31 00 1e 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 | -1-19;2-1-3;..1.....19;1-1-3;1-1 |
4d920 | 2d 35 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 32 00 24 00 00 00 33 3b 31 2d 31 2d 31 | -5;2-1-11;2-1-18;..2.$...3;1-1-1 |
4d940 | 31 3b 31 2d 31 2d 31 38 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 00 02 33 00 | 1;1-1-18;1-1-19;2-2-3;2-1-5;..3. |
4d960 | 1e 00 00 00 31 38 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 | ....18;1-2-3;2-1-3;2-1-11;2-1-19 |
4d980 | 3b 00 02 34 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 33 3b 32 2d | ;..4.....3;1-1-3;1-1-18;2-2-3;2- |
4d9a0 | 31 2d 31 31 3b 00 02 35 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d | 1-11;..5.....3;1-2-3;1-1-11;2-3- |
4d9c0 | 33 3b 32 2d 31 2d 31 38 3b 00 02 36 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | 3;2-1-18;..6.....11;1-2-3;2-2-3; |
4d9e0 | 32 2d 31 2d 31 38 3b 32 2d 31 2d 31 39 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d | 2-1-18;2-1-19;..7.....3;1-3-3;2- |
4da00 | 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 | 3-3;2-1-11;..8.....3;1-2-3;2-3-3 |
4da20 | 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 | ;..9.....3;1-2-3;2-2-3;2-1-19;.. |
4da40 | 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 31 31 | 10.....3;1-2-3;1-1-19;2-2-3;..11 |
4da60 | 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 32 00 0f | .....3;1-2-3;2-2-3;2-1-19;..12.. |
4da80 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 33 00 10 00 00 00 31 39 3b 31 2d 31 | ...3;1-2-3;2-3-3;..13.....19;1-1 |
4daa0 | 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 17 00 00 00 4e 4e 63 31 73 63 63 28 | -3;2-2-3;....smiles.....NNc1scc( |
4dac0 | 6e 31 29 63 31 63 63 63 28 63 63 31 29 4e 00 02 69 6e 63 68 69 00 50 00 00 00 49 6e 43 68 49 3d | n1)c1ccc(cc1)N..inchi.P...InChI= |
4dae0 | 31 53 2f 43 39 48 31 30 4e 34 53 2f 63 31 30 2d 37 2d 33 2d 31 2d 36 28 32 2d 34 2d 37 29 38 2d | 1S/C9H10N4S/c10-7-3-1-6(2-4-7)8- |
4db00 | 35 2d 31 34 2d 39 28 31 32 2d 38 29 31 33 2d 31 31 2f 68 31 2d 35 48 2c 31 30 2d 31 31 48 32 2c | 5-14-9(12-8)13-11/h1-5H,10-11H2, |
4db20 | 28 48 2c 31 32 2c 31 33 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 4e f8 5e 46 50 01 00 00 09 63 | (H,12,13)..updated_at.N.^FP....c |
4db40 | 72 65 61 74 65 64 5f 61 74 00 4c f8 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.L.^FP....default_finge |
4db60 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 2d 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 | rprint_size......-...._id.V..h+r |
4db80 | ed 2b 40 00 01 a1 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .+@....warnings.......fingerprin |
4dba0 | 74 73 00 51 01 00 00 04 4d 50 32 44 00 46 01 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b | ts.Q....MP2D.F....0.....8;1-2-1; |
4dbc0 | 32 2d 33 2d 31 3b 00 02 31 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d | 2-3-1;..1.....1;1-1-1;1-1-8;2-2- |
4dbe0 | 31 3b 32 2d 31 2d 38 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d | 1;2-1-8;..2.....1;1-2-1;1-1-8;2- |
4dc00 | 31 2d 31 3b 32 2d 32 2d 38 3b 00 02 33 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b | 1-1;2-2-8;..3.!...1;1-1-1;1-1-8; |
4dc20 | 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 1b 00 00 00 38 3b 31 2d 31 2d | 2-1-1;2-1-3;2-1-8;..4.....8;1-1- |
4dc40 | 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 1b 00 00 00 33 3b 31 2d | 1;1-1-3;2-1-1;2-2-3;..5.....3;1- |
4dc60 | 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 33 3b | 2-3;1-1-8;2-1-1;2-2-3;..6.....3; |
4dc80 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d | 1-2-3;2-2-3;2-1-8;..7.....3;1-2- |
4dca0 | 33 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 | 3;2-2-3;..8.....3;1-2-3;2-2-3;.. |
4dcc0 | 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 15 00 00 00 33 3b 31 | 9.....3;1-2-3;2-2-3;..10.....3;1 |
4dce0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 10 00 00 00 | -2-3;2-2-3;2-1-8;....smiles..... |
4dd00 | 4f 31 43 43 31 43 4f 63 31 63 63 63 63 63 31 00 02 69 6e 63 68 69 00 3c 00 00 00 49 6e 43 68 49 | O1CC1COc1ccccc1..inchi.<...InChI |
4dd20 | 3d 31 53 2f 43 39 48 31 30 4f 32 2f 63 31 2d 32 2d 34 2d 38 28 35 2d 33 2d 31 29 31 30 2d 36 2d | =1S/C9H10O2/c1-2-4-8(5-3-1)10-6- |
4dd40 | 39 2d 37 2d 31 31 2d 39 2f 68 31 2d 35 2c 39 48 2c 36 2d 37 48 32 00 09 75 70 64 61 74 65 64 5f | 9-7-11-9/h1-5,9H,6-7H2..updated_ |
4dd60 | 61 74 00 54 f8 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 52 f8 5e 46 50 01 00 00 10 | at.T.^FP....created_at.R.^FP.... |
4dd80 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 93 02 | default_fingerprint_size........ |
4dda0 | 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 a2 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V..h+r.+@....warnings.... |
4ddc0 | 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a0 01 00 00 04 4d 50 32 44 00 95 01 00 00 02 30 | ...fingerprints......MP2D......0 |
4dde0 | 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 00 1d 00 | .....1;1-1-28;2-1-1;2-1-2;..1... |
4de00 | 00 00 32 38 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 | ..28;1-2-1;1-1-2;2-1-9;2-1-28;.. |
4de20 | 32 00 1c 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 32 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 | 2.....2;1-1-9;1-2-28;2-2-1;2-1-3 |
4de40 | 3b 00 02 33 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 34 00 23 00 00 00 | ;..3.....9;1-1-2;2-2-28;..4.#... |
4de60 | 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 | 28;1-1-2;1-1-3;2-2-3;2-1-9;2-1-2 |
4de80 | 38 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 | 8;..5.....3;1-2-3;1-1-28;2-1-2;2 |
4dea0 | 2d 32 2d 33 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 | -2-3;..6.....3;1-2-3;2-2-3;2-1-2 |
4dec0 | 38 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 | 8;..7.....3;1-2-3;2-2-3;2-1-15;. |
4dee0 | 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 39 00 | .8.....3;1-2-3;1-1-15;2-2-3;..9. |
4df00 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 30 00 16 00 | ....3;1-2-3;2-2-3;2-1-15;..10... |
4df20 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 31 00 10 00 00 00 | ..3;1-2-3;2-2-3;2-1-28;..11..... |
4df40 | 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 | 15;1-1-3;2-2-3;..12.....1;1-1-28 |
4df60 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 18 00 00 00 43 4e 28 43 | ;2-1-1;2-1-2;....smiles.....CN(C |
4df80 | 28 3d 4f 29 4e 63 31 63 63 63 28 63 63 31 29 43 6c 29 43 00 02 69 6e 63 68 69 00 4b 00 00 00 49 | (=O)Nc1ccc(cc1)Cl)C..inchi.K...I |
4dfa0 | 6e 43 68 49 3d 31 53 2f 43 39 48 31 31 43 6c 4e 32 4f 2f 63 31 2d 31 32 28 32 29 39 28 31 33 29 | nChI=1S/C9H11ClN2O/c1-12(2)9(13) |
4dfc0 | 31 31 2d 38 2d 35 2d 33 2d 37 28 31 30 29 34 2d 36 2d 38 2f 68 33 2d 36 48 2c 31 2d 32 48 33 2c | 11-8-5-3-7(10)4-6-8/h3-6H,1-2H3, |
4dfe0 | 28 48 2c 31 31 2c 31 33 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 5a f8 5e 46 50 01 00 00 09 63 | (H,11,13)..updated_at.Z.^FP....c |
4e000 | 72 65 61 74 65 64 5f 61 74 00 58 f8 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.X.^FP....default_finge |
4e020 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 af 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 | rprint_size..........._id.V..h+r |
4e040 | ed 2b 40 00 01 a3 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .+@....warnings.......fingerprin |
4e060 | 74 73 00 c2 01 00 00 04 4d 50 32 44 00 b7 01 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b | ts......MP2D......0.....9;1-1-6; |
4e080 | 32 2d 31 2d 31 39 3b 00 02 31 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d | 2-1-19;..1.....6;1-1-9;1-1-19;2- |
4e0a0 | 32 2d 31 3b 00 02 32 00 22 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 | 2-1;..2."...19;1-2-1;1-1-6;2-2-1 |
4e0c0 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | ;2-1-3;2-1-9;..3.....1;1-1-1;1-1 |
4e0e0 | 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 34 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b | -19;2-2-1;2-1-6;..4.....1;1-2-1; |
4e100 | 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 35 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 | 2-1-1;2-1-19;..5.....1;1-2-1;2-1 |
4e120 | 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 36 00 28 00 00 00 31 3b 31 2d 31 2d 31 3b | -1;2-1-3;2-1-19;..6.(...1;1-1-1; |
4e140 | 31 2d 31 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 | 1-1-3;1-1-19;2-2-1;2-2-3;2-1-6;. |
4e160 | 02 37 00 29 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 | .7.)...3;1-1-1;1-2-3;2-1-1;2-1-3 |
4e180 | 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | ;2-1-11;2-1-19;..8.....3;1-2-3;2 |
4e1a0 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 | -1-1;2-2-3;..9.....3;1-2-3;2-1-3 |
4e1c0 | 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b | ;2-1-11;..10.....3;1-1-3;1-1-11; |
4e1e0 | 32 2d 32 2d 33 3b 00 02 31 31 00 10 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 | 2-2-3;..11.....11;1-2-3;2-2-3;.. |
4e200 | 31 32 00 1c 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d | 12.....3;1-1-3;1-1-11;2-1-1;2-2- |
4e220 | 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 13 00 00 00 4f 3d 4e 4e 31 43 43 43 43 31 63 31 63 63 63 | 3;....smiles.....O=NN1CCCC1c1ccc |
4e240 | 6e 63 31 00 02 69 6e 63 68 69 00 4a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 31 4e 33 4f | nc1..inchi.J...InChI=1S/C9H11N3O |
4e260 | 2f 63 31 33 2d 31 31 2d 31 32 2d 36 2d 32 2d 34 2d 39 28 31 32 29 38 2d 33 2d 31 2d 35 2d 31 30 | /c13-11-12-6-2-4-9(12)8-3-1-5-10 |
4e280 | 2d 37 2d 38 2f 68 31 2c 33 2c 35 2c 37 2c 39 48 2c 32 2c 34 2c 36 48 32 00 09 75 70 64 61 74 65 | -7-8/h1,3,5,7,9H,2,4,6H2..update |
4e2a0 | 64 5f 61 74 00 60 f8 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 5f f8 5e 46 50 01 00 | d_at.`.^FP....created_at._.^FP.. |
4e2c0 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 | ..default_fingerprint_size...... |
4e2e0 | e5 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 a4 04 77 61 72 6e 69 6e 67 73 00 05 | ....._id.V..h+r.+@....warnings.. |
4e300 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 f0 01 00 00 04 4d 50 32 44 00 e5 01 00 00 | .....fingerprints......MP2D..... |
4e320 | 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 00 16 00 00 00 36 3b | .0.....9;1-1-6;2-1-19;..1.....6; |
4e340 | 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 32 00 22 00 00 00 31 39 3b 31 2d | 1-1-9;1-1-19;2-2-1;..2."...19;1- |
4e360 | 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 | 2-1;1-1-6;2-2-1;2-1-3;2-1-9;..3. |
4e380 | 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 | ....1;1-1-1;1-1-19;2-2-1;2-1-6;. |
4e3a0 | 02 34 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 35 00 | .4.....1;1-2-1;2-1-1;2-1-19;..5. |
4e3c0 | 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 39 3b 00 | ....1;1-2-1;2-1-1;2-1-3;2-1-19;. |
4e3e0 | 02 36 00 28 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d | .6.(...1;1-1-1;1-1-3;1-1-19;2-2- |
4e400 | 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 37 00 29 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d | 1;2-2-3;2-1-6;..7.)...3;1-1-1;1- |
4e420 | 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 | 2-3;2-1-1;2-1-3;2-1-11;2-1-19;.. |
4e440 | 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 16 00 | 8.....3;1-2-3;2-1-1;2-2-3;..9... |
4e460 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 1d 00 00 00 | ..3;1-2-3;2-1-3;2-1-11;..10..... |
4e480 | 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 31 | 3;1-1-3;1-1-11;2-2-3;2-1-32;..11 |
4e4a0 | 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 31 32 00 | .....11;1-2-3;1-1-32;2-2-3;..12. |
4e4c0 | 11 00 00 00 33 32 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 33 00 23 00 00 00 33 3b 31 | ....32;1-1-11;2-2-3;..13.#...3;1 |
4e4e0 | 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 32 3b 00 | -1-3;1-1-11;2-1-1;2-2-3;2-1-32;. |
4e500 | 00 00 02 73 6d 69 6c 65 73 00 17 00 00 00 4f 3d 4e 4e 31 43 43 43 43 31 63 31 63 63 63 6e 28 3d | ...smiles.....O=NN1CCCC1c1cccn(= |
4e520 | 4f 29 63 31 00 02 69 6e 63 68 69 00 4e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 31 4e 33 | O)c1..inchi.N...InChI=1S/C9H11N3 |
4e540 | 4f 32 2f 63 31 33 2d 31 30 2d 31 32 2d 36 2d 32 2d 34 2d 39 28 31 32 29 38 2d 33 2d 31 2d 35 2d | O2/c13-10-12-6-2-4-9(12)8-3-1-5- |
4e560 | 31 31 28 31 34 29 37 2d 38 2f 68 31 2c 33 2c 35 2c 37 2c 39 48 2c 32 2c 34 2c 36 48 32 00 09 75 | 11(14)7-8/h1,3,5,7,9H,2,4,6H2..u |
4e580 | 70 64 61 74 65 64 5f 61 74 00 66 f8 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 65 f8 | pdated_at.f.^FP....created_at.e. |
4e5a0 | 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | ^FP....default_fingerprint_size. |
4e5c0 | 00 00 00 00 00 d6 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 a5 04 77 61 72 6e 69 | .........._id.V..h+r.+@....warni |
4e5e0 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 06 01 00 00 04 4d 50 32 44 | ngs.......fingerprints......MP2D |
4e600 | 00 fb 00 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 15 00 | ......0.....1;1-1-3;2-2-3;..1... |
4e620 | 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 15 00 00 00 33 3b | ..3;1-1-1;1-2-3;2-2-3;..2.....3; |
4e640 | 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d | 1-2-3;2-1-1;2-2-3;..3.....3;1-2- |
4e660 | 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d | 3;2-1-1;2-2-3;..4.....3;1-1-1;1- |
4e680 | 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b | 2-3;2-1-1;2-2-3;..5.....3;1-1-1; |
4e6a0 | 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d | 1-2-3;2-1-1;2-2-3;..6.....3;1-2- |
4e6c0 | 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d | 3;2-2-1;2-2-3;..7.....1;1-1-3;2- |
4e6e0 | 32 2d 33 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d | 2-3;..8.....1;1-1-3;2-2-3;....sm |
4e700 | 69 6c 65 73 00 10 00 00 00 43 63 31 63 63 63 28 63 28 63 31 29 43 29 43 00 02 69 6e 63 68 69 00 | iles.....Cc1ccc(c(c1)C)C..inchi. |
4e720 | 30 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 32 2f 63 31 2d 37 2d 34 2d 35 2d 38 28 32 29 | 0...InChI=1S/C9H12/c1-7-4-5-8(2) |
4e740 | 39 28 33 29 36 2d 37 2f 68 34 2d 36 48 2c 31 2d 33 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 | 9(3)6-7/h4-6H,1-3H3..updated_at. |
4e760 | 6c f8 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 6b f8 5e 46 50 01 00 00 10 64 65 66 | l.^FP....created_at.k.^FP....def |
4e780 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 50 02 00 00 07 | ault_fingerprint_size......P.... |
4e7a0 | 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 a6 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..h+r.+@....warnings....... |
4e7c0 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 6e 01 00 00 04 4d 50 32 44 00 63 01 00 00 02 30 00 10 00 | fingerprints.n....MP2D.c....0... |
4e7e0 | 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 00 16 00 00 00 36 3b 31 2d 31 2d 39 | ..9;1-1-6;2-1-19;..1.....6;1-1-9 |
4e800 | 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 32 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 | ;1-1-19;2-2-1;..2.....19;1-2-1;1 |
4e820 | 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 22 00 00 00 31 3b 31 2d 31 2d 31 | -1-6;2-1-1;2-1-9;..3."...1;1-1-1 |
4e840 | 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 00 02 34 00 1c 00 | ;1-1-19;2-1-1;2-1-3;2-1-6;..4... |
4e860 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 35 | ..1;1-1-1;1-1-3;2-2-3;2-1-19;..5 |
4e880 | 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | .....3;1-1-1;1-2-3;2-1-1;2-2-3;. |
4e8a0 | 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 0f | .6.....3;1-2-3;2-1-1;2-2-3;..7.. |
4e8c0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | ...3;1-2-3;2-2-3;..8.....3;1-2-3 |
4e8e0 | 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | ;2-2-3;..9.....3;1-2-3;2-2-3;..1 |
4e900 | 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 16 | 0.....3;1-2-3;2-1-1;2-2-3;..11.. |
4e920 | 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c | ...1;1-1-19;2-1-1;2-1-6;....smil |
4e940 | 65 73 00 12 00 00 00 4f 3d 4e 4e 28 43 43 63 31 63 63 63 63 63 31 29 43 00 02 69 6e 63 68 69 00 | es.....O=NN(CCc1ccccc1)C..inchi. |
4e960 | 40 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 32 4e 32 4f 2f 63 31 2d 31 31 28 31 30 2d 31 | @...InChI=1S/C9H12N2O/c1-11(10-1 |
4e980 | 32 29 38 2d 37 2d 39 2d 35 2d 33 2d 32 2d 34 2d 36 2d 39 2f 68 32 2d 36 48 2c 37 2d 38 48 32 2c | 2)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2, |
4e9a0 | 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 72 f8 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 | 1H3..updated_at.r.^FP....created |
4e9c0 | 5f 61 74 00 71 f8 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at.q.^FP....default_fingerprint |
4e9e0 | 5f 73 69 7a 65 00 00 00 00 00 00 99 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 a7 | _size..........._id.V..h+r.+@... |
4ea00 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a4 01 00 | .warnings.......fingerprints.... |
4ea20 | 00 04 4d 50 32 44 00 99 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b | ..MP2D......0.....1;1-1-1;2-1-8; |
4ea40 | 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 32 00 | ..1.....1;1-1-1;1-1-8;2-1-3;..2. |
4ea60 | 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 | ....8;1-1-1;1-1-3;2-1-1;2-2-3;.. |
4ea80 | 33 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | 3.....3;1-2-3;1-1-8;2-1-1;2-2-3; |
4eaa0 | 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 00 | ..4.....3;1-2-3;2-2-3;2-1-8;..5. |
4eac0 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 36 00 1c 00 00 | ....3;1-2-3;2-2-3;2-1-19;..6.... |
4eae0 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 | .3;1-2-3;1-1-19;2-1-2;2-2-3;..7. |
4eb00 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 38 00 15 00 00 | ....3;1-2-3;2-2-3;2-1-19;..8.... |
4eb20 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 22 00 00 00 31 39 3b | .3;1-2-3;2-2-3;2-1-8;..9."...19; |
4eb40 | 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 | 1-1-2;1-1-3;2-2-3;2-1-6;2-1-9;.. |
4eb60 | 31 30 00 1c 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d | 10.....2;1-1-6;1-1-9;1-1-19;2-1- |
4eb80 | 33 3b 00 02 31 31 00 16 00 00 00 36 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b | 3;..11.....6;1-1-2;2-1-9;2-1-19; |
4eba0 | 00 02 31 32 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 00 | ..12.....9;1-1-2;2-1-6;2-1-19;.. |
4ebc0 | 00 02 73 6d 69 6c 65 73 00 15 00 00 00 43 43 4f 63 31 63 63 63 28 63 63 31 29 4e 43 28 3d 4e 29 | ..smiles.....CCOc1ccc(cc1)NC(=N) |
4ebe0 | 4f 00 02 69 6e 63 68 69 00 50 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 32 4e 32 4f 32 2f | O..inchi.P...InChI=1S/C9H12N2O2/ |
4ec00 | 63 31 2d 32 2d 31 33 2d 38 2d 35 2d 33 2d 37 28 34 2d 36 2d 38 29 31 31 2d 39 28 31 30 29 31 32 | c1-2-13-8-5-3-7(4-6-8)11-9(10)12 |
4ec20 | 2f 68 33 2d 36 48 2c 32 48 32 2c 31 48 33 2c 28 48 33 2c 31 30 2c 31 31 2c 31 32 29 00 09 75 70 | /h3-6H,2H2,1H3,(H3,10,11,12)..up |
4ec40 | 64 61 74 65 64 5f 61 74 00 78 f8 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 77 f8 5e | dated_at.x.^FP....created_at.w.^ |
4ec60 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
4ec80 | 00 00 00 00 65 03 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 a8 04 77 61 72 6e 69 6e | ....e...._id.V..h+r.+@....warnin |
4eca0 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 58 02 00 00 04 4d 50 32 44 00 | gs.......fingerprints.X....MP2D. |
4ecc0 | 4d 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 00 15 00 00 | M....0.....1;1-1-1;2-1-6;..1.... |
4ece0 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 33 3b 00 02 32 00 1c 00 00 00 36 3b 31 | .1;1-1-1;1-1-6;2-1-3;..2.....6;1 |
4ed00 | 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 31 3b 00 02 33 00 23 00 00 00 | -1-1;1-1-3;2-1-1;2-2-11;..3.#... |
4ed20 | 33 3b 31 2d 31 2d 36 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | 3;1-1-6;1-2-11;2-1-1;2-2-3;2-1-1 |
4ed40 | 33 3b 00 02 34 00 25 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 31 2d 36 3b | 3;..4.%...11;1-2-3;1-1-13;2-1-6; |
4ed60 | 32 2d 32 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 35 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b | 2-2-11;2-1-19;..5.....13;1-1-11; |
4ed80 | 32 2d 32 2d 33 3b 00 02 36 00 24 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d | 2-2-3;..6.$...3;1-2-11;1-1-19;2- |
4eda0 | 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 37 00 23 00 00 00 31 39 3b 31 2d 31 2d | 1-1;2-2-3;2-1-13;..7.#...19;1-1- |
4edc0 | 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d 34 3b 32 2d 32 2d 31 31 3b 00 02 38 00 22 | 1;1-1-3;2-2-1;2-1-4;2-2-11;..8." |
4ede0 | 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 34 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d | ...1;1-2-1;1-1-4;1-1-19;2-1-3;2- |
4ee00 | 31 2d 37 3b 00 02 39 00 1c 00 00 00 34 3b 31 2d 31 2d 31 3b 31 2d 31 2d 37 3b 32 2d 32 2d 31 3b | 1-7;..9.....4;1-1-1;1-1-7;2-2-1; |
4ee20 | 32 2d 31 2d 31 39 3b 00 02 31 30 00 0f 00 00 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 2d 31 3b 00 02 | 2-1-19;..10.....7;1-1-4;2-1-1;.. |
4ee40 | 31 31 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 34 3b 32 2d 31 2d 31 | 11.....1;1-1-1;2-1-1;2-1-4;2-1-1 |
4ee60 | 39 3b 00 02 31 32 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 34 3b 32 | 9;..12.....1;1-1-1;2-1-1;2-1-4;2 |
4ee80 | 2d 31 2d 31 39 3b 00 02 31 33 00 1f 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 32 | -1-19;..13.....11;1-2-3;2-2-11;2 |
4eea0 | 2d 31 2d 31 35 3b 32 2d 31 2d 31 39 3b 00 02 31 34 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 | -1-15;2-1-19;..14.....3;1-2-11;1 |
4eec0 | 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 31 35 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d | -1-15;2-2-3;..15.....11;1-2-3;2- |
4eee0 | 31 2d 36 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 31 35 3b 00 02 31 36 00 11 00 00 00 31 35 3b 31 2d | 1-6;2-2-11;2-1-15;..16.....15;1- |
4ef00 | 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 21 00 00 00 43 43 4e 3d 63 31 | 1-3;2-2-11;....smiles.!...CCN=c1 |
4ef20 | 5b 6e 48 5d 63 28 4e 43 28 43 23 4e 29 28 43 29 43 29 6e 63 28 6e 31 29 43 6c 00 02 69 6e 63 68 | [nH]c(NC(C#N)(C)C)nc(n1)Cl..inch |
4ef40 | 69 00 5c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 33 43 6c 4e 36 2f 63 31 2d 34 2d 31 32 | i.\...InChI=1S/C9H13ClN6/c1-4-12 |
4ef60 | 2d 37 2d 31 33 2d 36 28 31 30 29 31 34 2d 38 28 31 35 2d 37 29 31 36 2d 39 28 32 2c 33 29 35 2d | -7-13-6(10)14-8(15-7)16-9(2,3)5- |
4ef80 | 31 31 2f 68 34 48 32 2c 31 2d 33 48 33 2c 28 48 32 2c 31 32 2c 31 33 2c 31 34 2c 31 35 2c 31 36 | 11/h4H2,1-3H3,(H2,12,13,14,15,16 |
4efa0 | 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 7f f8 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | )..updated_at...^FP....created_a |
4efc0 | 74 00 7d f8 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t.}.^FP....default_fingerprint_s |
4efe0 | 69 7a 65 00 00 00 00 00 00 02 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 a9 04 77 | ize..........._id.V..h+r.+@....w |
4f000 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 26 01 00 00 04 | arnings.......fingerprints.&.... |
4f020 | 4d 50 32 44 00 1b 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 | MP2D......0.....1;1-1-3;2-2-3;.. |
4f040 | 31 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 15 00 | 1.....3;1-1-1;1-2-3;2-2-3;..2... |
4f060 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 1c 00 00 00 33 3b | ..3;1-2-3;2-2-1;2-2-3;..3.....3; |
4f080 | 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 34 00 0f 00 00 | 1-1-1;1-2-3;2-2-3;2-1-19;..4.... |
4f0a0 | 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | .1;1-1-3;2-2-3;..5.....3;1-2-3;1 |
4f0c0 | 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 31 2d | -1-19;2-2-1;2-2-3;..6.....3;1-1- |
4f0e0 | 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 15 00 00 00 33 3b 31 | 1;1-2-3;2-2-3;2-1-19;..7.....3;1 |
4f100 | 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 31 2d 33 | -2-3;2-2-1;2-2-3;..8.....1;1-1-3 |
4f120 | 3b 32 2d 32 2d 33 3b 00 02 39 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 | ;2-2-3;..9.....19;1-1-3;2-2-3;.. |
4f140 | 00 02 73 6d 69 6c 65 73 00 13 00 00 00 43 63 31 63 63 28 43 29 63 28 63 28 63 31 29 43 29 4e 00 | ..smiles.....Cc1cc(C)c(c(c1)C)N. |
4f160 | 02 69 6e 63 68 69 00 39 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 33 4e 2f 63 31 2d 36 2d | .inchi.9...InChI=1S/C9H13N/c1-6- |
4f180 | 34 2d 37 28 32 29 39 28 31 30 29 38 28 33 29 35 2d 36 2f 68 34 2d 35 48 2c 31 30 48 32 2c 31 2d | 4-7(2)9(10)8(3)5-6/h4-5H,10H2,1- |
4f1a0 | 33 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 85 f8 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 | 3H3..updated_at...^FP....created |
4f1c0 | 5f 61 74 00 83 f8 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...^FP....default_fingerprint |
4f1e0 | 5f 73 69 7a 65 00 00 00 00 00 00 0c 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 aa | _size..........._id.V..h+r.+@... |
4f200 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 32 01 00 | .warnings.......fingerprints.2.. |
4f220 | 00 04 4d 50 32 44 00 27 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b | ..MP2D.'....0.....1;1-1-3;2-2-3; |
4f240 | 00 02 31 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | ..1.....3;1-1-1;1-2-3;2-1-1;2-2- |
4f260 | 33 3b 00 02 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d | 3;..2.....3;1-2-3;2-1-1;2-2-3;2- |
4f280 | 31 2d 31 39 3b 00 02 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d | 1-19;..3.....3;1-2-3;1-1-19;2-1- |
4f2a0 | 31 3b 32 2d 32 2d 33 3b 00 02 34 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | 1;2-2-3;..4.....19;1-1-3;2-2-3;. |
4f2c0 | 02 35 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | .5.....3;1-1-1;1-2-3;2-2-3;2-1-1 |
4f2e0 | 39 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 | 9;..6.....3;1-2-3;2-2-1;2-2-3;.. |
4f300 | 37 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | 7.....3;1-1-1;1-2-3;2-1-1;2-2-3; |
4f320 | 00 02 38 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 31 3b | ..8.....1;1-1-3;2-2-3;..9.....1; |
4f340 | 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 11 00 00 00 43 63 31 63 63 | 1-1-3;2-2-3;....smiles.....Cc1cc |
4f360 | 28 4e 29 63 28 63 63 31 43 29 43 00 02 69 6e 63 68 69 00 39 00 00 00 49 6e 43 68 49 3d 31 53 2f | (N)c(cc1C)C..inchi.9...InChI=1S/ |
4f380 | 43 39 48 31 33 4e 2f 63 31 2d 36 2d 34 2d 38 28 33 29 39 28 31 30 29 35 2d 37 28 36 29 32 2f 68 | C9H13N/c1-6-4-8(3)9(10)5-7(6)2/h |
4f3a0 | 34 2d 35 48 2c 31 30 48 32 2c 31 2d 33 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 8a f8 5e 46 | 4-5H,10H2,1-3H3..updated_at...^F |
4f3c0 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 89 f8 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at...^FP....default |
4f3e0 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 42 04 00 00 07 5f 69 64 00 | _fingerprint_size......B...._id. |
4f400 | 56 16 1c 68 2b 72 ed 2b 40 00 01 ab 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..h+r.+@....warnings.......fing |
4f420 | 65 72 70 72 69 6e 74 73 00 1b 03 00 00 04 4d 50 32 44 00 10 03 00 00 02 30 00 12 00 00 00 31 39 | erprints......MP2D......0.....19 |
4f440 | 3b 31 2d 31 2d 33 33 3b 32 2d 32 2d 31 39 3b 00 02 31 00 11 00 00 00 33 33 3b 31 2d 33 2d 31 39 | ;1-1-33;2-2-19;..1.....33;1-3-19 |
4f460 | 3b 32 2d 31 2d 33 3b 00 02 32 00 12 00 00 00 31 39 3b 31 2d 31 2d 33 33 3b 32 2d 32 2d 31 39 3b | ;2-1-3;..2.....19;1-1-33;2-2-19; |
4f480 | 00 02 33 00 26 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 33 33 3b 32 2d 31 2d 31 31 3b 32 | ..3.&...19;1-1-3;1-1-33;2-1-11;2 |
4f4a0 | 2d 31 2d 31 38 3b 32 2d 32 2d 31 39 3b 00 02 34 00 25 00 00 00 33 3b 31 2d 31 2d 31 31 3b 31 2d | -1-18;2-2-19;..4.%...3;1-1-11;1- |
4f4c0 | 31 2d 31 38 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 33 3b 00 02 35 00 1e 00 00 | 1-18;1-1-19;2-2-3;2-1-33;..5.... |
4f4e0 | 00 31 38 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 | .18;1-2-3;2-1-3;2-1-11;2-1-19;.. |
4f500 | 36 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 | 6.#...3;1-1-3;1-1-18;2-1-1;2-1-3 |
4f520 | 3b 32 2d 31 2d 31 31 3b 00 02 37 00 2a 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d | ;2-1-11;..7.*...3;1-1-1;1-1-3;1- |
4f540 | 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 38 00 24 00 00 | 1-11;2-1-3;2-1-10;2-1-18;..8.$.. |
4f560 | 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 38 3b 32 2d 31 | .11;1-2-3;2-1-1;2-1-3;2-1-18;2-1 |
4f580 | 2d 31 39 3b 00 02 39 00 23 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 | -19;..9.#...1;1-1-3;1-1-10;2-1-1 |
4f5a0 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 16 00 00 00 31 30 3b 31 2d 32 2d 31 3b | ;2-1-3;2-1-11;..10.....10;1-2-1; |
4f5c0 | 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 31 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-1-1;2-1-3;..11.....1;1-1-1;1-1 |
4f5e0 | 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 32 00 1d 00 00 00 31 3b 31 2d 31 2d | -10;2-1-1;2-1-19;..12.....1;1-1- |
4f600 | 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 33 00 23 00 00 00 31 | 1;1-1-19;2-1-3;2-1-10;..13.#...1 |
4f620 | 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 | 9;1-1-1;1-1-3;2-1-1;2-1-3;2-1-11 |
4f640 | 3b 00 02 31 34 00 32 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 39 3b | ;..14.2...3;1-1-3;1-1-11;1-1-19; |
4f660 | 32 2d 31 2d 31 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 31 39 3b 00 02 31 35 00 | 2-1-1;2-1-11;2-1-18;2-1-19;..15. |
4f680 | 25 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 38 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 | %...11;1-1-3;1-1-18;2-1-3;2-1-11 |
4f6a0 | 3b 32 2d 31 2d 31 39 3b 00 02 31 36 00 11 00 00 00 31 38 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d 33 | ;2-1-19;..16.....18;1-2-11;2-2-3 |
4f6c0 | 3b 00 02 31 37 00 25 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 38 3b 32 2d 31 2d 33 3b | ;..17.%...11;1-1-3;1-1-18;2-1-3; |
4f6e0 | 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 31 38 00 2c 00 00 00 33 3b 31 2d 31 2d 33 3b 31 | 2-1-11;2-1-19;..18.,...3;1-1-3;1 |
4f700 | 2d 31 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 31 | -1-11;1-1-19;2-1-11;2-1-18;2-1-1 |
4f720 | 39 3b 00 02 31 39 00 17 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 | 9;..19.....19;1-1-3;2-1-3;2-1-11 |
4f740 | 3b 00 00 00 02 73 6d 69 6c 65 73 00 1e 00 00 00 4e 43 28 3d 4e 29 4e 63 31 73 63 63 28 6e 31 29 | ;....smiles.....NC(=N)Nc1scc(n1) |
4f760 | 43 53 43 43 4e 63 31 6e 73 6e 63 31 4e 00 02 69 6e 63 68 69 00 79 00 00 00 49 6e 43 68 49 3d 31 | CSCCNc1nsnc1N..inchi.y...InChI=1 |
4f780 | 53 2f 43 39 48 31 34 4e 38 53 33 2f 63 31 30 2d 36 2d 37 28 31 37 2d 32 30 2d 31 36 2d 36 29 31 | S/C9H14N8S3/c10-6-7(17-20-16-6)1 |
4f7a0 | 33 2d 31 2d 32 2d 31 38 2d 33 2d 35 2d 34 2d 31 39 2d 39 28 31 34 2d 35 29 31 35 2d 38 28 31 31 | 3-1-2-18-3-5-4-19-9(14-5)15-8(11 |
4f7c0 | 29 31 32 2f 68 34 48 2c 31 2d 33 48 32 2c 28 48 32 2c 31 30 2c 31 36 29 28 48 2c 31 33 2c 31 37 | )12/h4H,1-3H2,(H2,10,16)(H,13,17 |
4f7e0 | 29 28 48 34 2c 31 31 2c 31 32 2c 31 34 2c 31 35 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 92 f8 | )(H4,11,12,14,15)..updated_at... |
4f800 | 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 90 f8 5e 46 50 01 00 00 10 64 65 66 61 75 | ^FP....created_at...^FP....defau |
4f820 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 17 02 00 00 07 5f 69 | lt_fingerprint_size..........._i |
4f840 | 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 ac 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..h+r.+@....warnings.......fi |
4f860 | 6e 67 65 72 70 72 69 6e 74 73 00 3a 01 00 00 04 4d 50 32 44 00 2f 01 00 00 02 30 00 15 00 00 00 | ngerprints.:....MP2D./....0..... |
4f880 | 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 00 1b 00 00 00 32 3b 31 2d | 1;1-1-2;2-1-1;2-1-2;..1.....2;1- |
4f8a0 | 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 15 00 00 00 32 3b | 2-1;1-1-2;2-1-1;2-1-2;..2.....2; |
4f8c0 | 31 2d 32 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 21 00 00 00 32 3b 31 2d 31 2d | 1-2-2;2-3-1;2-1-9;..3.!...2;1-1- |
4f8e0 | 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 00 15 00 | 1;1-1-2;1-1-9;2-1-1;2-1-2;..4... |
4f900 | 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 35 00 21 00 00 00 31 3b | ..9;1-1-2;2-1-1;2-1-2;..5.!...1; |
4f920 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 | 1-1-1;1-1-2;2-3-1;2-1-2;2-1-9;.. |
4f940 | 36 00 0f 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 32 2d 32 3b 00 02 37 00 1b 00 00 00 31 3b 31 2d | 6.....1;1-4-1;2-2-2;..7.....1;1- |
4f960 | 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 00 02 38 00 0f 00 00 00 31 3b | 1-1;1-1-2;2-4-1;2-1-2;..8.....1; |
4f980 | 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 39 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d | 1-1-1;2-3-1;..9.....1;1-1-1;2-3- |
4f9a0 | 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 15 00 00 00 43 43 31 3d 43 43 28 3d 4f 29 43 43 28 43 31 | 1;....smiles.....CC1=CC(=O)CC(C1 |
4f9c0 | 29 28 43 29 43 00 02 69 6e 63 68 69 00 38 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 34 4f | )(C)C..inchi.8...InChI=1S/C9H14O |
4f9e0 | 2f 63 31 2d 37 2d 34 2d 38 28 31 30 29 36 2d 39 28 32 2c 33 29 35 2d 37 2f 68 34 48 2c 35 2d 36 | /c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6 |
4fa00 | 48 32 2c 31 2d 33 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 98 f8 5e 46 50 01 00 00 09 63 72 | H2,1-3H3..updated_at...^FP....cr |
4fa20 | 65 61 74 65 64 5f 61 74 00 96 f8 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at...^FP....default_finger |
4fa40 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 b4 03 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed | print_size..........._id.V..h+r. |
4fa60 | 2b 40 00 01 ad 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | +@....warnings.......fingerprint |
4fa80 | 73 00 a9 02 00 00 04 4d 50 32 44 00 9e 02 00 00 02 30 00 10 00 00 00 31 34 3b 31 2d 31 2d 31 3b | s......MP2D......0.....14;1-1-1; |
4faa0 | 32 2d 31 2d 31 3b 00 02 31 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 34 3b 32 2d 31 | 2-1-1;..1.....1;1-1-1;1-1-14;2-1 |
4fac0 | 2d 31 3b 32 2d 31 2d 31 34 3b 00 02 32 00 1d 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 34 | -1;2-1-14;..2.....1;1-2-1;1-1-14 |
4fae0 | 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 34 3b 00 02 33 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | ;2-1-8;2-1-14;..3.#...1;1-1-1;1- |
4fb00 | 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 32 3b 32 2d 31 2d 31 34 3b 00 02 34 00 22 00 00 00 | 1-8;2-1-1;2-1-12;2-1-14;..4."... |
4fb20 | 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 | 8;1-1-1;1-1-12;2-1-1;2-2-8;2-1-9 |
4fb40 | 3b 00 02 35 00 16 00 00 00 31 32 3b 31 2d 33 2d 38 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b 00 02 | ;..5.....12;1-3-8;1-1-9;2-3-1;.. |
4fb60 | 36 00 10 00 00 00 39 3b 31 2d 31 2d 31 32 3b 32 2d 33 2d 38 3b 00 02 37 00 22 00 00 00 38 3b 31 | 6.....9;1-1-12;2-3-8;..7."...8;1 |
4fb80 | 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 | -1-1;1-1-12;2-1-1;2-2-8;2-1-9;.. |
4fba0 | 38 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 32 | 8.#...1;1-1-1;1-1-8;2-1-1;2-1-12 |
4fbc0 | 3b 32 2d 31 2d 31 34 3b 00 02 39 00 1d 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 34 3b 32 | ;2-1-14;..9.....1;1-2-1;1-1-14;2 |
4fbe0 | 2d 31 2d 38 3b 32 2d 31 2d 31 34 3b 00 02 31 30 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | -1-8;2-1-14;..10.....1;1-1-1;1-1 |
4fc00 | 2d 31 34 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 34 3b 00 02 31 31 00 10 00 00 00 31 34 3b 31 2d 31 | -14;2-1-1;2-1-14;..11.....14;1-1 |
4fc20 | 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 32 00 10 00 00 00 31 34 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 | -1;2-1-1;..12.....14;1-1-1;2-2-1 |
4fc40 | 3b 00 02 31 33 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 | ;..13."...8;1-1-1;1-1-12;2-1-1;2 |
4fc60 | 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 34 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -2-8;2-1-9;..14.#...1;1-1-1;1-1- |
4fc80 | 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 32 3b 32 2d 31 2d 31 34 3b 00 02 31 35 00 1d 00 00 00 31 | 8;2-1-1;2-1-12;2-1-14;..15.....1 |
4fca0 | 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 34 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 34 3b 00 02 31 36 00 | ;1-2-1;1-1-14;2-1-8;2-1-14;..16. |
4fcc0 | 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 34 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 34 3b | ....1;1-1-1;1-1-14;2-1-1;2-1-14; |
4fce0 | 00 02 31 37 00 10 00 00 00 31 34 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 38 00 10 00 00 | ..17.....14;1-1-1;2-1-1;..18.... |
4fd00 | 00 31 34 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 39 00 10 00 00 00 31 34 3b 31 2d 31 2d | .14;1-1-1;2-2-1;..19.....14;1-1- |
4fd20 | 31 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 26 00 00 00 42 72 43 43 28 43 4f 50 28 | 1;2-2-1;....smiles.&...BrCC(COP( |
4fd40 | 3d 4f 29 28 4f 43 43 28 43 42 72 29 42 72 29 4f 43 43 28 43 42 72 29 42 72 29 42 72 00 02 69 6e | =O)(OCC(CBr)Br)OCC(CBr)Br)Br..in |
4fd60 | 63 68 69 00 55 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 35 42 72 36 4f 34 50 2f 63 31 30 | chi.U...InChI=1S/C9H15Br6O4P/c10 |
4fd80 | 2d 31 2d 37 28 31 33 29 34 2d 31 37 2d 32 30 28 31 36 2c 31 38 2d 35 2d 38 28 31 34 29 32 2d 31 | -1-7(13)4-17-20(16,18-5-8(14)2-1 |
4fda0 | 31 29 31 39 2d 36 2d 39 28 31 35 29 33 2d 31 32 2f 68 37 2d 39 48 2c 31 2d 36 48 32 00 09 75 70 | 1)19-6-9(15)3-12/h7-9H,1-6H2..up |
4fdc0 | 64 61 74 65 64 5f 61 74 00 9e f8 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 9d f8 5e | dated_at...^FP....created_at...^ |
4fde0 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
4fe00 | 00 00 00 00 9c 03 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 ae 04 77 61 72 6e 69 6e | ........._id.V..h+r.+@....warnin |
4fe20 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 91 02 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
4fe40 | 86 02 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 1c 00 | .....0.....15;1-1-1;2-1-1;..1... |
4fe60 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 | ..1;1-1-1;1-1-15;2-1-1;2-1-8;..2 |
4fe80 | 00 1d 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 32 2d 32 2d 31 35 | .....1;1-2-1;1-1-8;2-1-12;2-2-15 |
4fea0 | 3b 00 02 33 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 31 3b 32 2d | ;..3."...8;1-1-1;1-1-12;2-2-1;2- |
4fec0 | 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 34 00 16 00 00 00 31 32 3b 31 2d 33 2d 38 3b 31 2d 31 2d 39 | 2-8;2-1-9;..4.....12;1-3-8;1-1-9 |
4fee0 | 3b 32 2d 33 2d 31 3b 00 02 35 00 10 00 00 00 39 3b 31 2d 31 2d 31 32 3b 32 2d 33 2d 38 3b 00 02 | ;2-3-1;..5.....9;1-1-12;2-3-8;.. |
4ff00 | 36 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 | 6."...8;1-1-1;1-1-12;2-2-1;2-2-8 |
4ff20 | 3b 32 2d 31 2d 39 3b 00 02 37 00 1d 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 | ;2-1-9;..7.....1;1-2-1;1-1-8;2-1 |
4ff40 | 2d 31 32 3b 32 2d 32 2d 31 35 3b 00 02 38 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 | -12;2-2-15;..8.....1;1-1-1;1-1-1 |
4ff60 | 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 39 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 | 5;2-1-1;2-1-8;..9.....15;1-1-1;2 |
4ff80 | 2d 31 2d 31 3b 00 02 31 30 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 | -1-1;..10.....1;1-1-1;1-1-15;2-1 |
4ffa0 | 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 31 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 | -1;2-1-8;..11.....15;1-1-1;2-1-1 |
4ffc0 | 3b 00 02 31 32 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 31 3b 32 | ;..12."...8;1-1-1;1-1-12;2-2-1;2 |
4ffe0 | 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 33 00 1d 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d | -2-8;2-1-9;..13.....1;1-2-1;1-1- |
50000 | 38 3b 32 2d 31 2d 31 32 3b 32 2d 32 2d 31 35 3b 00 02 31 34 00 1c 00 00 00 31 3b 31 2d 31 2d 31 | 8;2-1-12;2-2-15;..14.....1;1-1-1 |
50020 | 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 35 00 10 00 00 00 31 35 3b | ;1-1-15;2-1-1;2-1-8;..15.....15; |
50040 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 36 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | 1-1-1;2-1-1;..16.....1;1-1-1;1-1 |
50060 | 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 37 00 10 00 00 00 31 35 3b 31 2d 31 2d | -15;2-1-1;2-1-8;..17.....15;1-1- |
50080 | 31 3b 32 2d 31 2d 31 3b 00 02 31 38 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b | 1;2-1-1;..18.....1;1-1-1;1-1-15; |
500a0 | 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 39 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d | 2-1-1;2-1-8;..19.....15;1-1-1;2- |
500c0 | 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 26 00 00 00 43 6c 43 43 28 4f 50 28 3d 4f 29 28 4f | 1-1;....smiles.&...ClCC(OP(=O)(O |
500e0 | 43 28 43 43 6c 29 43 43 6c 29 4f 43 28 43 43 6c 29 43 43 6c 29 43 43 6c 00 02 69 6e 63 68 69 00 | C(CCl)CCl)OC(CCl)CCl)CCl..inchi. |
50100 | 55 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 35 43 6c 36 4f 34 50 2f 63 31 30 2d 31 2d 37 | U...InChI=1S/C9H15Cl6O4P/c10-1-7 |
50120 | 28 32 2d 31 31 29 31 37 2d 32 30 28 31 36 2c 31 38 2d 38 28 33 2d 31 32 29 34 2d 31 33 29 31 39 | (2-11)17-20(16,18-8(3-12)4-13)19 |
50140 | 2d 39 28 35 2d 31 34 29 36 2d 31 35 2f 68 37 2d 39 48 2c 31 2d 36 48 32 00 09 75 70 64 61 74 65 | -9(5-14)6-15/h7-9H,1-6H2..update |
50160 | 64 5f 61 74 00 a4 f8 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a3 f8 5e 46 50 01 00 | d_at...^FP....created_at...^FP.. |
50180 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 | ..default_fingerprint_size...... |
501a0 | be 03 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 af 04 77 61 72 6e 69 6e 67 73 00 05 | ....._id.V..h+r.+@....warnings.. |
501c0 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a3 02 00 00 04 4d 50 32 44 00 98 02 00 00 | .....fingerprints......MP2D..... |
501e0 | 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 17 00 00 00 31 3b | .0.....15;1-1-1;2-1-1;..1.....1; |
50200 | 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 39 3b 00 02 32 00 23 00 00 00 31 3b 31 2d | 1-1-1;1-1-15;2-1-19;..2.#...1;1- |
50220 | 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 35 3b 00 02 | 1-1;1-1-19;2-1-2;2-1-6;2-1-15;.. |
50240 | 33 00 28 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 | 3.(...19;1-1-1;1-1-2;1-1-6;2-1-1 |
50260 | 3b 32 2d 31 2d 36 3b 32 2d 32 2d 39 3b 00 02 34 00 22 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 | ;2-1-6;2-2-9;..4."...2;1-1-6;1-1 |
50280 | 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 35 00 22 00 00 00 36 3b | -9;1-1-19;2-2-1;2-1-6;..5."...6; |
502a0 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 | 1-1-1;1-1-2;2-2-1;2-1-9;2-1-19;. |
502c0 | 02 36 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 | .6.!...1;1-2-1;1-1-6;2-1-1;2-1-2 |
502e0 | 3b 32 2d 33 2d 38 3b 00 02 37 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 38 3b 32 2d 32 | ;2-3-8;..7.....1;1-1-1;1-2-8;2-2 |
50300 | 2d 31 3b 32 2d 31 2d 36 3b 00 02 38 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 | -1;2-1-6;..8.....8;1-1-1;2-1-1;2 |
50320 | 2d 31 2d 38 3b 00 02 39 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 | -1-8;..9.....8;1-2-1;2-3-1;2-1-8 |
50340 | 3b 00 02 31 30 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d | ;..10.....1;1-2-1;1-1-8;2-2-1;2- |
50360 | 32 2d 38 3b 00 02 31 31 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 | 2-8;..11.....1;1-2-1;1-1-8;2-2-1 |
50380 | 3b 32 2d 32 2d 38 3b 00 02 31 32 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d | ;2-2-8;..12.!...1;1-2-1;1-1-8;2- |
503a0 | 32 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 31 33 00 0f 00 00 00 38 3b 31 2d 31 2d 31 | 2-1;2-1-6;2-1-8;..13.....8;1-1-1 |
503c0 | 3b 32 2d 32 2d 31 3b 00 02 31 34 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 | ;2-2-1;..14.....8;1-1-1;2-2-1;.. |
503e0 | 31 35 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 | 15.....1;1-1-1;1-1-8;2-1-1;2-1-8 |
50400 | 3b 00 02 31 36 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 37 00 16 00 00 | ;..16.....8;1-1-1;2-1-1;..17.... |
50420 | 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 38 00 1c 00 00 00 36 | .9;1-1-2;2-1-6;2-1-19;..18.....6 |
50440 | 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 39 00 10 | ;1-1-9;1-1-19;2-1-1;2-1-2;..19.. |
50460 | 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 24 00 00 | ...9;1-1-6;2-1-19;....smiles.$.. |
50480 | 00 43 6c 43 43 4e 28 43 28 3d 4e 43 31 43 28 4f 29 4f 43 28 43 28 43 31 4f 29 4f 29 43 4f 29 4f | .ClCCN(C(=NC1C(O)OC(C(C1O)O)CO)O |
504a0 | 29 4e 3d 4f 00 02 69 6e 63 68 69 00 67 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 36 43 6c | )N=O..inchi.g...InChI=1S/C9H16Cl |
504c0 | 4e 33 4f 37 2f 63 31 30 2d 31 2d 32 2d 31 33 28 31 32 2d 31 39 29 39 28 31 38 29 31 31 2d 35 2d | N3O7/c10-1-2-13(12-19)9(18)11-5- |
504e0 | 37 28 31 36 29 36 28 31 35 29 34 28 33 2d 31 34 29 32 30 2d 38 28 35 29 31 37 2f 68 34 2d 38 2c | 7(16)6(15)4(3-14)20-8(5)17/h4-8, |
50500 | 31 34 2d 31 37 48 2c 31 2d 33 48 32 2c 28 48 2c 31 31 2c 31 38 29 00 09 75 70 64 61 74 65 64 5f | 14-17H,1-3H2,(H,11,18)..updated_ |
50520 | 61 74 00 ab f8 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a9 f8 5e 46 50 01 00 00 10 | at...^FP....created_at...^FP.... |
50540 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 38 02 | default_fingerprint_size......8. |
50560 | 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 b0 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V..h+r.+@....warnings.... |
50580 | 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 50 01 00 00 04 4d 50 32 44 00 45 01 00 00 02 30 | ...fingerprints.P....MP2D.E....0 |
505a0 | 00 0f 00 00 00 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 | .....5;1-1-1;2-1-1;..1.....1;1-1 |
505c0 | 2d 31 3b 31 2d 31 2d 35 3b 32 2d 33 2d 31 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 34 2d 31 3b 32 | -1;1-1-5;2-3-1;..2.....1;1-4-1;2 |
505e0 | 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 35 3b 00 02 33 00 0f 00 00 00 31 3b 31 2d 32 2d 31 | -2-1;2-1-2;2-1-5;..3.....1;1-2-1 |
50600 | 3b 32 2d 34 2d 31 3b 00 02 34 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 35 | ;2-4-1;..4.....1;1-2-1;2-2-1;..5 |
50620 | 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 36 00 0f 00 00 00 31 3b 31 2d 32 | .....1;1-2-1;2-2-1;..6.....1;1-2 |
50640 | 2d 31 3b 32 2d 32 2d 31 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b 00 | -1;2-2-1;..7.....1;1-2-1;2-4-1;. |
50660 | 02 38 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 32 2d 33 | .8.....1;1-1-1;1-1-2;2-3-1;2-2-3 |
50680 | 32 3b 00 02 39 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d 31 3b 00 | 2;..9.....2;1-1-1;1-2-32;2-1-1;. |
506a0 | 02 31 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 | .10.....32;1-1-2;2-1-1;2-1-32;.. |
506c0 | 31 31 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 00 00 | 11.....32;1-1-2;2-1-1;2-1-32;... |
506e0 | 02 73 6d 69 6c 65 73 00 14 00 00 00 4e 43 43 31 28 43 43 43 43 43 31 29 43 43 28 3d 4f 29 4f 00 | .smiles.....NCC1(CCCCC1)CC(=O)O. |
50700 | 02 69 6e 63 68 69 00 44 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 37 4e 4f 32 2f 63 31 30 | .inchi.D...InChI=1S/C9H17NO2/c10 |
50720 | 2d 37 2d 39 28 36 2d 38 28 31 31 29 31 32 29 34 2d 32 2d 31 2d 33 2d 35 2d 39 2f 68 31 2d 37 2c | -7-9(6-8(11)12)4-2-1-3-5-9/h1-7, |
50740 | 31 30 48 32 2c 28 48 2c 31 31 2c 31 32 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 b1 f8 5e 46 50 | 10H2,(H,11,12)..updated_at...^FP |
50760 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 af f8 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at...^FP....default_ |
50780 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 06 03 00 00 07 5f 69 64 00 56 | fingerprint_size..........._id.V |
507a0 | 16 1c 68 2b 72 ed 2b 40 00 01 b1 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..h+r.+@....warnings.......finge |
507c0 | 72 70 72 69 6e 74 73 00 0d 02 00 00 04 4d 50 32 44 00 02 02 00 00 02 30 00 15 00 00 00 31 3b 31 | rprints......MP2D......0.....1;1 |
507e0 | 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 00 22 00 00 00 31 3b 31 2d 32 2d 31 | -1-1;2-1-1;2-1-5;..1."...1;1-2-1 |
50800 | 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 31 32 3b 00 02 32 00 22 00 | ;1-1-5;2-1-1;2-1-5;2-1-12;..2.". |
50820 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d | ..1;1-1-1;1-1-5;2-2-1;2-1-5;2-1- |
50840 | 31 32 3b 00 02 33 00 22 00 00 00 35 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 33 2d 31 3b | 12;..3."...5;1-2-1;1-1-12;2-3-1; |
50860 | 32 2d 32 2d 35 3b 32 2d 31 2d 39 3b 00 02 34 00 16 00 00 00 31 32 3b 31 2d 33 2d 35 3b 31 2d 31 | 2-2-5;2-1-9;..4.....12;1-3-5;1-1 |
50880 | 2d 39 3b 32 2d 36 2d 31 3b 00 02 35 00 10 00 00 00 39 3b 31 2d 31 2d 31 32 3b 32 2d 33 2d 35 3b | -9;2-6-1;..5.....9;1-1-12;2-3-5; |
508a0 | 00 02 36 00 22 00 00 00 35 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 33 2d 31 3b 32 2d 32 | ..6."...5;1-2-1;1-1-12;2-3-1;2-2 |
508c0 | 2d 35 3b 32 2d 31 2d 39 3b 00 02 37 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 | -5;2-1-9;..7."...1;1-1-1;1-1-5;2 |
508e0 | 2d 32 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 31 32 3b 00 02 38 00 22 00 00 00 31 3b 31 2d 32 2d | -2-1;2-1-5;2-1-12;..8."...1;1-2- |
50900 | 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 31 32 3b 00 02 39 00 15 | 1;1-1-5;2-1-1;2-1-5;2-1-12;..9.. |
50920 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 30 00 22 00 00 00 | ...1;1-1-1;2-1-1;2-1-5;..10."... |
50940 | 35 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 33 2d 31 3b 32 2d 32 2d 35 3b 32 2d 31 2d 39 | 5;1-2-1;1-1-12;2-3-1;2-2-5;2-1-9 |
50960 | 3b 00 02 31 31 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d | ;..11."...1;1-1-1;1-1-5;2-2-1;2- |
50980 | 31 2d 35 3b 32 2d 31 2d 31 32 3b 00 02 31 32 00 22 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d | 1-5;2-1-12;..12."...1;1-2-1;1-1- |
509a0 | 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 31 32 3b 00 02 31 33 00 15 00 00 00 31 3b | 5;2-1-1;2-1-5;2-1-12;..13.....1; |
509c0 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 1a 00 00 | 1-1-1;2-1-1;2-1-5;....smiles.... |
509e0 | 00 43 43 31 43 4e 31 50 28 3d 4f 29 28 4e 31 43 43 31 43 29 4e 31 43 43 31 43 00 02 69 6e 63 68 | .CC1CN1P(=O)(N1CC1C)N1CC1C..inch |
50a00 | 69 00 4f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 38 4e 33 4f 50 2f 63 31 2d 37 2d 34 2d | i.O...InChI=1S/C9H18N3OP/c1-7-4- |
50a20 | 31 30 28 37 29 31 34 28 31 33 2c 31 31 2d 35 2d 38 28 31 31 29 32 29 31 32 2d 36 2d 39 28 31 32 | 10(7)14(13,11-5-8(11)2)12-6-9(12 |
50a40 | 29 33 2f 68 37 2d 39 48 2c 34 2d 36 48 32 2c 31 2d 33 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 | )3/h7-9H,4-6H2,1-3H3..updated_at |
50a60 | 00 b7 f8 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 b5 f8 5e 46 50 01 00 00 10 64 65 | ...^FP....created_at...^FP....de |
50a80 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 b8 03 00 00 | fault_fingerprint_size.......... |
50aa0 | 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 b2 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V..h+r.+@....warnings...... |
50ac0 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ac 02 00 00 04 4d 50 32 44 00 a1 02 00 00 02 30 00 10 | .fingerprints......MP2D......0.. |
50ae0 | 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 00 1c 00 00 00 31 3b 31 2d 31 2d | ...8;1-1-1;2-1-19;..1.....1;1-1- |
50b00 | 38 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 00 1d 00 00 00 31 39 3b | 8;1-1-19;2-1-1;2-1-3;..2.....19; |
50b20 | 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 38 3b 32 2d 32 2d 31 31 3b 00 02 33 00 1d 00 00 | 1-2-1;1-1-3;2-2-8;2-2-11;..3.... |
50b40 | 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 | .3;1-2-11;1-1-19;2-2-1;2-2-3;..4 |
50b60 | 00 18 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 32 2d 32 2d 31 39 3b 00 02 35 00 | .....11;1-2-3;2-2-11;2-2-19;..5. |
50b80 | 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b | ....3;1-2-11;1-1-19;2-2-1;2-2-3; |
50ba0 | 00 02 36 00 18 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 32 2d 32 2d 31 39 3b 00 | ..6.....11;1-2-3;2-2-11;2-2-19;. |
50bc0 | 02 37 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 | .7.....3;1-2-11;1-1-19;2-2-1;2-2 |
50be0 | 2d 33 3b 00 02 38 00 18 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 32 2d 32 2d 31 | -3;..8.....11;1-2-3;2-2-11;2-2-1 |
50c00 | 39 3b 00 02 39 00 1d 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 38 3b 32 | 9;..9.....19;1-2-1;1-1-3;2-2-8;2 |
50c20 | 2d 32 2d 31 31 3b 00 02 31 30 00 1c 00 00 00 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 39 3b 32 2d | -2-11;..10.....1;1-1-8;1-1-19;2- |
50c40 | 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 31 00 10 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 | 1-1;2-1-3;..11.....8;1-1-1;2-1-1 |
50c60 | 39 3b 00 02 31 32 00 1c 00 00 00 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b | 9;..12.....1;1-1-8;1-1-19;2-1-1; |
50c80 | 32 2d 31 2d 33 3b 00 02 31 33 00 10 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 | 2-1-3;..13.....8;1-1-1;2-1-19;.. |
50ca0 | 31 34 00 1d 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 38 3b 32 2d 32 2d | 14.....19;1-2-1;1-1-3;2-2-8;2-2- |
50cc0 | 31 31 3b 00 02 31 35 00 1c 00 00 00 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 | 11;..15.....1;1-1-8;1-1-19;2-1-1 |
50ce0 | 3b 32 2d 31 2d 33 3b 00 02 31 36 00 10 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 | ;2-1-3;..16.....8;1-1-1;2-1-19;. |
50d00 | 02 31 37 00 1c 00 00 00 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 | .17.....1;1-1-8;1-1-19;2-1-1;2-1 |
50d20 | 2d 33 3b 00 02 31 38 00 10 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 39 00 | -3;..18.....8;1-1-1;2-1-19;..19. |
50d40 | 1c 00 00 00 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 | ....1;1-1-8;1-1-19;2-1-1;2-1-3;. |
50d60 | 02 32 30 00 10 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 | .20.....8;1-1-1;2-1-19;....smile |
50d80 | 73 00 22 00 00 00 4f 43 4e 28 63 31 6e 63 28 6e 63 28 6e 31 29 4e 28 43 4f 29 43 4f 29 4e 28 43 | s."...OCN(c1nc(nc(n1)N(CO)CO)N(C |
50da0 | 4f 29 43 4f 29 43 4f 00 02 69 6e 63 68 69 00 5a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 | O)CO)CO..inchi.Z...InChI=1S/C9H1 |
50dc0 | 38 4e 36 4f 36 2f 63 31 36 2d 31 2d 31 33 28 32 2d 31 37 29 37 2d 31 30 2d 38 28 31 34 28 33 2d | 8N6O6/c16-1-13(2-17)7-10-8(14(3- |
50de0 | 31 38 29 34 2d 31 39 29 31 32 2d 39 28 31 31 2d 37 29 31 35 28 35 2d 32 30 29 36 2d 32 31 2f 68 | 18)4-19)12-9(11-7)15(5-20)6-21/h |
50e00 | 31 36 2d 32 31 48 2c 31 2d 36 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 be f8 5e 46 50 01 00 | 16-21H,1-6H2..updated_at...^FP.. |
50e20 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 bc f8 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at...^FP....default_fi |
50e40 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 b9 02 00 00 07 5f 69 64 00 56 16 1c | ngerprint_size..........._id.V.. |
50e60 | 68 2b 72 ed 2b 40 00 01 b3 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | h+r.+@....warnings.......fingerp |
50e80 | 72 69 6e 74 73 00 c8 01 00 00 04 4d 50 32 44 00 bd 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 | rints......MP2D......0.....1;1-1 |
50ea0 | 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 | -1;2-1-1;..1.....1;1-2-1;2-1-1;. |
50ec0 | 02 32 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 33 00 1b | .2.....1;1-2-1;2-1-1;2-1-6;..3.. |
50ee0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 | ...1;1-1-1;1-1-6;2-1-1;2-1-2;..4 |
50f00 | 00 22 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 | ."...6;1-1-1;1-1-2;2-1-1;2-1-9;2 |
50f20 | 2d 31 2d 31 39 3b 00 02 35 00 22 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d | -1-19;..5."...2;1-1-6;1-1-9;1-1- |
50f40 | 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 36 00 28 00 00 00 31 39 3b 31 2d 31 2d 31 3b | 19;2-2-1;2-1-6;..6.(...19;1-1-1; |
50f60 | 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 32 2d 39 3b 00 02 | 1-1-2;1-1-6;2-1-1;2-1-6;2-2-9;.. |
50f80 | 37 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 | 7."...1;1-1-1;1-1-19;2-1-1;2-1-2 |
50fa0 | 3b 32 2d 31 2d 36 3b 00 02 38 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 | ;2-1-6;..8.....1;1-2-1;2-1-1;2-1 |
50fc0 | 2d 31 39 3b 00 02 39 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 30 00 0f | -19;..9.....1;1-2-1;2-1-1;..10.. |
50fe0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 31 00 1c 00 00 00 36 3b 31 2d 31 2d | ...1;1-1-1;2-1-1;..11.....6;1-1- |
51000 | 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 32 00 10 00 00 00 39 3b | 9;1-1-19;2-1-1;2-1-2;..12.....9; |
51020 | 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d | 1-1-6;2-1-19;..13.....9;1-1-2;2- |
51040 | 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 15 00 00 00 43 43 43 43 4e 3d | 1-6;2-1-19;....smiles.....CCCCN= |
51060 | 43 28 4e 28 43 43 43 43 29 4e 3d 4f 29 4f 00 02 69 6e 63 68 69 00 4c 00 00 00 49 6e 43 68 49 3d | C(N(CCCC)N=O)O..inchi.L...InChI= |
51080 | 31 53 2f 43 39 48 31 39 4e 33 4f 32 2f 63 31 2d 33 2d 35 2d 37 2d 31 30 2d 39 28 31 33 29 31 32 | 1S/C9H19N3O2/c1-3-5-7-10-9(13)12 |
510a0 | 28 31 31 2d 31 34 29 38 2d 36 2d 34 2d 32 2f 68 33 2d 38 48 32 2c 31 2d 32 48 33 2c 28 48 2c 31 | (11-14)8-6-4-2/h3-8H2,1-2H3,(H,1 |
510c0 | 30 2c 31 33 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 c4 f8 5e 46 50 01 00 00 09 63 72 65 61 74 | 0,13)..updated_at...^FP....creat |
510e0 | 65 64 5f 61 74 00 c3 f8 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at...^FP....default_fingerpri |
51100 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 db 03 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 | nt_size..........._id.V..h+r.+@. |
51120 | 01 b4 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b9 | ...warnings.......fingerprints.. |
51140 | 02 00 00 04 4d 50 32 44 00 ae 02 00 00 02 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 | ....MP2D......0.....32;1-1-2;2-1 |
51160 | 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 31 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 | -1;2-1-32;..1.....2;1-1-1;1-2-32 |
51180 | 3b 32 2d 32 2d 31 3b 00 02 32 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d | ;2-2-1;..2.....32;1-1-2;2-1-1;2- |
511a0 | 31 2d 33 32 3b 00 02 33 00 29 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 | 1-32;..3.)...1;1-2-1;1-1-2;2-2-1 |
511c0 | 3b 32 2d 32 2d 32 3b 32 2d 31 2d 31 35 3b 32 2d 32 2d 33 32 3b 00 02 34 00 29 00 00 00 31 3b 31 | ;2-2-2;2-1-15;2-2-32;..4.)...1;1 |
511e0 | 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 31 35 3b 32 2d | -2-1;1-1-2;2-2-1;2-2-2;2-1-15;2- |
51200 | 32 2d 33 32 3b 00 02 35 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 32 2d | 2-32;..5.....2;1-1-1;1-2-32;2-2- |
51220 | 31 3b 00 02 36 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b | 1;..6.....32;1-1-2;2-1-1;2-1-32; |
51240 | 00 02 37 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 | ..7.....32;1-1-2;2-1-1;2-1-32;.. |
51260 | 38 00 29 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 31 | 8.)...1;1-2-1;1-1-2;1-1-15;2-2-1 |
51280 | 3b 32 2d 32 2d 32 3b 32 2d 33 2d 31 35 3b 00 02 39 00 23 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d | ;2-2-2;2-3-15;..9.#...1;1-2-1;1- |
512a0 | 32 2d 31 35 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 32 2d 32 2d 31 35 3b 00 02 31 30 00 29 00 00 | 2-15;2-2-1;2-2-2;2-2-15;..10.).. |
512c0 | 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 31 3b 32 2d 32 2d | .1;1-2-1;1-1-2;1-1-15;2-2-1;2-2- |
512e0 | 32 3b 32 2d 33 2d 31 35 3b 00 02 31 31 00 16 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 | 2;2-3-15;..11.....15;1-1-1;2-2-1 |
51300 | 3b 32 2d 31 2d 32 3b 00 02 31 32 00 23 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d | ;2-1-2;..12.#...2;1-1-1;1-1-2;1- |
51320 | 31 2d 31 35 3b 32 2d 33 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 31 33 00 23 00 00 00 32 3b 31 2d 31 | 1-15;2-3-1;2-2-15;..13.#...2;1-1 |
51340 | 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 31 | -1;1-1-2;1-1-15;2-3-1;2-2-15;..1 |
51360 | 34 00 16 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 35 00 | 4.....15;1-1-2;2-1-1;2-1-2;..15. |
51380 | 16 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 36 00 17 00 | ....15;1-1-2;2-1-1;2-1-2;..16... |
513a0 | 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 31 37 00 17 00 00 | ..15;1-1-1;2-2-1;2-1-15;..17.... |
513c0 | 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 31 38 00 16 00 00 00 | .15;1-1-1;2-2-1;2-1-15;..18..... |
513e0 | 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 | 15;1-1-1;2-2-1;2-1-2;....smiles. |
51400 | 31 00 00 00 4f 43 28 3d 4f 29 43 31 43 28 43 28 3d 4f 29 4f 29 43 32 28 43 28 43 31 28 43 6c 29 | 1...OC(=O)C1C(C(=O)O)C2(C(C1(Cl) |
51420 | 43 28 3d 43 32 43 6c 29 43 6c 29 28 43 6c 29 43 6c 29 43 6c 00 02 69 6e 63 68 69 00 61 00 00 00 | C(=C2Cl)Cl)(Cl)Cl)Cl..inchi.a... |
51440 | 49 6e 43 68 49 3d 31 53 2f 43 39 48 34 43 6c 36 4f 34 2f 63 31 30 2d 33 2d 34 28 31 31 29 38 28 | InChI=1S/C9H4Cl6O4/c10-3-4(11)8( |
51460 | 31 33 29 32 28 36 28 31 38 29 31 39 29 31 28 35 28 31 36 29 31 37 29 37 28 33 2c 31 32 29 39 28 | 13)2(6(18)19)1(5(16)17)7(3,12)9( |
51480 | 38 2c 31 34 29 31 35 2f 68 31 2d 32 48 2c 28 48 2c 31 36 2c 31 37 29 28 48 2c 31 38 2c 31 39 29 | 8,14)15/h1-2H,(H,16,17)(H,18,19) |
514a0 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 cb f8 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at...^FP....created_at |
514c0 | 00 ca f8 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | ...^FP....default_fingerprint_si |
514e0 | 7a 65 00 00 00 00 00 00 e9 03 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 b5 04 77 61 | ze..........._id.V..h+r.+@....wa |
51500 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 d1 02 00 00 04 4d | rnings.......fingerprints......M |
51520 | 50 32 44 00 c6 02 00 00 02 30 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 | P2D......0.....9;1-1-2;2-1-1;2-1 |
51540 | 2d 36 3b 00 02 31 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 | -6;..1."...2;1-1-1;1-1-6;1-1-9;2 |
51560 | 2d 31 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 32 00 29 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d | -1-3;2-3-16;..2.)...6;1-1-2;1-1- |
51580 | 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 33 00 | 3;2-1-1;2-1-9;2-1-11;2-1-18;..3. |
515a0 | 23 00 00 00 33 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 38 3b 32 2d 31 2d 32 3b | #...3;1-1-6;1-1-11;1-1-18;2-1-2; |
515c0 | 32 2d 32 2d 33 3b 00 02 34 00 1d 00 00 00 31 38 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 | 2-2-3;..4.....18;1-2-3;2-1-3;2-1 |
515e0 | 2d 36 3b 32 2d 31 2d 31 31 3b 00 02 35 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 38 | -6;2-1-11;..5.....3;1-1-3;1-1-18 |
51600 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 36 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | ;2-2-3;2-1-11;..6.#...3;1-2-3;1- |
51620 | 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 38 3b 00 02 37 00 1d 00 00 00 | 1-11;2-2-3;2-1-9;2-1-18;..7..... |
51640 | 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 38 3b 00 02 38 00 | 11;1-2-3;2-2-3;2-1-6;2-1-18;..8. |
51660 | 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 | ....3;1-2-3;1-1-9;2-3-3;2-1-11;. |
51680 | 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 30 00 | .9.....3;1-2-3;2-2-3;2-1-9;..10. |
516a0 | 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 | ....3;1-2-3;2-1-3;2-1-9;2-1-19;. |
516c0 | 02 31 31 00 22 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 | .11."...3;1-1-3;1-1-9;1-1-19;2-2 |
516e0 | 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 32 00 16 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b | -3;2-2-9;..12.....9;1-2-3;2-3-3; |
51700 | 32 2d 31 2d 31 39 3b 00 02 31 33 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 | 2-1-19;..13.....19;1-1-3;1-2-9;2 |
51720 | 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 34 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 | -1-3;2-1-9;..14.....9;1-1-19;2-1 |
51740 | 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 35 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 | -3;2-1-9;..15.....9;1-1-19;2-1-3 |
51760 | 3b 32 2d 31 2d 39 3b 00 02 31 36 00 1c 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 33 2d 31 36 3b 32 | ;2-1-9;..16.....1;1-1-2;1-3-16;2 |
51780 | 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 31 37 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 | -1-6;2-1-9;..17.....16;1-1-1;2-1 |
517a0 | 2d 32 3b 32 2d 32 2d 31 36 3b 00 02 31 38 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d | -2;2-2-16;..18.....16;1-1-1;2-1- |
517c0 | 32 3b 32 2d 32 2d 31 36 3b 00 02 31 39 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 | 2;2-2-16;..19.....16;1-1-1;2-1-2 |
517e0 | 3b 32 2d 32 2d 31 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 28 00 00 00 4f 43 28 3d 4e 63 31 73 63 | ;2-2-16;....smiles.(...OC(=Nc1sc |
51800 | 63 28 6e 31 29 63 31 63 63 63 28 6f 31 29 4e 28 3d 4f 29 3d 4f 29 43 28 46 29 28 46 29 46 00 02 | c(n1)c1ccc(o1)N(=O)=O)C(F)(F)F.. |
51820 | 69 6e 63 68 69 00 60 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 34 46 33 4e 33 4f 34 53 2f 63 | inchi.`...InChI=1S/C9H4F3N3O4S/c |
51840 | 31 30 2d 39 28 31 31 2c 31 32 29 37 28 31 36 29 31 34 2d 38 2d 31 33 2d 34 28 33 2d 32 30 2d 38 | 10-9(11,12)7(16)14-8-13-4(3-20-8 |
51860 | 29 35 2d 31 2d 32 2d 36 28 31 39 2d 35 29 31 35 28 31 37 29 31 38 2f 68 31 2d 33 48 2c 28 48 2c | )5-1-2-6(19-5)15(17)18/h1-3H,(H, |
51880 | 31 33 2c 31 34 2c 31 36 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 d2 f8 5e 46 50 01 00 00 09 63 | 13,14,16)..updated_at...^FP....c |
518a0 | 72 65 61 74 65 64 5f 61 74 00 d1 f8 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at...^FP....default_finge |
518c0 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 70 03 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 | rprint_size......p...._id.V..h+r |
518e0 | ed 2b 40 00 01 b6 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .+@....warnings.......fingerprin |
51900 | 74 73 00 66 02 00 00 04 4d 50 32 44 00 5b 02 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b | ts.f....MP2D.[....0.....1;1-1-2; |
51920 | 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 31 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 2-1-6;2-1-9;..1.....2;1-1-1;1-1- |
51940 | 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 33 3b 00 02 32 00 29 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d | 6;1-1-9;2-1-3;..2.)...6;1-1-2;1- |
51960 | 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 | 1-3;2-1-1;2-1-9;2-1-11;2-1-18;.. |
51980 | 33 00 23 00 00 00 33 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 38 3b 32 2d 31 2d | 3.#...3;1-1-6;1-1-11;1-1-18;2-1- |
519a0 | 32 3b 32 2d 32 2d 33 3b 00 02 34 00 1d 00 00 00 31 38 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 | 2;2-2-3;..4.....18;1-2-3;2-1-3;2 |
519c0 | 2d 31 2d 36 3b 32 2d 31 2d 31 31 3b 00 02 35 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d | -1-6;2-1-11;..5.....3;1-1-3;1-1- |
519e0 | 31 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 36 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b | 18;2-2-3;2-1-11;..6.#...3;1-2-3; |
51a00 | 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 38 3b 00 02 37 00 1d 00 | 1-1-11;2-2-3;2-1-9;2-1-18;..7... |
51a20 | 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 38 3b 00 02 | ..11;1-2-3;2-2-3;2-1-6;2-1-18;.. |
51a40 | 38 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 | 8.....3;1-2-3;1-1-9;2-3-3;2-1-11 |
51a60 | 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 | ;..9.....3;1-2-3;2-2-3;2-1-9;..1 |
51a80 | 30 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 | 0.....3;1-2-3;2-1-3;2-1-9;2-1-19 |
51aa0 | 3b 00 02 31 31 00 22 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 | ;..11."...3;1-1-3;1-1-9;1-1-19;2 |
51ac0 | 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 32 00 16 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 33 2d | -2-3;2-2-9;..12.....9;1-2-3;2-3- |
51ae0 | 33 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 | 3;2-1-19;..13.....19;1-1-3;1-2-9 |
51b00 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 34 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 | ;2-1-3;2-1-9;..14.....9;1-1-19;2 |
51b20 | 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 35 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 | -1-3;2-1-9;..15.....9;1-1-19;2-1 |
51b40 | 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 36 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b | -3;2-1-9;..16.....9;1-1-2;2-1-1; |
51b60 | 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 21 00 00 00 43 43 28 3d 4e 63 31 73 63 63 28 | 2-1-6;....smiles.!...CC(=Nc1scc( |
51b80 | 6e 31 29 63 31 63 63 63 28 6f 31 29 4e 28 3d 4f 29 3d 4f 29 4f 00 02 69 6e 63 68 69 00 59 00 00 | n1)c1ccc(o1)N(=O)=O)O..inchi.Y.. |
51ba0 | 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 37 4e 33 4f 34 53 2f 63 31 2d 35 28 31 33 29 31 30 2d 39 | .InChI=1S/C9H7N3O4S/c1-5(13)10-9 |
51bc0 | 2d 31 31 2d 36 28 34 2d 31 37 2d 39 29 37 2d 32 2d 33 2d 38 28 31 36 2d 37 29 31 32 28 31 34 29 | -11-6(4-17-9)7-2-3-8(16-7)12(14) |
51be0 | 31 35 2f 68 32 2d 34 48 2c 31 48 33 2c 28 48 2c 31 30 2c 31 31 2c 31 33 29 00 09 75 70 64 61 74 | 15/h2-4H,1H3,(H,10,11,13)..updat |
51c00 | 65 64 5f 61 74 00 d9 f8 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d7 f8 5e 46 50 01 | ed_at...^FP....created_at...^FP. |
51c20 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
51c40 | 00 54 03 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 b7 04 77 61 72 6e 69 6e 67 73 00 | .T...._id.V..h+r.+@....warnings. |
51c60 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 4f 02 00 00 04 4d 50 32 44 00 44 02 00 | ......fingerprints.O....MP2D.D.. |
51c80 | 00 02 30 00 18 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 32 2d 32 2d 31 35 3b 00 | ..0.....15;1-1-1;2-1-10;2-2-15;. |
51ca0 | 02 31 00 18 00 00 00 31 3b 31 2d 31 2d 31 30 3b 31 2d 33 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 02 | .1.....1;1-1-10;1-3-15;2-1-28;.. |
51cc0 | 32 00 1e 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 32 3b 32 2d 33 2d | 2.....10;1-1-1;1-1-28;2-2-2;2-3- |
51ce0 | 31 35 3b 00 02 33 00 1d 00 00 00 32 38 3b 31 2d 32 2d 32 3b 31 2d 31 2d 31 30 3b 32 2d 33 2d 31 | 15;..3.....28;1-2-2;1-1-10;2-3-1 |
51d00 | 3b 32 2d 32 2d 39 3b 00 02 34 00 29 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 | ;2-2-9;..4.)...2;1-1-1;1-1-9;1-1 |
51d20 | 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 30 3b 00 02 35 00 16 00 00 00 39 | -28;2-2-1;2-1-2;2-1-10;..5.....9 |
51d40 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 36 00 28 00 00 00 31 3b 31 2d | ;1-1-2;2-1-1;2-1-28;..6.(...1;1- |
51d60 | 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d | 2-1;1-1-2;2-1-1;2-2-2;2-1-9;2-1- |
51d80 | 32 38 3b 00 02 37 00 28 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 | 28;..7.(...1;1-2-1;1-1-2;2-1-1;2 |
51da0 | 2d 32 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 38 00 29 00 00 00 32 3b 31 2d 31 2d | -2-2;2-1-9;2-1-28;..8.)...2;1-1- |
51dc0 | 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 | 1;1-1-9;1-1-28;2-2-1;2-1-2;2-1-1 |
51de0 | 30 3b 00 02 39 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 | 0;..9.....9;1-1-2;2-1-1;2-1-28;. |
51e00 | 02 31 30 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d | .10.....1;1-1-1;1-1-2;2-1-1;2-2- |
51e20 | 32 3b 00 02 31 31 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 | 2;..11.....2;1-1-1;1-1-2;2-2-1;. |
51e40 | 02 31 32 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 02 31 33 | .12.....2;1-1-1;1-1-2;2-2-1;..13 |
51e60 | 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 | .....1;1-1-1;1-1-2;2-1-1;2-2-2;. |
51e80 | 02 31 34 00 18 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 32 2d 32 2d 31 35 3b 00 | .14.....15;1-1-1;2-1-10;2-2-15;. |
51ea0 | 02 31 35 00 18 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 32 2d 32 2d 31 35 3b 00 | .15.....15;1-1-1;2-1-10;2-2-15;. |
51ec0 | 00 00 02 73 6d 69 6c 65 73 00 23 00 00 00 43 6c 43 28 53 4e 31 43 28 3d 4f 29 43 32 43 28 43 31 | ...smiles.#...ClC(SN1C(=O)C2C(C1 |
51ee0 | 3d 4f 29 43 43 3d 43 43 32 29 28 43 6c 29 43 6c 00 02 69 6e 63 68 69 00 52 00 00 00 49 6e 43 68 | =O)CC=CC2)(Cl)Cl..inchi.R...InCh |
51f00 | 49 3d 31 53 2f 43 39 48 38 43 6c 33 4e 4f 32 53 2f 63 31 30 2d 39 28 31 31 2c 31 32 29 31 36 2d | I=1S/C9H8Cl3NO2S/c10-9(11,12)16- |
51f20 | 31 33 2d 37 28 31 34 29 35 2d 33 2d 31 2d 32 2d 34 2d 36 28 35 29 38 28 31 33 29 31 35 2f 68 31 | 13-7(14)5-3-1-2-4-6(5)8(13)15/h1 |
51f40 | 2d 32 2c 35 2d 36 48 2c 33 2d 34 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 e0 f8 5e 46 50 01 | -2,5-6H,3-4H2..updated_at...^FP. |
51f60 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 de f8 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at...^FP....default_f |
51f80 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 36 03 00 00 07 5f 69 64 00 56 16 | ingerprint_size......6...._id.V. |
51fa0 | 1c 68 2b 72 ed 2b 40 00 01 b8 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | .h+r.+@....warnings.......finger |
51fc0 | 70 72 69 6e 74 73 00 33 02 00 00 04 4d 50 32 44 00 28 02 00 00 02 30 00 10 00 00 00 39 3b 31 2d | prints.3....MP2D.(....0.....9;1- |
51fe0 | 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 | 1-6;2-1-19;..1.....6;1-1-9;1-1-1 |
52000 | 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 22 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 | 9;2-1-1;2-1-2;..2."...19;1-1-1;1 |
52020 | 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 36 3b 32 2d 32 2d 39 3b 00 02 33 00 28 00 00 00 32 | -1-2;1-1-6;2-1-6;2-2-9;..3.(...2 |
52040 | 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b | ;1-1-6;1-1-9;1-1-19;2-1-1;2-1-3; |
52060 | 32 2d 31 2d 36 3b 00 02 34 00 2a 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d | 2-1-6;..4.*...6;1-1-2;1-1-3;2-1- |
52080 | 39 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 31 39 3b 00 02 35 00 23 00 00 00 33 | 9;2-1-11;2-1-18;2-1-19;..5.#...3 |
520a0 | 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 | ;1-1-6;1-1-11;1-1-18;2-1-2;2-2-3 |
520c0 | 3b 00 02 36 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d | ;..6.....11;1-2-3;2-2-3;2-1-6;2- |
520e0 | 31 2d 31 38 3b 00 02 37 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d | 1-18;..7.....3;1-2-3;1-1-11;2-3- |
52100 | 33 3b 32 2d 31 2d 31 38 3b 00 02 38 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 38 3b | 3;2-1-18;..8.....3;1-2-3;1-1-18; |
52120 | 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 39 00 1d 00 00 00 31 38 3b 31 2d 32 2d 33 3b 32 2d | 2-3-3;2-1-11;..9.....18;1-2-3;2- |
52140 | 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d | 2-3;2-1-6;2-1-11;..10.....3;1-2- |
52160 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b | 3;2-2-3;2-1-18;..11.....3;1-2-3; |
52180 | 32 2d 32 2d 33 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | 2-2-3;..12.....3;1-2-3;2-2-3;..1 |
521a0 | 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 34 00 | 3.....3;1-2-3;2-2-3;2-1-11;..14. |
521c0 | 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 35 00 16 00 | ....9;1-1-2;2-1-6;2-1-19;..15... |
521e0 | 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 | ..1;1-1-19;2-1-2;2-1-6;....smile |
52200 | 73 00 1d 00 00 00 4f 3d 4e 4e 28 43 28 3d 4e 63 31 6e 63 32 63 28 73 31 29 63 63 63 63 32 29 4f | s.....O=NN(C(=Nc1nc2c(s1)cccc2)O |
52220 | 29 43 00 02 69 6e 63 68 69 00 56 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 38 4e 34 4f 32 53 | )C..inchi.V...InChI=1S/C9H8N4O2S |
52240 | 2f 63 31 2d 31 33 28 31 32 2d 31 35 29 39 28 31 34 29 31 31 2d 38 2d 31 30 2d 36 2d 34 2d 32 2d | /c1-13(12-15)9(14)11-8-10-6-4-2- |
52260 | 33 2d 35 2d 37 28 36 29 31 36 2d 38 2f 68 32 2d 35 48 2c 31 48 33 2c 28 48 2c 31 30 2c 31 31 2c | 3-5-7(6)16-8/h2-5H,1H3,(H,10,11, |
52280 | 31 34 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 e6 f8 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 | 14)..updated_at...^FP....created |
522a0 | 5f 61 74 00 e5 f8 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...^FP....default_fingerprint |
522c0 | 5f 73 69 7a 65 00 00 00 00 00 00 0d 03 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 b9 | _size..........._id.V..h+r.+@... |
522e0 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 0c 02 00 | .warnings.......fingerprints.... |
52300 | 00 04 4d 50 32 44 00 01 02 00 00 02 30 00 10 00 00 00 35 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 | ..MP2D......0.....5;1-1-19;2-1-3 |
52320 | 3b 00 02 31 00 1e 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 31 3b 32 | ;..1.....19;1-1-3;1-1-5;2-1-11;2 |
52340 | 2d 31 2d 31 38 3b 00 02 32 00 24 00 00 00 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 38 3b 31 2d | -1-18;..2.$...3;1-1-11;1-1-18;1- |
52360 | 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 00 02 33 00 1e 00 00 00 31 38 3b 31 2d 32 2d | 1-19;2-2-3;2-1-5;..3.....18;1-2- |
52380 | 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 34 00 1d 00 00 00 33 3b | 3;2-1-3;2-1-11;2-1-19;..4.....3; |
523a0 | 31 2d 31 2d 33 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 35 00 1d 00 | 1-1-3;1-1-18;2-2-3;2-1-11;..5... |
523c0 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 | ..3;1-2-3;1-1-11;2-3-3;2-1-18;.. |
523e0 | 36 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d | 6.....11;1-2-3;2-2-3;2-1-18;2-1- |
52400 | 31 39 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b | 19;..7.....3;1-3-3;2-3-3;2-1-11; |
52420 | 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 39 00 16 00 00 00 33 3b | ..8.....3;1-2-3;2-3-3;..9.....3; |
52440 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 2d | 1-2-3;2-2-3;2-1-19;..10.....3;1- |
52460 | 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 31 00 16 00 00 00 | 2-3;1-1-19;2-2-3;2-2-9;..11..... |
52480 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 32 00 0f 00 00 00 33 3b | 3;1-2-3;2-2-3;2-1-19;..12.....3; |
524a0 | 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 33 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d | 1-2-3;2-3-3;..13.....19;1-1-3;1- |
524c0 | 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 31 34 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d | 2-9;2-2-3;..14.....9;1-1-19;2-1- |
524e0 | 33 3b 32 2d 31 2d 39 3b 00 02 31 35 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b | 3;2-1-9;..15.....9;1-1-19;2-1-3; |
52500 | 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 1d 00 00 00 4e 4e 63 31 73 63 63 28 6e 31 29 | 2-1-9;....smiles.....NNc1scc(n1) |
52520 | 63 31 63 63 63 28 63 63 31 29 4e 28 3d 4f 29 3d 4f 00 02 69 6e 63 68 69 00 54 00 00 00 49 6e 43 | c1ccc(cc1)N(=O)=O..inchi.T...InC |
52540 | 68 49 3d 31 53 2f 43 39 48 38 4e 34 4f 32 53 2f 63 31 30 2d 31 32 2d 39 2d 31 31 2d 38 28 35 2d | hI=1S/C9H8N4O2S/c10-12-9-11-8(5- |
52560 | 31 36 2d 39 29 36 2d 31 2d 33 2d 37 28 34 2d 32 2d 36 29 31 33 28 31 34 29 31 35 2f 68 31 2d 35 | 16-9)6-1-3-7(4-2-6)13(14)15/h1-5 |
52580 | 48 2c 31 30 48 32 2c 28 48 2c 31 31 2c 31 32 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 ed f8 5e | H,10H2,(H,11,12)..updated_at...^ |
525a0 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 eb f8 5e 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at...^FP....defaul |
525c0 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 a1 03 00 00 07 5f 69 64 | t_fingerprint_size..........._id |
525e0 | 00 56 16 1c 68 2b 72 ed 2b 40 00 01 ba 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..h+r.+@....warnings.......fin |
52600 | 67 65 72 70 72 69 6e 74 73 00 93 02 00 00 04 4d 50 32 44 00 88 02 00 00 02 30 00 15 00 00 00 31 | gerprints......MP2D......0.....1 |
52620 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 31 00 1b 00 00 00 32 3b 31 2d 31 | ;1-1-2;2-1-6;2-1-9;..1.....2;1-1 |
52640 | 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 00 02 32 00 21 00 00 00 36 3b 31 | -1;1-1-6;1-1-9;2-1-1;..2.!...6;1 |
52660 | 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 | -1-1;1-1-2;2-1-1;2-1-3;2-1-9;..3 |
52680 | 00 22 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 | ."...1;1-1-3;1-1-6;2-1-2;2-1-9;2 |
526a0 | 2d 31 2d 31 31 3b 00 02 34 00 29 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d | -1-11;..4.)...3;1-1-1;1-1-9;1-1- |
526c0 | 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 31 3b 00 02 35 00 23 00 00 00 39 3b | 11;2-1-3;2-1-6;2-1-11;..5.#...9; |
526e0 | 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b | 1-1-3;1-1-11;2-1-1;2-1-3;2-1-11; |
52700 | 00 02 36 00 1d 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 32 2d 31 | ..6.....11;1-1-3;1-1-9;2-2-3;2-1 |
52720 | 2d 31 31 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d 33 | -11;..7.....3;1-1-3;1-2-11;2-2-3 |
52740 | 3b 32 2d 32 2d 39 3b 00 02 38 00 23 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | ;2-2-9;..8.#...11;1-2-3;2-1-1;2- |
52760 | 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 39 00 1c 00 00 00 33 3b 31 2d 32 2d 33 | 1-3;2-1-9;2-1-11;..9.....3;1-2-3 |
52780 | 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 30 00 15 00 00 00 33 3b 31 | ;1-1-9;2-2-3;2-2-11;..10.....3;1 |
527a0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 31 00 1c 00 00 00 33 3b 31 2d 32 2d | -2-3;2-2-3;2-1-9;..11.....3;1-2- |
527c0 | 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 32 00 22 00 00 00 33 3b | 3;2-1-3;2-1-9;2-1-19;..12."...3; |
527e0 | 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 | 1-1-3;1-1-9;1-1-19;2-2-3;2-2-9;. |
52800 | 02 31 33 00 16 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 | .13.....9;1-2-3;2-3-3;2-1-19;..1 |
52820 | 34 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 | 4.....19;1-1-3;1-2-9;2-1-3;2-1-9 |
52840 | 3b 00 02 31 35 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 | ;..15.....9;1-1-19;2-1-3;2-1-9;. |
52860 | 02 31 36 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 | .16.....9;1-1-19;2-1-3;2-1-9;..1 |
52880 | 37 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d | 7.....9;1-1-2;2-1-1;2-1-6;....sm |
528a0 | 69 6c 65 73 00 22 00 00 00 43 43 28 3d 4e 43 63 31 6f 6e 63 28 6e 31 29 63 31 63 63 63 28 6f 31 | iles."...CC(=NCc1onc(n1)c1ccc(o1 |
528c0 | 29 4e 28 3d 4f 29 3d 4f 29 4f 00 02 69 6e 63 68 69 00 5c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | )N(=O)=O)O..inchi.\...InChI=1S/C |
528e0 | 39 48 38 4e 34 4f 35 2f 63 31 2d 35 28 31 34 29 31 30 2d 34 2d 37 2d 31 31 2d 39 28 31 32 2d 31 | 9H8N4O5/c1-5(14)10-4-7-11-9(12-1 |
52900 | 38 2d 37 29 36 2d 32 2d 33 2d 38 28 31 37 2d 36 29 31 33 28 31 35 29 31 36 2f 68 32 2d 33 48 2c | 8-7)6-2-3-8(17-6)13(15)16/h2-3H, |
52920 | 34 48 32 2c 31 48 33 2c 28 48 2c 31 30 2c 31 34 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 f4 f8 | 4H2,1H3,(H,10,14)..updated_at... |
52940 | 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f2 f8 5e 46 50 01 00 00 10 64 65 66 61 75 | ^FP....created_at...^FP....defau |
52960 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 57 02 00 00 07 5f 69 | lt_fingerprint_size......W...._i |
52980 | 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 bb 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..h+r.+@....warnings.......fi |
529a0 | 6e 67 65 72 70 72 69 6e 74 73 00 7b 01 00 00 04 4d 50 32 44 00 70 01 00 00 02 30 00 15 00 00 00 | ngerprints.{....MP2D.p....0..... |
529c0 | 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 21 00 00 00 32 3b 31 2d | 9;1-1-2;2-1-1;2-1-8;..1.!...2;1- |
529e0 | 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 00 | 1-1;1-1-8;1-1-9;2-1-1;2-1-3;..2. |
52a00 | 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d | !...1;1-1-1;1-1-2;2-1-3;2-1-8;2- |
52a20 | 31 2d 39 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 32 3b | 1-9;..3.....1;1-1-1;1-1-3;2-1-2; |
52a40 | 32 2d 32 2d 33 3b 00 02 34 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 2-2-3;..4.!...3;1-1-1;1-2-3;2-1- |
52a60 | 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 1;2-2-3;2-1-8;..5.!...3;1-2-3;1- |
52a80 | 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 21 00 00 00 38 3b | 1-8;2-1-1;2-1-2;2-2-3;..6.!...8; |
52aa0 | 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 | 1-1-2;1-1-3;2-1-1;2-2-3;2-1-9;.. |
52ac0 | 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 0f 00 | 7.....3;1-2-3;2-2-3;2-1-8;..8... |
52ae0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b | ..3;1-2-3;2-2-3;..9.....3;1-2-3; |
52b00 | 32 2d 32 2d 33 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 | 2-2-3;..10.....3;1-2-3;2-1-1;2-2 |
52b20 | 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 13 00 00 00 4f 3d 43 31 43 43 63 32 63 28 4f 31 29 63 | -3;....smiles.....O=C1CCc2c(O1)c |
52b40 | 63 63 63 32 00 02 69 6e 63 68 69 00 39 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 38 4f 32 2f | ccc2..inchi.9...InChI=1S/C9H8O2/ |
52b60 | 63 31 30 2d 39 2d 36 2d 35 2d 37 2d 33 2d 31 2d 32 2d 34 2d 38 28 37 29 31 31 2d 39 2f 68 31 2d | c10-9-6-5-7-3-1-2-4-8(7)11-9/h1- |
52b80 | 34 48 2c 35 2d 36 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 fa f8 5e 46 50 01 00 00 09 63 72 | 4H,5-6H2..updated_at...^FP....cr |
52ba0 | 65 61 74 65 64 5f 61 74 00 f9 f8 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at...^FP....default_finger |
52bc0 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 86 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed | print_size..........._id.V..h+r. |
52be0 | 2b 40 00 01 bc 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | +@....warnings.......fingerprint |
52c00 | 73 00 97 01 00 00 04 4d 50 32 44 00 8c 01 00 00 02 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b | s......MP2D......0.....32;1-1-2; |
52c20 | 32 2d 31 2d 32 3b 32 2d 31 2d 33 32 3b 00 02 31 00 16 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 32 | 2-1-2;2-1-32;..1.....2;1-1-2;1-2 |
52c40 | 2d 33 32 3b 32 2d 31 2d 32 3b 00 02 32 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 | -32;2-1-2;..2.....32;1-1-2;2-1-2 |
52c60 | 3b 32 2d 31 2d 33 32 3b 00 02 33 00 16 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 33 3b 32 2d | ;2-1-32;..3.....2;1-2-2;2-1-3;2- |
52c80 | 32 2d 33 32 3b 00 02 34 00 1b 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 32 | 2-32;..4.....2;1-1-2;1-1-3;2-1-2 |
52ca0 | 3b 32 2d 32 2d 33 3b 00 02 35 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 | ;2-2-3;..5.....3;1-1-2;1-2-3;2-1 |
52cc0 | 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 | -2;2-2-3;..6.....3;1-2-3;2-1-2;2 |
52ce0 | 2d 32 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 | -2-3;..7.....3;1-2-3;2-2-3;2-1-8 |
52d00 | 3b 00 02 38 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 | ;..8.....3;1-2-3;1-1-8;2-2-3;2-1 |
52d20 | 2d 38 3b 00 02 39 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 | -8;..9.....3;1-2-3;1-1-8;2-2-3;2 |
52d40 | 2d 31 2d 38 3b 00 02 31 30 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d | -1-8;..10.....3;1-2-3;2-1-2;2-2- |
52d60 | 33 3b 32 2d 31 2d 38 3b 00 02 31 31 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | 3;2-1-8;..11.....8;1-1-3;2-2-3;. |
52d80 | 02 31 32 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 | .12.....8;1-1-3;2-2-3;....smiles |
52da0 | 00 18 00 00 00 4f 43 28 3d 4f 29 43 3d 43 63 31 63 63 63 28 63 28 63 31 29 4f 29 4f 00 02 69 6e | .....OC(=O)C=Cc1ccc(c(c1)O)O..in |
52dc0 | 63 68 69 00 47 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 38 4f 34 2f 63 31 30 2d 37 2d 33 2d | chi.G...InChI=1S/C9H8O4/c10-7-3- |
52de0 | 31 2d 36 28 35 2d 38 28 37 29 31 31 29 32 2d 34 2d 39 28 31 32 29 31 33 2f 68 31 2d 35 2c 31 30 | 1-6(5-8(7)11)2-4-9(12)13/h1-5,10 |
52e00 | 2d 31 31 48 2c 28 48 2c 31 32 2c 31 33 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 00 f9 5e 46 50 | -11H,(H,12,13)..updated_at...^FP |
52e20 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ff f8 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at...^FP....default_ |
52e40 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 38 01 00 00 07 5f 69 64 00 56 | fingerprint_size......8...._id.V |
52e60 | 16 1c 68 2b 72 ed 2b 40 00 01 bd 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..h+r.+@....warnings.......finge |
52e80 | 72 70 72 69 6e 74 73 00 81 00 00 00 04 4d 50 32 44 00 76 00 00 00 02 30 00 11 00 00 00 31 35 3b | rprints......MP2D.v....0.....15; |
52ea0 | 31 2d 31 2d 31 3b 32 2d 33 2d 31 35 3b 00 02 31 00 0a 00 00 00 31 3b 31 2d 34 2d 31 35 3b 00 02 | 1-1-1;2-3-15;..1.....1;1-4-15;.. |
52ec0 | 32 00 11 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 35 3b 00 02 33 00 11 00 00 00 31 35 | 2.....15;1-1-1;2-3-15;..3.....15 |
52ee0 | 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 35 3b 00 02 34 00 11 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 | ;1-1-1;2-3-15;..4.....15;1-1-1;2 |
52f00 | 2d 33 2d 31 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 0e 00 00 00 43 6c 43 28 43 6c 29 28 43 6c 29 | -3-15;....smiles.....ClC(Cl)(Cl) |
52f20 | 43 6c 00 02 69 6e 63 68 69 00 19 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 43 6c 34 2f 63 32 2d 31 | Cl..inchi.....InChI=1S/CCl4/c2-1 |
52f40 | 28 33 2c 34 29 35 00 09 75 70 64 61 74 65 64 5f 61 74 00 06 f9 5e 46 50 01 00 00 09 63 72 65 61 | (3,4)5..updated_at...^FP....crea |
52f60 | 74 65 64 5f 61 74 00 04 f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at...^FP....default_fingerpr |
52f80 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 3b 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 | int_size......;...._id.V..h+r.+@ |
52fa0 | 00 01 be 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 | ....warnings.......fingerprints. |
52fc0 | 7e 00 00 00 04 4d 50 32 44 00 73 00 00 00 02 30 00 18 00 00 00 31 39 3b 31 2d 31 2d 32 3b 32 2d | ~....MP2D.s....0.....19;1-1-2;2- |
52fe0 | 31 2d 31 30 3b 32 2d 31 2d 31 39 3b 00 02 31 00 11 00 00 00 32 3b 31 2d 31 2d 31 30 3b 31 2d 32 | 1-10;2-1-19;..1.....2;1-1-10;1-2 |
53000 | 2d 31 39 3b 00 02 32 00 18 00 00 00 31 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d | -19;..2.....19;1-1-2;2-1-10;2-1- |
53020 | 31 39 3b 00 02 33 00 11 00 00 00 31 30 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 39 3b 00 00 00 02 73 | 19;..3.....10;1-1-2;2-2-19;....s |
53040 | 6d 69 6c 65 73 00 08 00 00 00 4e 43 28 3d 4e 29 53 00 02 69 6e 63 68 69 00 25 00 00 00 49 6e 43 | miles.....NC(=N)S..inchi.%...InC |
53060 | 68 49 3d 31 53 2f 43 48 34 4e 32 53 2f 63 32 2d 31 28 33 29 34 2f 68 28 48 34 2c 32 2c 33 2c 34 | hI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4 |
53080 | 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 0b f9 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | )..updated_at...^FP....created_a |
530a0 | 74 00 0a f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t...^FP....default_fingerprint_s |
530c0 | 69 7a 65 00 00 00 00 00 00 bd 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 bf 04 77 | ize..........._id.V..h+r.+@....w |
530e0 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ec 00 00 00 04 | arnings.......fingerprints...... |
53100 | 4d 50 32 44 00 e1 00 00 00 02 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 | MP2D......0.....3;1-2-3;2-2-3;.. |
53120 | 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 0f 00 00 00 33 3b 31 2d | 1.....3;1-2-3;2-2-3;..2.....3;1- |
53140 | 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b | 2-3;2-3-3;..3.....3;1-3-3;2-4-3; |
53160 | 00 02 34 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b | ..4.....3;1-3-3;2-4-3;..5.....3; |
53180 | 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d | 1-2-3;2-3-3;..6.....3;1-2-3;2-3- |
531a0 | 33 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 00 | 3;..7.....3;1-2-3;2-2-3;..8..... |
531c0 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 3;1-2-3;2-2-3;..9.....3;1-2-3;2- |
531e0 | 33 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 11 00 00 00 63 31 63 63 63 32 63 28 63 31 29 63 63 | 3-3;....smiles.....c1ccc2c(c1)cc |
53200 | 63 63 32 00 02 69 6e 63 68 69 00 30 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 38 2f 63 31 | cc2..inchi.0...InChI=1S/C10H8/c1 |
53220 | 2d 32 2d 36 2d 31 30 2d 38 2d 34 2d 33 2d 37 2d 39 28 31 30 29 35 2d 31 2f 68 31 2d 38 48 00 09 | -2-6-10-8-4-3-7-9(10)5-1/h1-8H.. |
53240 | 75 70 64 61 74 65 64 5f 61 74 00 11 f9 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 10 | updated_at...^FP....created_at.. |
53260 | f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | .^FP....default_fingerprint_size |
53280 | 00 00 00 00 00 00 2a 03 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 c0 04 77 61 72 6e | ......*...._id.V..h+r.+@....warn |
532a0 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 30 02 00 00 04 4d 50 32 | ings.......fingerprints.0....MP2 |
532c0 | 44 00 25 02 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d | D.%....0.....9;1-1-19;2-1-3;2-1- |
532e0 | 39 3b 00 02 31 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 31 2d 33 3b 32 | 9;..1.....19;1-1-3;1-2-9;2-1-3;2 |
53300 | 2d 31 2d 39 3b 00 02 32 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d | -1-9;..2.....9;1-1-19;2-1-3;2-1- |
53320 | 39 3b 00 02 33 00 22 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 | 9;..3."...3;1-1-3;1-1-9;1-1-19;2 |
53340 | 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 | -2-3;2-2-9;..4.....3;1-2-3;2-1-3 |
53360 | 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-1-9;2-1-19;..5.....3;1-2-3;2- |
53380 | 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b | 2-3;2-1-9;..6.....3;1-2-3;1-1-9; |
533a0 | 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 37 00 16 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 33 | 2-3-3;2-1-11;..7.....9;1-2-3;2-3 |
533c0 | 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 38 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 | -3;2-1-19;..8.#...3;1-2-3;1-1-11 |
533e0 | 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 39 00 1d 00 00 00 33 3b 31 2d | ;2-3-3;2-1-9;2-1-11;..9.....3;1- |
53400 | 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 17 00 00 | 1-3;1-1-11;2-2-3;2-1-11;..10.... |
53420 | 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 16 00 00 00 | .11;1-2-3;2-2-3;2-1-11;..11..... |
53440 | 33 3b 31 2d 31 2d 33 3b 31 2d 32 2d 31 31 3b 32 2d 34 2d 33 3b 00 02 31 32 00 17 00 00 00 31 31 | 3;1-1-3;1-2-11;2-4-3;..12.....11 |
53460 | 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 33 00 16 00 00 00 33 3b 31 | ;1-3-3;2-4-3;2-1-11;..13.....3;1 |
53480 | 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 32 | -1-3;1-1-11;2-3-3;..14.....3;1-2 |
534a0 | 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | -3;2-1-3;2-1-11;..15.....3;1-2-3 |
534c0 | 3b 32 2d 32 2d 33 3b 00 02 31 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d | ;2-2-3;..16.....3;1-2-3;2-1-3;2- |
534e0 | 32 2d 31 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 1e 00 00 00 4f 3d 4e 28 3d 4f 29 63 31 63 63 63 | 2-11;....smiles.....O=N(=O)c1ccc |
53500 | 28 6f 31 29 63 31 63 6e 63 32 6e 31 63 63 63 63 32 00 02 69 6e 63 68 69 00 4c 00 00 00 49 6e 43 | (o1)c1cnc2n1cccc2..inchi.L...InC |
53520 | 68 49 3d 31 53 2f 43 31 31 48 37 4e 33 4f 33 2f 63 31 35 2d 31 34 28 31 36 29 31 31 2d 35 2d 34 | hI=1S/C11H7N3O3/c15-14(16)11-5-4 |
53540 | 2d 39 28 31 37 2d 31 31 29 38 2d 37 2d 31 32 2d 31 30 2d 33 2d 31 2d 32 2d 36 2d 31 33 28 38 29 | -9(17-11)8-7-12-10-3-1-2-6-13(8) |
53560 | 31 30 2f 68 31 2d 37 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 18 f9 5e 46 50 01 00 00 09 63 72 | 10/h1-7H..updated_at...^FP....cr |
53580 | 65 61 74 65 64 5f 61 74 00 17 f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at...^FP....default_finger |
535a0 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 f9 03 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed | print_size..........._id.V..h+r. |
535c0 | 2b 40 00 01 c1 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | +@....warnings.......fingerprint |
535e0 | 73 00 df 02 00 00 04 4d 50 32 44 00 d4 02 00 00 02 30 00 10 00 00 00 31 34 3b 31 2d 31 2d 33 3b | s......MP2D......0.....14;1-1-3; |
53600 | 32 2d 32 2d 33 3b 00 02 31 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 34 3b 32 2d 32 | 2-2-3;..1.#...3;1-2-3;1-1-14;2-2 |
53620 | 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 34 3b 00 02 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-1-8;2-1-14;..2.....3;1-2-3; |
53640 | 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 32 2d 32 2d 31 34 3b 00 02 33 00 0f 00 00 00 38 3b 31 2d 32 | 1-1-8;2-3-3;2-2-14;..3.....8;1-2 |
53660 | 2d 33 3b 32 2d 34 2d 33 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 | -3;2-4-3;..4.....3;1-2-3;1-1-8;2 |
53680 | 2d 33 2d 33 3b 32 2d 32 2d 31 34 3b 00 02 35 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | -3-3;2-2-14;..5.#...3;1-2-3;1-1- |
536a0 | 31 34 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 34 3b 00 02 36 00 10 00 00 00 31 34 | 14;2-2-3;2-1-8;2-1-14;..6.....14 |
536c0 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | ;1-1-3;2-2-3;..7.....3;1-2-3;1-1 |
536e0 | 2d 31 34 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 34 3b 00 02 38 00 10 00 00 00 31 34 3b 31 2d 31 2d | -14;2-2-3;2-2-14;..8.....14;1-1- |
53700 | 33 3b 32 2d 32 2d 33 3b 00 02 39 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 34 3b 32 | 3;2-2-3;..9.....3;1-2-3;1-1-14;2 |
53720 | 2d 32 2d 33 3b 32 2d 32 2d 31 34 3b 00 02 31 30 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | -2-3;2-2-14;..10.....3;1-2-3;1-1 |
53740 | 2d 31 34 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 34 3b 00 02 31 31 00 23 00 00 00 33 3b 31 2d 32 2d | -14;2-2-3;2-2-14;..11.#...3;1-2- |
53760 | 33 3b 31 2d 31 2d 31 34 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 34 3b 00 02 31 32 | 3;1-1-14;2-2-3;2-1-8;2-1-14;..12 |
53780 | 00 10 00 00 00 31 34 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 10 00 00 00 31 34 3b | .....14;1-1-3;2-2-3;..13.....14; |
537a0 | 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 10 00 00 00 31 34 3b 31 2d 31 2d 33 3b 32 2d | 1-1-3;2-2-3;..14.....14;1-1-3;2- |
537c0 | 32 2d 33 3b 00 02 31 35 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 34 3b 32 2d 32 2d | 2-3;..15.#...3;1-2-3;1-1-14;2-2- |
537e0 | 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 34 3b 00 02 31 36 00 10 00 00 00 31 34 3b 31 2d 31 2d 33 | 3;2-1-8;2-1-14;..16.....14;1-1-3 |
53800 | 3b 32 2d 32 2d 33 3b 00 02 31 37 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 34 3b 32 | ;2-2-3;..17.....3;1-2-3;1-1-14;2 |
53820 | 2d 32 2d 33 3b 32 2d 32 2d 31 34 3b 00 02 31 38 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | -2-3;2-2-14;..18.....3;1-2-3;1-1 |
53840 | 2d 31 34 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 34 3b 00 02 31 39 00 1d 00 00 00 33 3b 31 2d 32 2d | -14;2-2-3;2-2-14;..19.....3;1-2- |
53860 | 33 3b 31 2d 31 2d 31 34 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 34 3b 00 02 32 30 00 10 00 00 00 31 | 3;1-1-14;2-2-3;2-2-14;..20.....1 |
53880 | 34 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 31 00 10 00 00 00 31 34 3b 31 2d 31 2d 33 3b | 4;1-1-3;2-2-3;..21.....14;1-1-3; |
538a0 | 32 2d 32 2d 33 3b 00 02 32 32 00 10 00 00 00 31 34 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 | 2-2-3;..22.....14;1-1-3;2-2-3;.. |
538c0 | 00 02 73 6d 69 6c 65 73 00 36 00 00 00 42 72 63 31 63 28 4f 63 32 63 28 42 72 29 63 28 42 72 29 | ..smiles.6...Brc1c(Oc2c(Br)c(Br) |
538e0 | 63 28 63 28 63 32 42 72 29 42 72 29 42 72 29 63 28 42 72 29 63 28 63 28 63 31 42 72 29 42 72 29 | c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br) |
53900 | 42 72 00 02 69 6e 63 68 69 00 54 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 42 72 31 30 4f 2f | Br..inchi.T...InChI=1S/C12Br10O/ |
53920 | 63 31 33 2d 31 2d 33 28 31 35 29 37 28 31 39 29 31 31 28 38 28 32 30 29 34 28 31 29 31 36 29 32 | c13-1-3(15)7(19)11(8(20)4(1)16)2 |
53940 | 33 2d 31 32 2d 39 28 32 31 29 35 28 31 37 29 32 28 31 34 29 36 28 31 38 29 31 30 28 31 32 29 32 | 3-12-9(21)5(17)2(14)6(18)10(12)2 |
53960 | 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 1f f9 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | 2..updated_at...^FP....created_a |
53980 | 74 00 1e f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t...^FP....default_fingerprint_s |
539a0 | 69 7a 65 00 00 00 00 00 00 6a 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 c2 04 77 | ize......j...._id.V..h+r.+@....w |
539c0 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 84 01 00 00 04 | arnings.......fingerprints...... |
539e0 | 4d 50 32 44 00 79 01 00 00 02 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 | MP2D.y....0.....3;1-2-3;2-2-3;.. |
53a00 | 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 15 00 00 00 33 3b 31 2d | 1.....3;1-2-3;2-2-3;..2.....3;1- |
53a20 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 33 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b | 2-3;2-2-3;2-1-6;..3.....3;1-2-3; |
53a40 | 31 2d 31 2d 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d | 1-1-6;2-2-3;2-1-6;..4.....3;1-2- |
53a60 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 3;2-2-3;2-1-6;..5.....3;1-2-3;2- |
53a80 | 32 2d 33 3b 00 02 36 00 15 00 00 00 36 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 33 2d 33 3b | 2-3;..6.....6;1-1-3;1-1-6;2-3-3; |
53aa0 | 00 02 37 00 15 00 00 00 36 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 33 2d 33 3b 00 02 38 00 | ..7.....6;1-1-3;1-1-6;2-3-3;..8. |
53ac0 | 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 | ....3;1-2-3;1-1-6;2-2-3;2-1-6;.. |
53ae0 | 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 30 00 0f | 9.....3;1-2-3;2-2-3;2-1-6;..10.. |
53b00 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d | ...3;1-2-3;2-2-3;..11.....3;1-2- |
53b20 | 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | 3;2-2-3;..12.....3;1-2-3;2-2-3;. |
53b40 | 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 00 00 02 | .13.....3;1-2-3;2-2-3;2-1-6;.... |
53b60 | 73 6d 69 6c 65 73 00 16 00 00 00 63 31 63 63 63 28 63 63 31 29 4e 3d 4e 63 31 63 63 63 63 63 31 | smiles.....c1ccc(cc1)N=Nc1ccccc1 |
53b80 | 00 02 69 6e 63 68 69 00 40 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 30 4e 32 2f 63 31 | ..inchi.@...InChI=1S/C12H10N2/c1 |
53ba0 | 2d 33 2d 37 2d 31 31 28 38 2d 34 2d 31 29 31 33 2d 31 34 2d 31 32 2d 39 2d 35 2d 32 2d 36 2d 31 | -3-7-11(8-4-1)13-14-12-9-5-2-6-1 |
53bc0 | 30 2d 31 32 2f 68 31 2d 31 30 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 25 f9 5e 46 50 01 00 00 | 0-12/h1-10H..updated_at.%.^FP... |
53be0 | 09 63 72 65 61 74 65 64 5f 61 74 00 24 f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.$.^FP....default_fin |
53c00 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 96 02 00 00 07 5f 69 64 00 56 16 1c 68 | gerprint_size..........._id.V..h |
53c20 | 2b 72 ed 2b 40 00 01 c3 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.+@....warnings.......fingerpr |
53c40 | 69 6e 74 73 00 aa 01 00 00 04 4d 50 32 44 00 9f 01 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d | ints......MP2D......0.....9;1-1- |
53c60 | 36 3b 32 2d 31 2d 31 39 3b 00 02 31 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b | 6;2-1-19;..1.....6;1-1-9;1-1-19; |
53c80 | 32 2d 32 2d 33 3b 00 02 32 00 1c 00 00 00 31 39 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 34 | 2-2-3;..2.....19;1-2-3;1-1-6;2-4 |
53ca0 | 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b | -3;2-1-9;..3.....3;1-2-3;1-1-19; |
53cc0 | 32 2d 33 2d 33 3b 32 2d 31 2d 36 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-3-3;2-1-6;..4.....3;1-2-3;2-2- |
53ce0 | 33 3b 32 2d 31 2d 31 39 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | 3;2-1-19;..5.....3;1-2-3;2-2-3;. |
53d00 | 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 0f 00 00 00 33 3b 31 | .6.....3;1-2-3;2-2-3;..7.....3;1 |
53d20 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -2-3;2-2-3;..8.....3;1-2-3;2-2-3 |
53d40 | 3b 32 2d 31 2d 31 39 3b 00 02 39 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 | ;2-1-19;..9.....3;1-2-3;1-1-19;2 |
53d60 | 2d 33 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -3-3;2-1-6;..10.....3;1-2-3;2-2- |
53d80 | 33 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | 3;2-1-19;..11.....3;1-2-3;2-2-3; |
53da0 | 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 | ..12.....3;1-2-3;2-2-3;..13..... |
53dc0 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-2-3;2-2-3;..14.....3;1-2-3;2 |
53de0 | 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 17 00 00 00 4f 3d 4e 4e 28 | -2-3;2-1-19;....smiles.....O=NN( |
53e00 | 63 31 63 63 63 63 63 31 29 63 31 63 63 63 63 63 31 00 02 69 6e 63 68 69 00 45 00 00 00 49 6e 43 | c1ccccc1)c1ccccc1..inchi.E...InC |
53e20 | 68 49 3d 31 53 2f 43 31 32 48 31 30 4e 32 4f 2f 63 31 35 2d 31 33 2d 31 34 28 31 31 2d 37 2d 33 | hI=1S/C12H10N2O/c15-13-14(11-7-3 |
53e40 | 2d 31 2d 34 2d 38 2d 31 31 29 31 32 2d 39 2d 35 2d 32 2d 36 2d 31 30 2d 31 32 2f 68 31 2d 31 30 | -1-4-8-11)12-9-5-2-6-10-12/h1-10 |
53e60 | 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 2c f9 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | H..updated_at.,.^FP....created_a |
53e80 | 74 00 2b f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t.+.^FP....default_fingerprint_s |
53ea0 | 69 7a 65 00 00 00 00 00 00 82 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 c4 04 77 | ize..........._id.V..h+r.+@....w |
53ec0 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 9c 01 00 00 04 | arnings.......fingerprints...... |
53ee0 | 4d 50 32 44 00 91 01 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 | MP2D......0.....9;1-1-6;2-1-19;. |
53f00 | 02 31 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 32 00 | .1.....6;1-1-9;1-1-19;2-2-1;..2. |
53f20 | 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 | ....19;1-2-1;1-1-6;2-2-1;2-1-9;. |
53f40 | 02 33 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d | .3.....1;1-1-1;1-1-19;2-2-1;2-1- |
53f60 | 36 3b 00 02 34 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 | 6;..4.....1;1-2-1;2-1-1;2-1-19;. |
53f80 | 02 35 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 36 00 0f 00 00 00 31 3b 31 | .5.....1;1-2-1;2-2-1;..6.....1;1 |
53fa0 | 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 | -2-1;2-2-1;..7.....1;1-2-1;2-2-1 |
53fc0 | 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 39 00 0f 00 00 00 31 | ;..8.....1;1-2-1;2-2-1;..9.....1 |
53fe0 | 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 30 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d | ;1-2-1;2-2-1;..10.....1;1-2-1;2- |
54000 | 32 2d 31 3b 00 02 31 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 32 00 | 2-1;..11.....1;1-2-1;2-2-1;..12. |
54020 | 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 33 00 16 00 00 00 31 3b 31 2d 32 | ....1;1-2-1;2-2-1;..13.....1;1-2 |
54040 | 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 34 00 1c 00 00 00 31 3b 31 2d 31 2d 31 | -1;2-1-1;2-1-19;..14.....1;1-1-1 |
54060 | 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 13 | ;1-1-19;2-2-1;2-1-6;....smiles.. |
54080 | 00 00 00 4f 3d 4e 4e 31 43 43 43 43 43 43 43 43 43 43 43 43 31 00 02 69 6e 63 68 69 00 43 00 00 | ...O=NN1CCCCCCCCCCCC1..inchi.C.. |
540a0 | 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 32 34 4e 32 4f 2f 63 31 35 2d 31 33 2d 31 34 2d 31 31 | .InChI=1S/C12H24N2O/c15-13-14-11 |
540c0 | 2d 39 2d 37 2d 35 2d 33 2d 31 2d 32 2d 34 2d 36 2d 38 2d 31 30 2d 31 32 2d 31 34 2f 68 31 2d 31 | -9-7-5-3-1-2-4-6-8-10-12-14/h1-1 |
540e0 | 32 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 32 f9 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 | 2H2..updated_at.2.^FP....created |
54100 | 5f 61 74 00 31 f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at.1.^FP....default_fingerprint |
54120 | 5f 73 69 7a 65 00 00 00 00 00 00 44 03 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 c5 | _size......D...._id.V..h+r.+@... |
54140 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 44 02 00 | .warnings.......fingerprints.D.. |
54160 | 00 04 4d 50 32 44 00 39 02 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | ..MP2D.9....0.....15;1-1-3;2-2-3 |
54180 | 3b 00 02 31 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d | ;..1.....3;1-2-3;1-1-15;2-2-3;2- |
541a0 | 31 2d 31 35 3b 00 02 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 | 1-15;..2.....3;1-2-3;2-2-3;2-1-8 |
541c0 | 3b 32 2d 31 2d 31 35 3b 00 02 33 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d | ;2-1-15;..3.....3;1-2-3;1-1-8;2- |
541e0 | 33 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 0f 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b | 3-3;2-1-8;..4.....8;1-2-3;2-4-3; |
54200 | 00 02 35 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 32 2d 31 2d | ..5.....3;1-2-3;1-1-8;2-3-3;2-1- |
54220 | 38 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d | 8;..6.....3;1-2-3;2-2-3;2-1-8;2- |
54240 | 31 2d 31 35 3b 00 02 37 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d | 1-15;..7.....3;1-2-3;1-1-15;2-2- |
54260 | 33 3b 32 2d 31 2d 31 35 3b 00 02 38 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b | 3;2-1-15;..8.....15;1-1-3;2-2-3; |
54280 | 00 02 39 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 | ..9.....3;1-2-3;1-1-15;2-2-3;2-1 |
542a0 | 2d 31 35 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 | -15;..10.....3;1-2-3;2-2-3;2-1-8 |
542c0 | 3b 32 2d 31 2d 31 35 3b 00 02 31 31 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 | ;2-1-15;..11.....3;1-2-3;1-1-8;2 |
542e0 | 2d 33 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 32 00 0f 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 2d | -3-3;2-1-8;..12.....8;1-2-3;2-4- |
54300 | 33 3b 00 02 31 33 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 32 | 3;..13.....3;1-2-3;1-1-8;2-3-3;2 |
54320 | 2d 31 2d 38 3b 00 02 31 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | -1-8;..14.....3;1-2-3;2-2-3;2-1- |
54340 | 38 3b 32 2d 31 2d 31 35 3b 00 02 31 35 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 | 8;2-1-15;..15.....3;1-2-3;1-1-15 |
54360 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 36 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b | ;2-2-3;2-1-15;..16.....15;1-1-3; |
54380 | 32 2d 32 2d 33 3b 00 02 31 37 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 | 2-2-3;..17.....15;1-1-3;2-2-3;.. |
543a0 | 00 02 73 6d 69 6c 65 73 00 21 00 00 00 43 6c 63 31 63 63 32 4f 63 33 63 63 28 43 6c 29 63 28 63 | ..smiles.!...Clc1cc2Oc3cc(Cl)c(c |
543c0 | 63 33 4f 63 32 63 63 31 43 6c 29 43 6c 00 02 69 6e 63 68 69 00 4f 00 00 00 49 6e 43 68 49 3d 31 | c3Oc2cc1Cl)Cl..inchi.O...InChI=1 |
543e0 | 53 2f 43 31 32 48 34 43 6c 34 4f 32 2f 63 31 33 2d 35 2d 31 2d 39 2d 31 30 28 32 2d 36 28 35 29 | S/C12H4Cl4O2/c13-5-1-9-10(2-6(5) |
54400 | 31 34 29 31 38 2d 31 32 2d 34 2d 38 28 31 36 29 37 28 31 35 29 33 2d 31 31 28 31 32 29 31 37 2d | 14)18-12-4-8(16)7(15)3-11(12)17- |
54420 | 39 2f 68 31 2d 34 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 39 f9 5e 46 50 01 00 00 09 63 72 65 | 9/h1-4H..updated_at.9.^FP....cre |
54440 | 61 74 65 64 5f 61 74 00 38 f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at.8.^FP....default_fingerp |
54460 | 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 19 03 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b | rint_size..........._id.V..h+r.+ |
54480 | 40 00 01 c6 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 | @....warnings.......fingerprints |
544a0 | 00 1a 02 00 00 04 4d 50 32 44 00 0f 02 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 | ......MP2D......0.....15;1-1-3;2 |
544c0 | 2d 32 2d 33 3b 00 02 31 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d | -2-3;..1.....3;1-2-3;1-1-15;2-3- |
544e0 | 33 3b 32 2d 31 2d 31 35 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 | 3;2-1-15;..2.....3;1-3-3;2-4-3;2 |
54500 | 2d 31 2d 31 35 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 34 00 | -1-15;..3.....3;1-2-3;2-3-3;..4. |
54520 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 35 00 1d 00 00 | ....3;1-2-3;2-2-3;2-1-15;..5.... |
54540 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 36 | .3;1-2-3;1-1-15;2-2-3;2-1-15;..6 |
54560 | 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 | .....3;1-2-3;1-1-15;2-2-3;2-2-15 |
54580 | 3b 00 02 37 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 10 00 00 00 | ;..7.....15;1-1-3;2-2-3;..8..... |
545a0 | 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 | 15;1-1-3;2-2-3;..9.....3;1-3-3;2 |
545c0 | 2d 34 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 | -4-3;2-1-15;..10.....3;1-2-3;2-3 |
545e0 | 2d 33 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 | -3;..11.....3;1-2-3;2-2-3;2-1-15 |
54600 | 3b 00 02 31 32 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 | ;..12.....3;1-2-3;1-1-15;2-2-3;2 |
54620 | 2d 31 2d 31 35 3b 00 02 31 33 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d | -1-15;..13.....3;1-2-3;1-1-15;2- |
54640 | 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 31 34 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 2-3;2-2-15;..14.....3;1-2-3;1-1- |
54660 | 31 35 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 35 00 10 00 00 00 31 35 3b 31 2d 31 2d | 15;2-3-3;2-1-15;..15.....15;1-1- |
54680 | 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b | 3;2-2-3;..16.....15;1-1-3;2-2-3; |
546a0 | 00 02 31 37 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c | ..17.....15;1-1-3;2-2-3;....smil |
546c0 | 65 73 00 25 00 00 00 43 6c 63 31 63 28 63 63 63 28 63 31 43 6c 29 43 6c 29 63 31 63 63 63 28 63 | es.%...Clc1c(ccc(c1Cl)Cl)c1ccc(c |
546e0 | 28 63 31 43 6c 29 43 6c 29 43 6c 00 02 69 6e 63 68 69 00 4a 00 00 00 49 6e 43 68 49 3d 31 53 2f | (c1Cl)Cl)Cl..inchi.J...InChI=1S/ |
54700 | 43 31 32 48 34 43 6c 36 2f 63 31 33 2d 37 2d 33 2d 31 2d 35 28 39 28 31 35 29 31 31 28 37 29 31 | C12H4Cl6/c13-7-3-1-5(9(15)11(7)1 |
54720 | 37 29 36 2d 32 2d 34 2d 38 28 31 34 29 31 32 28 31 38 29 31 30 28 36 29 31 36 2f 68 31 2d 34 48 | 7)6-2-4-8(14)12(18)10(6)16/h1-4H |
54740 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 40 f9 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.@.^FP....created_at |
54760 | 00 3e f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | .>.^FP....default_fingerprint_si |
54780 | 7a 65 00 00 00 00 00 00 ec 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 c7 04 77 61 | ze..........._id.V..h+r.+@....wa |
547a0 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 f4 01 00 00 04 4d | rnings.......fingerprints......M |
547c0 | 50 32 44 00 e9 01 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 | P2D......0.....15;1-1-3;2-2-3;.. |
547e0 | 31 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | 1.....3;1-2-3;1-1-15;2-2-3;2-1-1 |
54800 | 35 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 | 5;..2.....3;1-2-3;2-2-3;2-1-15;. |
54820 | 02 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 34 00 16 00 00 00 33 3b 31 | .3.....3;1-2-3;2-3-3;..4.....3;1 |
54840 | 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 35 00 1d 00 00 00 33 3b 31 2d 32 2d | -3-3;2-4-3;2-1-15;..5.....3;1-2- |
54860 | 33 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 36 00 1d 00 00 00 33 3b | 3;1-1-15;2-3-3;2-1-15;..6.....3; |
54880 | 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 37 00 10 00 | 1-2-3;1-1-15;2-2-3;2-2-15;..7... |
548a0 | 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 10 00 00 00 31 35 3b 31 2d 31 2d | ..15;1-1-3;2-2-3;..8.....15;1-1- |
548c0 | 33 3b 32 2d 32 2d 33 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d | 3;2-2-3;..9.....3;1-3-3;2-4-3;2- |
548e0 | 31 2d 31 35 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 31 | 1-15;..10.....3;1-2-3;2-3-3;..11 |
54900 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 16 00 00 00 33 3b 31 2d | .....3;1-2-3;2-2-3;..12.....3;1- |
54920 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 33 00 1d 00 00 00 33 3b 31 2d 32 2d | 2-3;2-2-3;2-1-15;..13.....3;1-2- |
54940 | 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 34 00 1d 00 00 00 33 | 3;1-1-15;2-2-3;2-1-15;..14.....3 |
54960 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 35 00 | ;1-2-3;1-1-15;2-3-3;2-1-15;..15. |
54980 | 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 10 00 00 00 31 35 3b 31 | ....15;1-1-3;2-2-3;..16.....15;1 |
549a0 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 21 00 00 00 43 6c 63 31 63 63 | -1-3;2-2-3;....smiles.!...Clc1cc |
549c0 | 63 28 63 28 63 31 43 6c 29 43 6c 29 63 31 63 63 63 63 28 63 31 43 6c 29 43 6c 00 02 69 6e 63 68 | c(c(c1Cl)Cl)c1cccc(c1Cl)Cl..inch |
549e0 | 69 00 47 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 35 43 6c 35 2f 63 31 33 2d 38 2d 33 2d | i.G...InChI=1S/C12H5Cl5/c13-8-3- |
54a00 | 31 2d 32 2d 36 28 31 30 28 38 29 31 35 29 37 2d 34 2d 35 2d 39 28 31 34 29 31 32 28 31 37 29 31 | 1-2-6(10(8)15)7-4-5-9(14)12(17)1 |
54a20 | 31 28 37 29 31 36 2f 68 31 2d 35 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 46 f9 5e 46 50 01 00 | 1(7)16/h1-5H..updated_at.F.^FP.. |
54a40 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 45 f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at.E.^FP....default_fi |
54a60 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 b4 02 00 00 07 5f 69 64 00 56 16 1c | ngerprint_size..........._id.V.. |
54a80 | 68 2b 72 ed 2b 40 00 01 c8 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | h+r.+@....warnings.......fingerp |
54aa0 | 72 69 6e 74 73 00 c0 01 00 00 04 4d 50 32 44 00 b5 01 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d | rints......MP2D......0.....15;1- |
54ac0 | 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 | 1-3;2-2-3;..1.....3;1-2-3;1-1-15 |
54ae0 | 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | ;2-2-3;..2.....3;1-2-3;2-2-3;2-1 |
54b00 | 2d 31 35 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 34 00 16 00 | -15;..3.....3;1-2-3;2-3-3;..4... |
54b20 | 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 35 00 16 00 00 00 33 | ..3;1-3-3;2-4-3;2-1-15;..5.....3 |
54b40 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d 33 3b 00 02 36 00 16 00 00 00 33 3b 31 2d | ;1-2-3;1-1-15;2-3-3;..6.....3;1- |
54b60 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 37 00 10 00 00 00 31 35 3b 31 2d 31 2d | 2-3;2-2-3;2-2-15;..7.....15;1-1- |
54b80 | 33 3b 32 2d 32 2d 33 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d | 3;2-2-3;..8.....3;1-3-3;2-4-3;2- |
54ba0 | 31 2d 31 35 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 30 00 | 1-15;..9.....3;1-2-3;2-3-3;..10. |
54bc0 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 31 00 16 00 | ....3;1-2-3;2-2-3;2-1-15;..11... |
54be0 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 31 32 00 16 00 00 00 | ..3;1-2-3;1-1-15;2-2-3;..12..... |
54c00 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 31 33 00 16 00 00 00 33 3b | 3;1-2-3;2-2-3;2-2-15;..13.....3; |
54c20 | 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d 33 3b 00 02 31 34 00 10 00 00 00 31 35 3b 31 | 1-2-3;1-1-15;2-3-3;..14.....15;1 |
54c40 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 | -1-3;2-2-3;..15.....15;1-1-3;2-2 |
54c60 | 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1f 00 00 00 43 6c 63 31 63 63 63 28 63 28 63 31 29 43 | -3;....smiles.....Clc1ccc(c(c1)C |
54c80 | 6c 29 63 31 63 63 63 28 63 63 31 43 6c 29 43 6c 00 02 69 6e 63 68 69 00 45 00 00 00 49 6e 43 68 | l)c1ccc(cc1Cl)Cl..inchi.E...InCh |
54ca0 | 49 3d 31 53 2f 43 31 32 48 36 43 6c 34 2f 63 31 33 2d 37 2d 31 2d 33 2d 39 28 31 31 28 31 35 29 | I=1S/C12H6Cl4/c13-7-1-3-9(11(15) |
54cc0 | 35 2d 37 29 31 30 2d 34 2d 32 2d 38 28 31 34 29 36 2d 31 32 28 31 30 29 31 36 2f 68 31 2d 36 48 | 5-7)10-4-2-8(14)6-12(10)16/h1-6H |
54ce0 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 4d f9 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.M.^FP....created_at |
54d00 | 00 4b f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | .K.^FP....default_fingerprint_si |
54d20 | 7a 65 00 00 00 00 00 00 1e 03 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 c9 04 77 61 | ze..........._id.V..h+r.+@....wa |
54d40 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 1d 02 00 00 04 4d | rnings.......fingerprints......M |
54d60 | 50 32 44 00 12 02 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 | P2D......0.....15;1-1-3;2-2-3;.. |
54d80 | 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 32 00 16 | 1.....3;1-2-3;1-1-15;2-2-3;..2.. |
54da0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 33 00 15 00 00 00 | ...3;1-2-3;2-2-3;2-1-15;..3..... |
54dc0 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d | 3;1-2-3;2-2-3;2-1-8;..4.....3;1- |
54de0 | 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 35 00 1c 00 00 00 33 | 2-3;1-1-8;2-3-3;2-1-15;..5.....3 |
54e00 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 16 00 | ;1-2-3;1-1-15;2-2-3;2-1-8;..6... |
54e20 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 37 00 10 00 00 00 31 | ..3;1-2-3;2-2-3;2-2-15;..7.....1 |
54e40 | 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d | 5;1-1-3;2-2-3;..8.....8;1-2-3;2- |
54e60 | 34 2d 33 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b | 4-3;..9.....3;1-2-3;1-1-8;2-3-3; |
54e80 | 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 | ..10.....3;1-2-3;2-2-3;2-1-8;..1 |
54ea0 | 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 32 00 | 1.....3;1-2-3;2-2-3;2-1-19;..12. |
54ec0 | 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 | ....3;1-2-3;1-1-19;2-2-3;2-2-9;. |
54ee0 | 02 31 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 | .13.....3;1-2-3;2-2-3;2-1-19;..1 |
54f00 | 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 35 00 16 | 4.....3;1-2-3;2-2-3;2-1-8;..15.. |
54f20 | 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 31 36 00 16 00 00 | ...19;1-1-3;1-2-9;2-2-3;..16.... |
54f40 | 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 37 00 16 00 00 00 39 | .9;1-1-19;2-1-3;2-1-9;..17.....9 |
54f60 | 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 23 | ;1-1-19;2-1-3;2-1-9;....smiles.# |
54f80 | 00 00 00 43 6c 63 31 63 63 63 28 63 28 63 31 29 43 6c 29 4f 63 31 63 63 63 28 63 63 31 29 4e 28 | ...Clc1ccc(c(c1)Cl)Oc1ccc(cc1)N( |
54fa0 | 3d 4f 29 3d 4f 00 02 69 6e 63 68 69 00 4e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 37 43 | =O)=O..inchi.N...InChI=1S/C12H7C |
54fc0 | 6c 32 4e 4f 33 2f 63 31 33 2d 38 2d 31 2d 36 2d 31 32 28 31 31 28 31 34 29 37 2d 38 29 31 38 2d | l2NO3/c13-8-1-6-12(11(14)7-8)18- |
54fe0 | 31 30 2d 34 2d 32 2d 39 28 33 2d 35 2d 31 30 29 31 35 28 31 36 29 31 37 2f 68 31 2d 37 48 00 09 | 10-4-2-9(3-5-10)15(16)17/h1-7H.. |
55000 | 75 70 64 61 74 65 64 5f 61 74 00 53 f9 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 52 | updated_at.S.^FP....created_at.R |
55020 | f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | .^FP....default_fingerprint_size |
55040 | 00 00 00 00 00 00 5d 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 ca 04 77 61 72 6e | ......]...._id.V..h+r.+@....warn |
55060 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 74 01 00 00 04 4d 50 32 | ings.......fingerprints.t....MP2 |
55080 | 44 00 69 01 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 | D.i....0.....15;1-1-3;2-2-3;..1. |
550a0 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 | ....3;1-2-3;1-1-15;2-2-3;..2.... |
550c0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 33 00 0f 00 00 00 33 3b | .3;1-2-3;2-2-3;2-1-15;..3.....3; |
550e0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d | 1-2-3;2-2-3;..4.....3;1-2-3;2-3- |
55100 | 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 36 00 16 00 00 00 | 3;..5.....3;1-3-3;2-4-3;..6..... |
55120 | 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 37 00 0f 00 00 00 33 3b 31 | 3;1-2-3;2-3-3;2-1-15;..7.....3;1 |
55140 | 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 | -3-3;2-4-3;..8.....3;1-2-3;2-3-3 |
55160 | 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 16 00 00 00 | ;..9.....3;1-2-3;2-2-3;..10..... |
55180 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 31 00 16 00 00 00 33 3b | 3;1-2-3;2-2-3;2-1-15;..11.....3; |
551a0 | 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 31 32 00 16 00 00 00 33 3b 31 2d | 1-2-3;1-1-15;2-2-3;..12.....3;1- |
551c0 | 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 33 00 10 00 00 00 31 35 3b 31 2d 31 | 2-3;2-3-3;2-1-15;..13.....15;1-1 |
551e0 | 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 43 6c 63 31 63 63 63 63 | -3;2-2-3;....smiles.....Clc1cccc |
55200 | 28 63 31 29 63 31 63 63 63 63 28 63 31 29 43 6c 00 02 69 6e 63 68 69 00 40 00 00 00 49 6e 43 68 | (c1)c1cccc(c1)Cl..inchi.@...InCh |
55220 | 49 3d 31 53 2f 43 31 32 48 38 43 6c 32 2f 63 31 33 2d 31 31 2d 35 2d 31 2d 33 2d 39 28 37 2d 31 | I=1S/C12H8Cl2/c13-11-5-1-3-9(7-1 |
55240 | 31 29 31 30 2d 34 2d 32 2d 36 2d 31 32 28 31 34 29 38 2d 31 30 2f 68 31 2d 38 48 00 09 75 70 64 | 1)10-4-2-6-12(14)8-10/h1-8H..upd |
55260 | 61 74 65 64 5f 61 74 00 61 f9 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 60 f9 5e 46 | ated_at.a.^FP....created_at.`.^F |
55280 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
552a0 | 00 00 00 f2 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 cb 04 77 61 72 6e 69 6e 67 | ........_id.V..h+r.+@....warning |
552c0 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 eb 01 00 00 04 4d 50 32 44 00 e0 | s.......fingerprints......MP2D.. |
552e0 | 01 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 | ....0.....9;1-1-19;2-1-3;2-1-9;. |
55300 | 02 31 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 32 00 | .1.....19;1-1-3;1-2-9;2-2-3;..2. |
55320 | 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 1c 00 00 | ....9;1-1-19;2-1-3;2-1-9;..3.... |
55340 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 33 2d 33 3b 32 2d 32 2d 39 3b 00 02 34 00 | .3;1-2-3;1-1-19;2-3-3;2-2-9;..4. |
55360 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 35 00 0f 00 00 | ....3;1-2-3;2-2-3;2-1-19;..5.... |
55380 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 | .3;1-2-3;2-3-3;..6.....3;1-3-3;2 |
553a0 | 2d 34 2d 33 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 36 2d 33 3b 00 02 38 00 16 | -4-3;..7.....3;1-3-3;2-6-3;..8.. |
553c0 | 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 39 00 0f 00 00 00 | ...3;1-3-3;2-4-3;2-1-19;..9..... |
553e0 | 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-2-3;2-3-3;..10.....3;1-2-3;2 |
55400 | 2d 33 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 32 | -3-3;..11.....3;1-3-3;2-4-3;..12 |
55420 | 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 36 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d | .....3;1-3-3;2-6-3;..13.....3;1- |
55440 | 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 | 3-3;2-4-3;..14.....3;1-2-3;2-3-3 |
55460 | 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 36 00 0f 00 00 | ;..15.....3;1-2-3;2-3-3;..16.... |
55480 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b | .3;1-2-3;2-3-3;..17.....3;1-2-3; |
554a0 | 32 2d 32 2d 33 3b 00 02 31 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 00 00 | 2-2-3;..18.....3;1-2-3;2-3-3;... |
554c0 | 02 73 6d 69 6c 65 73 00 22 00 00 00 4f 3d 4e 28 3d 4f 29 63 31 63 63 63 32 63 33 63 31 63 63 63 | .smiles."...O=N(=O)c1ccc2c3c1ccc |
554e0 | 31 63 33 63 28 63 63 32 29 63 63 63 31 00 02 69 6e 63 68 69 00 55 00 00 00 49 6e 43 68 49 3d 31 | 1c3c(cc2)ccc1..inchi.U...InChI=1 |
55500 | 53 2f 43 31 36 48 39 4e 4f 32 2f 63 31 38 2d 31 37 28 31 39 29 31 34 2d 39 2d 37 2d 31 32 2d 35 | S/C16H9NO2/c18-17(19)14-9-7-12-5 |
55520 | 2d 34 2d 31 30 2d 32 2d 31 2d 33 2d 31 31 2d 36 2d 38 2d 31 33 28 31 34 29 31 36 28 31 32 29 31 | -4-10-2-1-3-11-6-8-13(14)16(12)1 |
55540 | 35 28 31 30 29 31 31 2f 68 31 2d 39 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 69 f9 5e 46 50 01 | 5(10)11/h1-9H..updated_at.i.^FP. |
55560 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 67 f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at.g.^FP....default_f |
55580 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 de 02 00 00 07 5f 69 64 00 56 16 | ingerprint_size..........._id.V. |
555a0 | 1c 68 2b 72 ed 2b 40 00 01 cc 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | .h+r.+@....warnings.......finger |
555c0 | 70 72 69 6e 74 73 00 d2 01 00 00 04 4d 50 32 44 00 c7 01 00 00 02 30 00 0f 00 00 00 33 3b 31 2d | prints......MP2D......0.....3;1- |
555e0 | 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | 2-3;2-2-3;..1.....3;1-2-3;2-2-3; |
55600 | 00 02 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 33 00 0f 00 00 00 33 3b | ..2.....3;1-2-3;2-3-3;..3.....3; |
55620 | 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 35 2d | 1-3-3;2-4-3;..4.....3;1-3-3;2-5- |
55640 | 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 36 00 0f 00 00 00 | 3;..5.....3;1-2-3;2-3-3;..6..... |
55660 | 33 3b 31 2d 33 2d 33 3b 32 2d 35 2d 33 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 3;1-3-3;2-5-3;..7.....3;1-2-3;2- |
55680 | 33 2d 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 39 00 0f 00 | 3-3;..8.....3;1-2-3;2-3-3;..9... |
556a0 | 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 33 2d 33 | ..3;1-3-3;2-4-3;..10.....3;1-3-3 |
556c0 | 3b 32 2d 36 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 36 2d 33 3b 00 02 | ;2-6-3;..11.....3;1-3-3;2-6-3;.. |
556e0 | 31 32 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b | 12.....3;1-3-3;2-4-3;..13.....3; |
55700 | 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 | 1-2-3;2-4-3;..14.....3;1-2-3;2-3 |
55720 | 2d 33 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 36 00 0f | -3;..15.....3;1-2-3;2-3-3;..16.. |
55740 | 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 37 00 0f 00 00 00 33 3b 31 2d 32 2d | ...3;1-3-3;2-4-3;..17.....3;1-2- |
55760 | 33 3b 32 2d 33 2d 33 3b 00 02 31 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | 3;2-3-3;..18.....3;1-2-3;2-2-3;. |
55780 | 02 31 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 | .19.....3;1-2-3;2-3-3;....smiles |
557a0 | 00 23 00 00 00 63 31 63 63 63 32 63 28 63 31 29 63 31 63 63 63 33 63 34 63 31 63 28 63 32 29 63 | .#...c1ccc2c(c1)c1ccc3c4c1c(c2)c |
557c0 | 63 63 34 63 63 63 33 00 02 69 6e 63 68 69 00 59 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 30 48 | cc4ccc3..inchi.Y...InChI=1S/C20H |
557e0 | 31 32 2f 63 31 2d 32 2d 37 2d 31 37 2d 31 35 28 34 2d 31 29 31 32 2d 31 36 2d 39 2d 38 2d 31 33 | 12/c1-2-7-17-15(4-1)12-16-9-8-13 |
55800 | 2d 35 2d 33 2d 36 2d 31 34 2d 31 30 2d 31 31 2d 31 38 28 31 37 29 32 30 28 31 36 29 31 39 28 31 | -5-3-6-14-10-11-18(17)20(16)19(1 |
55820 | 33 29 31 34 2f 68 31 2d 31 32 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 70 f9 5e 46 50 01 00 00 | 3)14/h1-12H..updated_at.p.^FP... |
55840 | 09 63 72 65 61 74 65 64 5f 61 74 00 6f f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.o.^FP....default_fin |
55860 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 2a 01 00 00 07 5f 69 64 00 56 16 1c 68 | gerprint_size......*...._id.V..h |
55880 | 2b 72 ed 2b 40 00 01 cd 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.+@....warnings.......fingerpr |
558a0 | 69 6e 74 73 00 7a 00 00 00 04 4d 50 32 44 00 6f 00 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 | ints.z....MP2D.o....0.....15;1-1 |
558c0 | 2d 34 3b 32 2d 31 2d 34 3b 00 02 31 00 17 00 00 00 34 3b 31 2d 31 2d 34 3b 31 2d 31 2d 31 35 3b | -4;2-1-4;..1.....4;1-1-4;1-1-15; |
558e0 | 32 2d 31 2d 31 35 3b 00 02 32 00 17 00 00 00 34 3b 31 2d 31 2d 34 3b 31 2d 31 2d 31 35 3b 32 2d | 2-1-15;..2.....4;1-1-4;1-1-15;2- |
55900 | 31 2d 31 35 3b 00 02 33 00 10 00 00 00 31 35 3b 31 2d 31 2d 34 3b 32 2d 31 2d 34 3b 00 00 00 02 | 1-15;..3.....15;1-1-4;2-1-4;.... |
55920 | 73 6d 69 6c 65 73 00 08 00 00 00 43 6c 43 23 43 43 6c 00 02 69 6e 63 68 69 00 18 00 00 00 49 6e | smiles.....ClC#CCl..inchi.....In |
55940 | 43 68 49 3d 31 53 2f 43 32 43 6c 32 2f 63 33 2d 31 2d 32 2d 34 00 09 75 70 64 61 74 65 64 5f 61 | ChI=1S/C2Cl2/c3-1-2-4..updated_a |
55960 | 74 00 75 f9 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 74 f9 5e 46 50 01 00 00 10 64 | t.u.^FP....created_at.t.^FP....d |
55980 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 80 01 00 | efault_fingerprint_size......... |
559a0 | 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 ce 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V..h+r.+@....warnings..... |
559c0 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c4 00 00 00 04 4d 50 32 44 00 b9 00 00 00 02 30 00 | ..fingerprints......MP2D......0. |
559e0 | 17 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 31 00 17 00 | ....15;1-1-2;2-1-2;2-1-15;..1... |
55a00 | 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 32 2d 31 35 3b 32 2d 32 2d 31 35 3b 00 02 32 00 17 00 00 00 | ..2;1-1-2;1-2-15;2-2-15;..2..... |
55a20 | 32 3b 31 2d 31 2d 32 3b 31 2d 32 2d 31 35 3b 32 2d 32 2d 31 35 3b 00 02 33 00 17 00 00 00 31 35 | 2;1-1-2;1-2-15;2-2-15;..3.....15 |
55a40 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 34 00 17 00 00 00 31 35 3b 31 | ;1-1-2;2-1-2;2-1-15;..4.....15;1 |
55a60 | 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 35 00 17 00 00 00 31 35 3b 31 2d 31 | -1-2;2-1-2;2-1-15;..5.....15;1-1 |
55a80 | 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 10 00 00 00 43 | -2;2-1-2;2-1-15;....smiles.....C |
55aa0 | 6c 43 28 3d 43 28 43 6c 29 43 6c 29 43 6c 00 02 69 6e 63 68 69 00 1c 00 00 00 49 6e 43 68 49 3d | lC(=C(Cl)Cl)Cl..inchi.....InChI= |
55ac0 | 31 53 2f 43 32 43 6c 34 2f 63 33 2d 31 28 34 29 32 28 35 29 36 00 09 75 70 64 61 74 65 64 5f 61 | 1S/C2Cl4/c3-1(4)2(5)6..updated_a |
55ae0 | 74 00 7b f9 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 79 f9 5e 46 50 01 00 00 10 64 | t.{.^FP....created_at.y.^FP....d |
55b00 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 7b 01 00 | efault_fingerprint_size......{.. |
55b20 | 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 cf 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V..h+r.+@....warnings..... |
55b40 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c4 00 00 00 04 4d 50 32 44 00 b9 00 00 00 02 30 00 | ..fingerprints......MP2D......0. |
55b60 | 17 00 00 00 31 36 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 36 3b 00 02 31 00 17 00 | ....16;1-1-2;2-1-2;2-1-16;..1... |
55b80 | 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 32 2d 31 36 3b 32 2d 32 2d 31 36 3b 00 02 32 00 17 00 00 00 | ..2;1-1-2;1-2-16;2-2-16;..2..... |
55ba0 | 32 3b 31 2d 31 2d 32 3b 31 2d 32 2d 31 36 3b 32 2d 32 2d 31 36 3b 00 02 33 00 17 00 00 00 31 36 | 2;1-1-2;1-2-16;2-2-16;..3.....16 |
55bc0 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 36 3b 00 02 34 00 17 00 00 00 31 36 3b 31 | ;1-1-2;2-1-2;2-1-16;..4.....16;1 |
55be0 | 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 36 3b 00 02 35 00 17 00 00 00 31 36 3b 31 2d 31 | -1-2;2-1-2;2-1-16;..5.....16;1-1 |
55c00 | 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 0c 00 00 00 46 | -2;2-1-2;2-1-16;....smiles.....F |
55c20 | 43 28 3d 43 28 46 29 46 29 46 00 02 69 6e 63 68 69 00 1b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | C(=C(F)F)F..inchi.....InChI=1S/C |
55c40 | 32 46 34 2f 63 33 2d 31 28 34 29 32 28 35 29 36 00 09 75 70 64 61 74 65 64 5f 61 74 00 80 f9 5e | 2F4/c3-1(4)2(5)6..updated_at...^ |
55c60 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 7f f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at...^FP....defaul |
55c80 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 88 01 00 00 07 5f 69 64 | t_fingerprint_size..........._id |
55ca0 | 00 56 16 1c 68 2b 72 ed 2b 40 00 01 d0 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..h+r.+@....warnings.......fin |
55cc0 | 67 65 72 70 72 69 6e 74 73 00 ca 00 00 00 04 4d 50 32 44 00 bf 00 00 00 02 30 00 16 00 00 00 31 | gerprints......MP2D......0.....1 |
55ce0 | 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 34 3b 32 2d 31 2d 36 3b 00 02 31 00 22 00 00 00 31 39 3b 31 | ;1-1-19;2-1-4;2-1-6;..1."...19;1 |
55d00 | 2d 31 2d 31 3b 31 2d 31 2d 34 3b 31 2d 31 2d 36 3b 32 2d 31 2d 37 3b 32 2d 31 2d 39 3b 00 02 32 | -1-1;1-1-4;1-1-6;2-1-7;2-1-9;..2 |
55d20 | 00 1c 00 00 00 34 3b 31 2d 31 2d 37 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b | .....4;1-1-7;1-1-19;2-1-1;2-1-6; |
55d40 | 00 02 33 00 10 00 00 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 2d 31 39 3b 00 02 34 00 1c 00 00 00 36 | ..3.....7;1-1-4;2-1-19;..4.....6 |
55d60 | 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 34 3b 00 02 35 00 10 00 | ;1-1-9;1-1-19;2-1-1;2-1-4;..5... |
55d80 | 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 0b 00 00 00 | ..9;1-1-6;2-1-19;....smiles..... |
55da0 | 43 4e 28 43 23 4e 29 4e 3d 4f 00 02 69 6e 63 68 69 00 23 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | CN(C#N)N=O..inchi.#...InChI=1S/C |
55dc0 | 32 48 33 4e 33 4f 2f 63 31 2d 35 28 32 2d 33 29 34 2d 36 2f 68 31 48 33 00 09 75 70 64 61 74 65 | 2H3N3O/c1-5(2-3)4-6/h1H3..update |
55de0 | 64 5f 61 74 00 85 f9 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 84 f9 5e 46 50 01 00 | d_at...^FP....created_at...^FP.. |
55e00 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 | ..default_fingerprint_size...... |
55e20 | 32 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 d1 04 77 61 72 6e 69 6e 67 73 00 05 | 2...._id.V..h+r.+@....warnings.. |
55e40 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 7a 00 00 00 04 4d 50 32 44 00 6f 00 00 00 | .....fingerprints.z....MP2D.o... |
55e60 | 02 30 00 10 00 00 00 31 34 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 17 00 00 00 31 3b | .0.....14;1-1-1;2-1-1;..1.....1; |
55e80 | 31 2d 31 2d 31 3b 31 2d 31 2d 31 34 3b 32 2d 31 2d 31 34 3b 00 02 32 00 17 00 00 00 31 3b 31 2d | 1-1-1;1-1-14;2-1-14;..2.....1;1- |
55ea0 | 31 2d 31 3b 31 2d 31 2d 31 34 3b 32 2d 31 2d 31 34 3b 00 02 33 00 10 00 00 00 31 34 3b 31 2d 31 | 1-1;1-1-14;2-1-14;..3.....14;1-1 |
55ec0 | 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 07 00 00 00 42 72 43 43 42 72 00 02 | -1;2-1-1;....smiles.....BrCCBr.. |
55ee0 | 69 6e 63 68 69 00 21 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 34 42 72 32 2f 63 33 2d 31 2d | inchi.!...InChI=1S/C2H4Br2/c3-1- |
55f00 | 32 2d 34 2f 68 31 2d 32 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 8b f9 5e 46 50 01 00 00 09 | 2-4/h1-2H2..updated_at...^FP.... |
55f20 | 63 72 65 61 74 65 64 5f 61 74 00 89 f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at...^FP....default_fing |
55f40 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 32 01 00 00 07 5f 69 64 00 56 16 1c 68 2b | erprint_size......2...._id.V..h+ |
55f60 | 72 ed 2b 40 00 01 d2 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.+@....warnings.......fingerpri |
55f80 | 6e 74 73 00 7a 00 00 00 04 4d 50 32 44 00 6f 00 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d | nts.z....MP2D.o....0.....15;1-1- |
55fa0 | 31 3b 32 2d 31 2d 31 3b 00 02 31 00 17 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 | 1;2-1-1;..1.....1;1-1-1;1-1-15;2 |
55fc0 | 2d 31 2d 31 35 3b 00 02 32 00 17 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 | -1-15;..2.....1;1-1-1;1-1-15;2-1 |
55fe0 | 2d 31 35 3b 00 02 33 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 02 73 | -15;..3.....15;1-1-1;2-1-1;....s |
56000 | 6d 69 6c 65 73 00 07 00 00 00 43 6c 43 43 43 6c 00 02 69 6e 63 68 69 00 21 00 00 00 49 6e 43 68 | miles.....ClCCCl..inchi.!...InCh |
56020 | 49 3d 31 53 2f 43 32 48 34 43 6c 32 2f 63 33 2d 31 2d 32 2d 34 2f 68 31 2d 32 48 32 00 09 75 70 | I=1S/C2H4Cl2/c3-1-2-4/h1-2H2..up |
56040 | 64 61 74 65 64 5f 61 74 00 90 f9 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 8f f9 5e | dated_at...^FP....created_at...^ |
56060 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
56080 | 00 00 00 00 4b 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 d3 04 77 61 72 6e 69 6e | ....K...._id.V..h+r.+@....warnin |
560a0 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 8f 00 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
560c0 | 84 00 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 16 00 | .....0.....15;1-1-1;2-1-8;..1... |
560e0 | 00 00 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 00 02 32 00 10 00 00 00 38 | ..1;1-1-8;1-1-15;2-1-1;..2.....8 |
56100 | 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 33 00 16 00 00 00 31 3b 31 2d 31 2d 38 3b 31 2d | ;1-2-1;2-2-15;..3.....1;1-1-8;1- |
56120 | 31 2d 31 35 3b 32 2d 31 2d 31 3b 00 02 34 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d | 1-15;2-1-1;..4.....15;1-1-1;2-1- |
56140 | 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 08 00 00 00 43 6c 43 4f 43 43 6c 00 02 69 6e 63 68 69 00 | 8;....smiles.....ClCOCCl..inchi. |
56160 | 24 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 34 43 6c 32 4f 2f 63 33 2d 31 2d 35 2d 32 2d 34 | $...InChI=1S/C2H4Cl2O/c3-1-5-2-4 |
56180 | 2f 68 31 2d 32 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 96 f9 5e 46 50 01 00 00 09 63 72 65 | /h1-2H2..updated_at...^FP....cre |
561a0 | 61 74 65 64 5f 61 74 00 94 f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at...^FP....default_fingerp |
561c0 | 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 1f 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b | rint_size..........._id.V..h+r.+ |
561e0 | 40 00 01 d4 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 | @....warnings.......fingerprints |
56200 | 00 6a 00 00 00 04 4d 50 32 44 00 5f 00 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d | .j....MP2D._....0.....8;1-2-1;2- |
56220 | 32 2d 31 3b 00 02 31 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b | 2-1;..1.....1;1-1-1;1-1-8;2-1-1; |
56240 | 32 2d 31 2d 38 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d | 2-1-8;..2.....1;1-1-1;1-1-8;2-1- |
56260 | 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 06 00 00 00 4f 31 43 43 31 00 02 69 6e | 1;2-1-8;....smiles.....O1CC1..in |
56280 | 63 68 69 00 1f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 34 4f 2f 63 31 2d 32 2d 33 2d 31 2f | chi.....InChI=1S/C2H4O/c1-2-3-1/ |
562a0 | 68 31 2d 32 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 9b f9 5e 46 50 01 00 00 09 63 72 65 61 | h1-2H2..updated_at...^FP....crea |
562c0 | 74 65 64 5f 61 74 00 9a f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at...^FP....default_fingerpr |
562e0 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 5f 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 | int_size......_...._id.V..h+r.+@ |
56300 | 00 01 d5 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 | ....warnings.......fingerprints. |
56320 | a2 00 00 00 04 4d 50 32 44 00 97 00 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 36 3b 32 2d 31 | .....MP2D......0.....1;1-1-6;2-1 |
56340 | 2d 36 3b 00 02 31 00 1b 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 | -6;..1.....6;1-1-1;1-1-6;2-1-1;2 |
56360 | 2d 31 2d 39 3b 00 02 32 00 1b 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 | -1-9;..2.....6;1-1-1;1-1-6;1-1-9 |
56380 | 3b 32 2d 31 2d 31 3b 00 02 33 00 15 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 | ;2-1-1;..3.....9;1-1-6;2-1-1;2-1 |
563a0 | 2d 36 3b 00 02 34 00 15 00 00 00 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 | -6;..4.....1;1-1-6;2-1-6;2-1-9;. |
563c0 | 00 00 02 73 6d 69 6c 65 73 00 0a 00 00 00 43 4e 3d 4e 28 3d 4f 29 43 00 02 69 6e 63 68 69 00 23 | ...smiles.....CN=N(=O)C..inchi.# |
563e0 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 36 4e 32 4f 2f 63 31 2d 33 2d 34 28 32 29 35 2f 68 | ...InChI=1S/C2H6N2O/c1-3-4(2)5/h |
56400 | 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 a0 f9 5e 46 50 01 00 00 09 63 72 65 61 74 | 1-2H3..updated_at...^FP....creat |
56420 | 65 64 5f 61 74 00 9f f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at...^FP....default_fingerpri |
56440 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 57 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 | nt_size......W...._id.V..h+r.+@. |
56460 | 01 d6 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 9b | ...warnings.......fingerprints.. |
56480 | 00 00 00 04 4d 50 32 44 00 90 00 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d | ....MP2D......0.....9;1-1-6;2-1- |
564a0 | 31 39 3b 00 02 31 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b | 19;..1.....6;1-1-9;1-1-19;2-2-1; |
564c0 | 00 02 32 00 16 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 33 | ..2.....19;1-2-1;1-1-6;2-1-9;..3 |
564e0 | 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 34 00 16 00 | .....1;1-1-19;2-1-1;2-1-6;..4... |
56500 | 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 | ..1;1-1-19;2-1-1;2-1-6;....smile |
56520 | 73 00 09 00 00 00 4f 3d 4e 4e 28 43 29 43 00 02 69 6e 63 68 69 00 23 00 00 00 49 6e 43 68 49 3d | s.....O=NN(C)C..inchi.#...InChI= |
56540 | 31 53 2f 43 32 48 36 4e 32 4f 2f 63 31 2d 34 28 32 29 33 2d 35 2f 68 31 2d 32 48 33 00 09 75 70 | 1S/C2H6N2O/c1-4(2)3-5/h1-2H3..up |
56560 | 64 61 74 65 64 5f 61 74 00 a6 f9 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a4 f9 5e | dated_at...^FP....created_at...^ |
56580 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
565a0 | 00 00 00 00 87 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 d7 04 77 61 72 6e 69 6e | ........._id.V..h+r.+@....warnin |
565c0 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c4 00 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
565e0 | b9 00 00 00 02 30 00 17 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 | .....0.....1;1-1-19;2-1-1;2-1-19 |
56600 | 3b 00 02 31 00 17 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 39 3b 00 | ;..1.....19;1-2-1;1-1-19;2-2-9;. |
56620 | 02 32 00 17 00 00 00 31 39 3b 31 2d 32 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 33 | .2.....19;1-2-9;1-1-19;2-2-1;..3 |
56640 | 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 34 00 17 | .....9;1-1-19;2-1-9;2-1-19;..4.. |
56660 | 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 35 00 17 00 00 | ...9;1-1-19;2-1-9;2-1-19;..5.... |
56680 | 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 | .1;1-1-19;2-1-1;2-1-19;....smile |
566a0 | 73 00 0d 00 00 00 43 4e 28 4e 28 3d 4f 29 3d 4f 29 43 00 02 69 6e 63 68 69 00 26 00 00 00 49 6e | s.....CN(N(=O)=O)C..inchi.&...In |
566c0 | 43 68 49 3d 31 53 2f 43 32 48 36 4e 32 4f 32 2f 63 31 2d 33 28 32 29 34 28 35 29 36 2f 68 31 2d | ChI=1S/C2H6N2O2/c1-3(2)4(5)6/h1- |
566e0 | 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 ab f9 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 | 2H3..updated_at...^FP....created |
56700 | 5f 61 74 00 aa f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...^FP....default_fingerprint |
56720 | 5f 73 69 7a 65 00 00 00 00 00 00 7e 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 d8 | _size......~...._id.V..h+r.+@... |
56740 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b8 00 00 | .warnings.......fingerprints.... |
56760 | 00 04 4d 50 32 44 00 ad 00 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 | ..MP2D......0.....1;1-1-8;2-1-12 |
56780 | 3b 00 02 31 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 38 3b 32 2d | ;..1.....8;1-1-1;1-1-12;2-1-8;2- |
567a0 | 31 2d 39 3b 00 02 32 00 16 00 00 00 31 32 3b 31 2d 32 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 | 1-9;..2.....12;1-2-8;1-1-9;2-2-1 |
567c0 | 3b 00 02 33 00 10 00 00 00 39 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 00 02 34 00 1c 00 00 00 | ;..3.....9;1-1-12;2-2-8;..4..... |
567e0 | 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 00 10 | 8;1-1-1;1-1-12;2-1-8;2-1-9;..5.. |
56800 | 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 0d 00 00 | ...1;1-1-8;2-1-12;....smiles.... |
56820 | 00 43 4f 5b 50 2b 5d 28 3d 4f 29 4f 43 00 02 69 6e 63 68 69 00 29 00 00 00 49 6e 43 68 49 3d 31 | .CO[P+](=O)OC..inchi.)...InChI=1 |
56840 | 53 2f 43 32 48 36 4f 33 50 2f 63 31 2d 34 2d 36 28 33 29 35 2d 32 2f 68 31 2d 32 48 33 2f 71 2b | S/C2H6O3P/c1-4-6(3)5-2/h1-2H3/q+ |
56860 | 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 b1 f9 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | 1..updated_at...^FP....created_a |
56880 | 74 00 b0 f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t...^FP....default_fingerprint_s |
568a0 | 69 7a 65 00 00 00 00 00 00 fd 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 d9 04 77 | ize..........._id.V..h+r.+@....w |
568c0 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 34 01 00 00 04 | arnings.......fingerprints.4.... |
568e0 | 4d 50 32 44 00 29 01 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 38 3b 00 | MP2D.)....0.....9;1-1-6;2-1-28;. |
56900 | 02 31 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d | .1.....6;1-1-9;1-1-28;2-1-1;2-1- |
56920 | 32 3b 00 02 32 00 28 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 | 2;..2.(...28;1-1-1;1-1-2;1-1-6;2 |
56940 | 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 33 00 22 00 00 00 31 3b 31 2d 31 2d 31 | -1-1;2-1-8;2-2-9;..3."...1;1-1-1 |
56960 | 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 34 00 1c 00 | ;1-1-28;2-1-2;2-1-6;2-1-8;..4... |
56980 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 02 35 | ..1;1-1-1;1-1-8;2-1-2;2-1-28;..5 |
569a0 | 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 | ."...8;1-1-1;1-1-2;2-1-1;2-1-9;2 |
569c0 | 2d 31 2d 32 38 3b 00 02 36 00 22 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d | -1-28;..6."...2;1-1-8;1-1-9;1-1- |
569e0 | 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 37 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 | 28;2-2-1;2-1-6;..7.....9;1-1-2;2 |
56a00 | 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 0d 00 00 00 4f 3d 4e 4e 31 | -1-8;2-1-28;....smiles.....O=NN1 |
56a20 | 43 43 4f 43 31 3d 4f 00 02 69 6e 63 68 69 00 2c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 48 34 | CCOC1=O..inchi.,...InChI=1S/C3H4 |
56a40 | 4e 32 4f 33 2f 63 36 2d 33 2d 35 28 34 2d 37 29 31 2d 32 2d 38 2d 33 2f 68 31 2d 32 48 32 00 09 | N2O3/c6-3-5(4-7)1-2-8-3/h1-2H2.. |
56a60 | 75 70 64 61 74 65 64 5f 61 74 00 b7 f9 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 b5 | updated_at...^FP....created_at.. |
56a80 | f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | .^FP....default_fingerprint_size |
56aa0 | 00 00 00 00 00 00 43 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 da 04 77 61 72 6e | ......C...._id.V..h+r.+@....warn |
56ac0 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 8a 00 00 00 04 4d 50 32 | ings.......fingerprints......MP2 |
56ae0 | 44 00 7f 00 00 00 02 30 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 02 31 00 15 | D......0.....9;1-1-2;2-1-2;..1.. |
56b00 | 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 00 02 32 00 0f 00 00 00 32 | ...2;1-1-2;1-1-9;2-1-2;..2.....2 |
56b20 | 3b 31 2d 32 2d 32 3b 32 2d 32 2d 39 3b 00 02 33 00 15 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 | ;1-2-2;2-2-9;..3.....2;1-1-2;1-1 |
56b40 | 2d 39 3b 32 2d 31 2d 32 3b 00 02 34 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 | -9;2-1-2;..4.....9;1-1-2;2-1-2;. |
56b60 | 00 00 02 73 6d 69 6c 65 73 00 08 00 00 00 4f 43 3d 43 43 3d 4f 00 02 69 6e 63 68 69 00 21 00 00 | ...smiles.....OC=CC=O..inchi.!.. |
56b80 | 00 49 6e 43 68 49 3d 31 53 2f 43 33 48 34 4f 32 2f 63 34 2d 32 2d 31 2d 33 2d 35 2f 68 31 2d 34 | .InChI=1S/C3H4O2/c4-2-1-3-5/h1-4 |
56ba0 | 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 bc f9 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | H..updated_at...^FP....created_a |
56bc0 | 74 00 ba f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t...^FP....default_fingerprint_s |
56be0 | 69 7a 65 00 00 00 00 00 00 6b 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 db 04 77 | ize......k...._id.V..h+r.+@....w |
56c00 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ae 00 00 00 04 | arnings.......fingerprints...... |
56c20 | 4d 50 32 44 00 a3 00 00 00 02 30 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d | MP2D......0.....1;1-1-1;1-1-2;2- |
56c40 | 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b | 2-8;2-1-9;..1.....1;1-1-1;1-1-8; |
56c60 | 32 2d 32 2d 32 3b 00 02 32 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d | 2-2-2;..2.....8;1-1-1;1-1-2;2-2- |
56c80 | 31 3b 32 2d 31 2d 39 3b 00 02 33 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d | 1;2-1-9;..3.....2;1-1-1;1-1-8;1- |
56ca0 | 31 2d 39 3b 32 2d 32 2d 31 3b 00 02 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b | 1-9;2-2-1;..4.....9;1-1-2;2-1-1; |
56cc0 | 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 09 00 00 00 43 31 43 4f 43 31 3d 4f 00 02 69 | 2-1-8;....smiles.....C1COC1=O..i |
56ce0 | 6e 63 68 69 00 24 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 48 34 4f 32 2f 63 34 2d 33 2d 31 2d | nchi.$...InChI=1S/C3H4O2/c4-3-1- |
56d00 | 32 2d 35 2d 33 2f 68 31 2d 32 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 c1 f9 5e 46 50 01 00 | 2-5-3/h1-2H2..updated_at...^FP.. |
56d20 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 c0 f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at...^FP....default_fi |
56d40 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 cc 01 00 00 07 5f 69 64 00 56 16 1c | ngerprint_size..........._id.V.. |
56d60 | 68 2b 72 ed 2b 40 00 01 dc 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | h+r.+@....warnings.......fingerp |
56d80 | 72 69 6e 74 73 00 05 01 00 00 04 4d 50 32 44 00 fa 00 00 00 02 30 00 1c 00 00 00 39 3b 31 2d 31 | rints......MP2D......0.....9;1-1 |
56da0 | 2d 33 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 00 1c 00 00 00 33 30 | -30;2-1-1;2-1-8;2-1-9;..1.....30 |
56dc0 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 31 3b 00 02 32 00 1c 00 00 | ;1-1-1;1-1-8;1-2-9;2-2-1;..2.... |
56de0 | 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 33 00 | .9;1-1-30;2-1-1;2-1-8;2-1-9;..3. |
56e00 | 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 | "...1;1-1-1;1-1-30;2-1-1;2-1-8;2 |
56e20 | 2d 32 2d 39 3b 00 02 34 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 33 | -2-9;..4.....1;1-2-1;2-1-8;2-1-3 |
56e40 | 30 3b 00 02 35 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d | 0;..5.....1;1-1-1;1-1-8;2-1-1;2- |
56e60 | 31 2d 33 30 3b 00 02 36 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 30 3b 32 2d 32 2d | 1-30;..6.....8;1-1-1;1-1-30;2-2- |
56e80 | 31 3b 32 2d 32 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 0e 00 00 00 4f 3d 53 31 28 3d 4f 29 43 | 1;2-2-9;....smiles.....O=S1(=O)C |
56ea0 | 43 43 4f 31 00 02 69 6e 63 68 69 00 29 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 48 36 4f 33 53 | CCO1..inchi.)...InChI=1S/C3H6O3S |
56ec0 | 2f 63 34 2d 37 28 35 29 33 2d 31 2d 32 2d 36 2d 37 2f 68 31 2d 33 48 32 00 09 75 70 64 61 74 65 | /c4-7(5)3-1-2-6-7/h1-3H2..update |
56ee0 | 64 5f 61 74 00 c7 f9 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c5 f9 5e 46 50 01 00 | d_at...^FP....created_at...^FP.. |
56f00 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 | ..default_fingerprint_size...... |
56f20 | 50 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 dd 04 77 61 72 6e 69 6e 67 73 00 05 | P...._id.V..h+r.+@....warnings.. |
56f40 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 96 00 00 00 04 4d 50 32 44 00 8b 00 00 00 | .....fingerprints......MP2D..... |
56f60 | 02 30 00 15 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 00 02 31 00 15 | .0.....3;1-1-3;1-1-9;2-2-3;..1.. |
56f80 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 00 15 00 00 00 33 | ...3;1-2-3;2-1-3;2-1-9;..2.....3 |
56fa0 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 31 | ;1-2-3;2-1-3;2-1-9;..3.....3;1-1 |
56fc0 | 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 00 02 34 00 0f 00 00 00 39 3b 31 2d 32 2d 33 3b 32 | -3;1-1-9;2-2-3;..4.....9;1-2-3;2 |
56fe0 | 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 08 00 00 00 63 31 63 63 63 6f 31 00 02 69 6e 63 | -2-3;....smiles.....c1ccco1..inc |
57000 | 68 69 00 22 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 34 4f 2f 63 31 2d 32 2d 34 2d 35 2d 33 | hi."...InChI=1S/C4H4O/c1-2-4-5-3 |
57020 | 2d 31 2f 68 31 2d 34 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 cc f9 5e 46 50 01 00 00 09 63 72 | -1/h1-4H..updated_at...^FP....cr |
57040 | 65 61 74 65 64 5f 61 74 00 cb f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at...^FP....default_finger |
57060 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 ab 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed | print_size..........._id.V..h+r. |
57080 | 2b 40 00 01 de 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | +@....warnings.......fingerprint |
570a0 | 73 00 e7 00 00 00 04 4d 50 32 44 00 dc 00 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 | s......MP2D......0.....9;1-1-6;2 |
570c0 | 2d 31 2d 31 39 3b 00 02 31 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 | -1-19;..1.....6;1-1-9;1-1-19;2-2 |
570e0 | 2d 31 3b 00 02 32 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 3b | -1;..2.....19;1-2-1;1-1-6;2-2-1; |
57100 | 32 2d 31 2d 39 3b 00 02 33 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 | 2-1-9;..3.....1;1-1-1;1-1-19;2-2 |
57120 | 2d 31 3b 32 2d 31 2d 36 3b 00 02 34 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 | -1;2-1-6;..4.....1;1-2-1;2-1-1;2 |
57140 | 2d 31 2d 31 39 3b 00 02 35 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d | -1-19;..5.....1;1-2-1;2-1-1;2-1- |
57160 | 31 39 3b 00 02 36 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b | 19;..6.....1;1-1-1;1-1-19;2-2-1; |
57180 | 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 0b 00 00 00 4f 3d 4e 4e 31 43 43 43 43 31 00 | 2-1-6;....smiles.....O=NN1CCCC1. |
571a0 | 02 69 6e 63 68 69 00 29 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 38 4e 32 4f 2f 63 37 2d 35 | .inchi.)...InChI=1S/C4H8N2O/c7-5 |
571c0 | 2d 36 2d 33 2d 31 2d 32 2d 34 2d 36 2f 68 31 2d 34 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 | -6-3-1-2-4-6/h1-4H2..updated_at. |
571e0 | d2 f9 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d0 f9 5e 46 50 01 00 00 10 64 65 66 | ..^FP....created_at...^FP....def |
57200 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 dd 01 00 00 07 | ault_fingerprint_size........... |
57220 | 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 df 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..h+r.+@....warnings....... |
57240 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 15 01 00 00 04 4d 50 32 44 00 0a 01 00 00 02 30 00 10 00 | fingerprints......MP2D......0... |
57260 | 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 00 16 00 00 00 36 3b 31 2d 31 2d 39 | ..9;1-1-6;2-1-19;..1.....6;1-1-9 |
57280 | 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 32 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 | ;1-1-19;2-2-1;..2.....19;1-2-1;1 |
572a0 | 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 22 00 00 00 31 3b 31 2d 31 2d 31 | -1-6;2-2-1;2-1-9;..3."...1;1-1-1 |
572c0 | 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 34 00 1c 00 | ;1-1-19;2-1-1;2-1-6;2-1-8;..4... |
572e0 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 35 | ..1;1-1-1;1-1-8;2-1-1;2-1-19;..5 |
57300 | 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 36 00 1c 00 00 00 31 3b 31 2d 31 | .....8;1-2-1;2-2-1;..6.....1;1-1 |
57320 | 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 37 00 22 00 00 00 31 3b | -1;1-1-8;2-1-1;2-1-19;..7."...1; |
57340 | 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 | 1-1-1;1-1-19;2-1-1;2-1-6;2-1-8;. |
57360 | 00 00 02 73 6d 69 6c 65 73 00 0c 00 00 00 4f 3d 4e 4e 31 43 43 4f 43 43 31 00 02 69 6e 63 68 69 | ...smiles.....O=NN1CCOCC1..inchi |
57380 | 00 2c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 38 4e 32 4f 32 2f 63 37 2d 35 2d 36 2d 31 2d | .,...InChI=1S/C4H8N2O2/c7-5-6-1- |
573a0 | 33 2d 38 2d 34 2d 32 2d 36 2f 68 31 2d 34 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 d8 f9 5e | 3-8-4-2-6/h1-4H2..updated_at...^ |
573c0 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d6 f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at...^FP....defaul |
573e0 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 e3 01 00 00 07 5f 69 64 | t_fingerprint_size..........._id |
57400 | 00 56 16 1c 68 2b 72 ed 2b 40 00 01 e0 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..h+r.+@....warnings.......fin |
57420 | 67 65 72 70 72 69 6e 74 73 00 1b 01 00 00 04 4d 50 32 44 00 10 01 00 00 02 30 00 10 00 00 00 39 | gerprints......MP2D......0.....9 |
57440 | 3b 31 2d 31 2d 36 3b 32 2d 31 2d 33 31 3b 00 02 31 00 1c 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d | ;1-1-6;2-1-31;..1.....6;1-1-9;1- |
57460 | 31 2d 33 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 00 22 00 00 00 33 31 3b 31 2d 31 2d | 1-31;2-1-1;2-1-8;..2."...31;1-1- |
57480 | 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 22 00 | 1;1-1-6;1-1-8;2-2-1;2-1-9;..3.". |
574a0 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 | ..1;1-1-1;1-1-31;2-1-1;2-1-6;2-1 |
574c0 | 2d 38 3b 00 02 34 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 31 3b | -8;..4.....1;1-2-1;2-1-1;2-1-31; |
574e0 | 00 02 35 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 36 00 | ..5.....1;1-2-1;2-1-1;2-1-8;..6. |
57500 | 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 31 3b 00 | ....1;1-1-1;1-1-8;2-1-1;2-1-31;. |
57520 | 02 37 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d | .7.....8;1-1-1;1-1-31;2-2-1;2-1- |
57540 | 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 0c 00 00 00 4f 3d 4e 4e 31 43 43 43 43 4f 31 00 02 69 6e | 6;....smiles.....O=NN1CCCCO1..in |
57560 | 63 68 69 00 2c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 38 4e 32 4f 32 2f 63 37 2d 35 2d 36 | chi.,...InChI=1S/C4H8N2O2/c7-5-6 |
57580 | 2d 33 2d 31 2d 32 2d 34 2d 38 2d 36 2f 68 31 2d 34 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 | -3-1-2-4-8-6/h1-4H2..updated_at. |
575a0 | dd f9 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 dc f9 5e 46 50 01 00 00 10 64 65 66 | ..^FP....created_at...^FP....def |
575c0 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 e2 01 00 00 07 | ault_fingerprint_size........... |
575e0 | 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 e1 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..h+r.+@....warnings....... |
57600 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 1a 01 00 00 04 4d 50 32 44 00 0f 01 00 00 02 30 00 10 00 | fingerprints......MP2D......0... |
57620 | 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 00 16 00 00 00 36 3b 31 2d 31 2d 39 | ..9;1-1-6;2-1-19;..1.....6;1-1-9 |
57640 | 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 32 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 | ;1-1-19;2-2-1;..2.....19;1-2-1;1 |
57660 | 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 23 00 00 00 31 3b 31 2d 31 2d 31 | -1-6;2-2-1;2-1-9;..3.#...1;1-1-1 |
57680 | 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 30 3b 00 02 34 00 1d | ;1-1-19;2-1-1;2-1-6;2-1-10;..4.. |
576a0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 | ...1;1-1-1;1-1-10;2-1-1;2-1-19;. |
576c0 | 02 35 00 10 00 00 00 31 30 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 36 00 1d 00 00 00 31 3b | .5.....10;1-2-1;2-2-1;..6.....1; |
576e0 | 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 37 00 23 00 | 1-1-1;1-1-10;2-1-1;2-1-19;..7.#. |
57700 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 | ..1;1-1-1;1-1-19;2-1-1;2-1-6;2-1 |
57720 | 2d 31 30 3b 00 00 00 02 73 6d 69 6c 65 73 00 0c 00 00 00 4f 3d 4e 4e 31 43 43 53 43 43 31 00 02 | -10;....smiles.....O=NN1CCSCC1.. |
57740 | 69 6e 63 68 69 00 2c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 38 4e 32 4f 53 2f 63 37 2d 35 | inchi.,...InChI=1S/C4H8N2OS/c7-5 |
57760 | 2d 36 2d 31 2d 33 2d 38 2d 34 2d 32 2d 36 2f 68 31 2d 34 48 32 00 09 75 70 64 61 74 65 64 5f 61 | -6-1-3-8-4-2-6/h1-4H2..updated_a |
57780 | 74 00 e3 f9 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e1 f9 5e 46 50 01 00 00 10 64 | t...^FP....created_at...^FP....d |
577a0 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 18 02 00 | efault_fingerprint_size......... |
577c0 | 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 e2 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V..h+r.+@....warnings..... |
577e0 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 46 01 00 00 04 4d 50 32 44 00 3b 01 00 00 02 30 00 | ..fingerprints.F....MP2D.;....0. |
57800 | 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 00 16 00 00 00 36 3b 31 2d 31 | ....9;1-1-6;2-1-19;..1.....6;1-1 |
57820 | 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 32 00 23 00 00 00 31 39 3b 31 2d 32 2d 31 | -9;1-1-19;2-2-1;..2.#...19;1-2-1 |
57840 | 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 33 00 1c 00 | ;1-1-6;2-1-1;2-1-9;2-1-19;..3... |
57860 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 34 | ..1;1-1-1;1-1-19;2-2-1;2-1-6;..4 |
57880 | 00 10 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 39 3b 00 02 35 00 1c 00 00 00 31 3b 31 2d | .....1;1-2-1;2-2-19;..5.....1;1- |
578a0 | 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 36 00 23 00 00 00 31 | 1-1;1-1-19;2-2-1;2-1-6;..6.#...1 |
578c0 | 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 | 9;1-2-1;1-1-6;2-1-1;2-1-9;2-1-19 |
578e0 | 3b 00 02 37 00 16 00 00 00 31 3b 31 2d 32 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 36 3b 00 02 | ;..7.....1;1-2-19;2-2-1;2-2-6;.. |
57900 | 38 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 39 00 10 | 8.....6;1-1-9;1-1-19;2-2-1;..9.. |
57920 | 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 11 00 00 | ...9;1-1-6;2-1-19;....smiles.... |
57940 | 00 4f 3d 4e 4e 31 43 43 43 4e 28 43 31 29 4e 3d 4f 00 02 69 6e 63 68 69 00 31 00 00 00 49 6e 43 | .O=NN1CCCN(C1)N=O..inchi.1...InC |
57960 | 68 49 3d 31 53 2f 43 34 48 38 4e 34 4f 32 2f 63 39 2d 35 2d 37 2d 32 2d 31 2d 33 2d 38 28 34 2d | hI=1S/C4H8N4O2/c9-5-7-2-1-3-8(4- |
57980 | 37 29 36 2d 31 30 2f 68 31 2d 34 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 e9 f9 5e 46 50 01 | 7)6-10/h1-4H2..updated_at...^FP. |
579a0 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e7 f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at...^FP....default_f |
579c0 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 51 01 00 00 07 5f 69 64 00 56 16 | ingerprint_size......Q...._id.V. |
579e0 | 1c 68 2b 72 ed 2b 40 00 01 e3 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | .h+r.+@....warnings.......finger |
57a00 | 70 72 69 6e 74 73 00 96 00 00 00 04 4d 50 32 44 00 8b 00 00 00 02 30 00 15 00 00 00 31 3b 31 2d | prints......MP2D......0.....1;1- |
57a20 | 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b | 1-1;1-1-8;2-2-1;..1.....1;1-2-1; |
57a40 | 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d | 2-1-1;2-1-8;..2.....1;1-2-1;2-1- |
57a60 | 31 3b 32 2d 31 2d 38 3b 00 02 33 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d | 1;2-1-8;..3.....1;1-1-1;1-1-8;2- |
57a80 | 32 2d 31 3b 00 02 34 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d | 2-1;..4.....8;1-2-1;2-2-1;....sm |
57aa0 | 69 6c 65 73 00 08 00 00 00 43 31 43 43 43 4f 31 00 02 69 6e 63 68 69 00 23 00 00 00 49 6e 43 68 | iles.....C1CCCO1..inchi.#...InCh |
57ac0 | 49 3d 31 53 2f 43 34 48 38 4f 2f 63 31 2d 32 2d 34 2d 35 2d 33 2d 31 2f 68 31 2d 34 48 32 00 09 | I=1S/C4H8O/c1-2-4-5-3-1/h1-4H2.. |
57ae0 | 75 70 64 61 74 65 64 5f 61 74 00 ee f9 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ed | updated_at...^FP....created_at.. |
57b00 | f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | .^FP....default_fingerprint_size |
57b20 | 00 00 00 00 00 00 83 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 e4 04 77 61 72 6e | ..........._id.V..h+r.+@....warn |
57b40 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c4 00 00 00 04 4d 50 32 | ings.......fingerprints......MP2 |
57b60 | 44 00 b9 00 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 00 1b | D......0.....8;1-2-1;2-2-1;..1.. |
57b80 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 | ...1;1-1-1;1-1-8;2-1-1;2-1-8;..2 |
57ba0 | 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 | .....1;1-1-1;1-1-8;2-1-1;2-1-8;. |
57bc0 | 02 33 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 34 00 1b 00 00 00 31 3b 31 | .3.....8;1-2-1;2-2-1;..4.....1;1 |
57be0 | 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 1b 00 00 00 31 | -1-1;1-1-8;2-1-1;2-1-8;..5.....1 |
57c00 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 | ;1-1-1;1-1-8;2-1-1;2-1-8;....smi |
57c20 | 6c 65 73 00 09 00 00 00 4f 31 43 43 4f 43 43 31 00 02 69 6e 63 68 69 00 26 00 00 00 49 6e 43 68 | les.....O1CCOCC1..inchi.&...InCh |
57c40 | 49 3d 31 53 2f 43 34 48 38 4f 32 2f 63 31 2d 32 2d 36 2d 34 2d 33 2d 35 2d 31 2f 68 31 2d 34 48 | I=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H |
57c60 | 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 f4 f9 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | 2..updated_at...^FP....created_a |
57c80 | 74 00 f2 f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t...^FP....default_fingerprint_s |
57ca0 | 69 7a 65 00 00 00 00 00 00 c5 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 e5 04 77 | ize..........._id.V..h+r.+@....w |
57cc0 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 fd 00 00 00 04 | arnings.......fingerprints...... |
57ce0 | 4d 50 32 44 00 f2 00 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 | MP2D......0.....9;1-1-6;2-1-19;. |
57d00 | 02 31 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 32 00 | .1.....6;1-1-9;1-1-19;2-2-1;..2. |
57d20 | 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 | ....19;1-2-1;1-1-6;2-2-1;2-1-9;. |
57d40 | 02 33 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d | .3.....1;1-1-1;1-1-19;2-2-1;2-1- |
57d60 | 36 3b 00 02 34 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 | 6;..4.....1;1-2-1;2-1-1;2-1-19;. |
57d80 | 02 35 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 36 00 16 00 00 00 31 3b 31 | .5.....1;1-2-1;2-2-1;..6.....1;1 |
57da0 | 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 37 00 1c 00 00 00 31 3b 31 2d 31 2d | -2-1;2-1-1;2-1-19;..7.....1;1-1- |
57dc0 | 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 | 1;1-1-19;2-2-1;2-1-6;....smiles. |
57de0 | 0c 00 00 00 4f 3d 4e 4e 31 43 43 43 43 43 31 00 02 69 6e 63 68 69 00 2c 00 00 00 49 6e 43 68 49 | ....O=NN1CCCCC1..inchi.,...InChI |
57e00 | 3d 31 53 2f 43 35 48 31 30 4e 32 4f 2f 63 38 2d 36 2d 37 2d 34 2d 32 2d 31 2d 33 2d 35 2d 37 2f | =1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/ |
57e20 | 68 31 2d 35 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 fa f9 5e 46 50 01 00 00 09 63 72 65 61 | h1-5H2..updated_at...^FP....crea |
57e40 | 74 65 64 5f 61 74 00 f8 f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at...^FP....default_fingerpr |
57e60 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 47 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 | int_size......G...._id.V..h+r.+@ |
57e80 | 00 01 e6 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 | ....warnings.......fingerprints. |
57ea0 | 70 01 00 00 04 4d 50 32 44 00 65 01 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 | p....MP2D.e....0.....9;1-1-6;2-1 |
57ec0 | 2d 31 39 3b 00 02 31 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 | -19;..1.....6;1-1-9;1-1-19;2-2-1 |
57ee0 | 3b 00 02 32 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d | ;..2.....19;1-2-1;1-1-6;2-2-1;2- |
57f00 | 31 2d 39 3b 00 02 33 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 | 1-9;..3.....1;1-1-1;1-1-19;2-2-1 |
57f20 | 3b 32 2d 31 2d 36 3b 00 02 34 00 10 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 39 3b 00 02 | ;2-1-6;..4.....1;1-2-1;2-2-19;.. |
57f40 | 35 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 | 5.....1;1-1-1;1-1-19;2-2-1;2-1-6 |
57f60 | 3b 00 02 36 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d | ;..6.....19;1-2-1;1-1-6;2-2-1;2- |
57f80 | 31 2d 39 3b 00 02 37 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 | 1-9;..7.#...1;1-1-1;1-1-19;2-1-1 |
57fa0 | 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 38 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | ;2-1-6;2-1-19;..8.#...1;1-1-1;1- |
57fc0 | 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 39 00 16 00 00 00 | 1-19;2-1-1;2-1-6;2-1-19;..9..... |
57fe0 | 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 31 30 00 10 00 00 00 39 3b | 6;1-1-9;1-1-19;2-2-1;..10.....9; |
58000 | 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 12 00 00 00 4f 3d 4e 4e | 1-1-6;2-1-19;....smiles.....O=NN |
58020 | 31 43 43 43 4e 28 43 43 31 29 4e 3d 4f 00 02 69 6e 63 68 69 00 35 00 00 00 49 6e 43 68 49 3d 31 | 1CCCN(CC1)N=O..inchi.5...InChI=1 |
58040 | 53 2f 43 35 48 31 30 4e 34 4f 32 2f 63 31 30 2d 36 2d 38 2d 32 2d 31 2d 33 2d 39 28 37 2d 31 31 | S/C5H10N4O2/c10-6-8-2-1-3-9(7-11 |
58060 | 29 35 2d 34 2d 38 2f 68 31 2d 35 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 00 fa 5e 46 50 01 | )5-4-8/h1-5H2..updated_at...^FP. |
58080 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ff f9 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at...^FP....default_f |
580a0 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 1f 02 00 00 07 5f 69 64 00 56 16 | ingerprint_size..........._id.V. |
580c0 | 1c 68 2b 72 ed 2b 40 00 01 e7 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | .h+r.+@....warnings.......finger |
580e0 | 70 72 69 6e 74 73 00 49 01 00 00 04 4d 50 32 44 00 3e 01 00 00 02 30 00 17 00 00 00 31 35 3b 31 | prints.I....MP2D.>....0.....15;1 |
58100 | 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 31 00 1d 00 00 00 32 3b 31 2d 31 2d | -1-2;2-1-2;2-1-15;..1.....2;1-1- |
58120 | 32 3b 31 2d 32 2d 31 35 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 32 00 23 00 00 00 32 3b | 2;1-2-15;2-1-2;2-1-15;..2.#...2; |
58140 | 31 2d 32 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 31 35 3b | 1-2-2;1-1-15;2-1-1;2-1-2;2-2-15; |
58160 | 00 02 33 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 31 2d 32 3b 32 2d 33 2d | ..3.....2;1-1-1;1-2-2;2-1-2;2-3- |
58180 | 31 35 3b 00 02 34 00 1c 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 32 2d 31 35 3b 32 2d 31 2d 31 3b | 15;..4.....2;1-1-2;1-2-15;2-1-1; |
581a0 | 32 2d 31 2d 32 3b 00 02 35 00 17 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 | 2-1-2;..5.....15;1-1-2;2-1-2;2-1 |
581c0 | 2d 31 35 3b 00 02 36 00 17 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 | -15;..6.....15;1-1-2;2-1-2;2-1-1 |
581e0 | 35 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 02 38 00 10 00 00 00 | 5;..7.....1;1-1-2;2-2-2;..8..... |
58200 | 31 35 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 02 39 00 17 00 00 00 31 35 3b 31 2d 31 2d 32 3b | 15;1-1-2;2-2-2;..9.....15;1-1-2; |
58220 | 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 1a 00 00 00 43 6c 43 28 | 2-1-2;2-1-15;....smiles.....ClC( |
58240 | 3d 43 28 43 28 3d 43 28 43 6c 29 43 6c 29 43 29 43 6c 29 43 6c 00 02 69 6e 63 68 69 00 2c 00 00 | =C(C(=C(Cl)Cl)C)Cl)Cl..inchi.,.. |
58260 | 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 33 43 6c 35 2f 63 31 2d 32 28 34 28 37 29 38 29 33 28 36 | .InChI=1S/C5H3Cl5/c1-2(4(7)8)3(6 |
58280 | 29 35 28 39 29 31 30 2f 68 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 07 fa 5e 46 50 01 00 | )5(9)10/h1H3..updated_at...^FP.. |
582a0 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 05 fa 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at...^FP....default_fi |
582c0 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 a8 01 00 00 07 5f 69 64 00 56 16 1c | ngerprint_size..........._id.V.. |
582e0 | 68 2b 72 ed 2b 40 00 01 e8 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | h+r.+@....warnings.......fingerp |
58300 | 72 69 6e 74 73 00 e6 00 00 00 04 4d 50 32 44 00 db 00 00 00 02 30 00 0f 00 00 00 39 3b 31 2d 31 | rints......MP2D......0.....9;1-1 |
58320 | 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 00 1b 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 | -2;2-1-3;..1.....2;1-1-3;1-1-9;2 |
58340 | 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 | -1-3;2-1-9;..2.!...3;1-1-2;1-1-3 |
58360 | 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 1b 00 00 00 33 3b 31 2d 32 | ;1-1-9;2-2-3;2-1-9;..3.....3;1-2 |
58380 | 2d 33 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 34 00 15 00 00 00 33 3b 31 | -3;2-1-2;2-1-3;2-1-9;..4.....3;1 |
583a0 | 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 31 2d 33 | -2-3;2-1-3;2-1-9;..5.....3;1-1-3 |
583c0 | 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 31 | ;1-1-9;2-2-3;..6.....9;1-2-3;2-1 |
583e0 | 2d 32 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 0b 00 00 00 4f 3d 43 63 31 63 63 63 | -2;2-2-3;....smiles.....O=Cc1ccc |
58400 | 6f 31 00 02 69 6e 63 68 69 00 27 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 34 4f 32 2f 63 36 | o1..inchi.'...InChI=1S/C5H4O2/c6 |
58420 | 2d 34 2d 35 2d 32 2d 31 2d 33 2d 37 2d 35 2f 68 31 2d 34 48 00 09 75 70 64 61 74 65 64 5f 61 74 | -4-5-2-1-3-7-5/h1-4H..updated_at |
58440 | 00 0e fa 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 0c fa 5e 46 50 01 00 00 10 64 65 | ...^FP....created_at...^FP....de |
58460 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 6e 01 00 00 | fault_fingerprint_size......n... |
58480 | 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 e9 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V..h+r.+@....warnings...... |
584a0 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b1 00 00 00 04 4d 50 32 44 00 a6 00 00 00 02 30 00 16 | .fingerprints......MP2D......0.. |
584c0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 00 0f 00 00 00 | ...3;1-2-3;2-1-3;2-1-11;..1..... |
584e0 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 3;1-2-3;2-2-3;..2.....3;1-2-3;2- |
58500 | 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 | 1-3;2-1-11;..3.....3;1-1-3;1-1-1 |
58520 | 31 3b 32 2d 32 2d 33 3b 00 02 34 00 10 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | 1;2-2-3;..4.....11;1-2-3;2-2-3;. |
58540 | 02 35 00 16 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 00 00 02 | .5.....3;1-1-3;1-1-11;2-2-3;.... |
58560 | 73 6d 69 6c 65 73 00 09 00 00 00 63 31 63 63 63 6e 63 31 00 02 69 6e 63 68 69 00 24 00 00 00 49 | smiles.....c1cccnc1..inchi.$...I |
58580 | 6e 43 68 49 3d 31 53 2f 43 35 48 35 4e 2f 63 31 2d 32 2d 34 2d 36 2d 35 2d 33 2d 31 2f 68 31 2d | nChI=1S/C5H5N/c1-2-4-6-5-3-1/h1- |
585a0 | 35 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 14 fa 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | 5H..updated_at...^FP....created_ |
585c0 | 61 74 00 12 fa 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at...^FP....default_fingerprint_ |
585e0 | 73 69 7a 65 00 00 00 00 00 00 4e 02 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 01 ea 04 | size......N...._id.V..h+r.+@.... |
58600 | 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 74 01 00 00 | warnings.......fingerprints.t... |
58620 | 04 4d 50 32 44 00 69 01 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b | .MP2D.i....0.....15;1-1-3;2-2-3; |
58640 | 00 02 31 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 32 | ..1.....3;1-2-3;1-1-15;2-2-3;2-2 |
58660 | 2d 31 35 3b 00 02 32 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 | -15;..2.....3;1-2-3;1-1-15;2-2-3 |
58680 | 3b 32 2d 32 2d 31 35 3b 00 02 33 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | ;2-2-15;..3.....15;1-1-3;2-2-3;. |
586a0 | 02 34 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 32 2d | .4.....3;1-2-3;1-1-15;2-2-3;2-2- |
586c0 | 31 35 3b 00 02 35 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 1d 00 | 15;..5.....15;1-1-3;2-2-3;..6... |
586e0 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 | ..3;1-2-3;1-1-15;2-2-3;2-2-15;.. |
58700 | 37 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 | 7.....3;1-2-3;1-1-15;2-2-3;2-2-1 |
58720 | 35 3b 00 02 38 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 | 5;..8.....3;1-2-3;1-1-15;2-2-3;2 |
58740 | 2d 32 2d 31 35 3b 00 02 39 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | -2-15;..9.....15;1-1-3;2-2-3;..1 |
58760 | 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 10 00 00 00 31 35 | 0.....15;1-1-3;2-2-3;..11.....15 |
58780 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1d 00 00 00 43 6c 63 31 | ;1-1-3;2-2-3;....smiles.....Clc1 |
587a0 | 63 28 43 6c 29 63 28 43 6c 29 63 28 63 28 63 31 43 6c 29 43 6c 29 43 6c 00 02 69 6e 63 68 69 00 | c(Cl)c(Cl)c(c(c1Cl)Cl)Cl..inchi. |
587c0 | 2d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 43 6c 36 2f 63 37 2d 31 2d 32 28 38 29 34 28 31 30 | -...InChI=1S/C6Cl6/c7-1-2(8)4(10 |
587e0 | 29 36 28 31 32 29 35 28 31 31 29 33 28 31 29 39 00 09 75 70 64 61 74 65 64 5f 61 74 00 1b fa 5e | )6(12)5(11)3(1)9..updated_at...^ |
58800 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 19 fa 5e 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at...^FP....defaul |
58820 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 b5 01 00 00 07 5f 69 64 | t_fingerprint_size..........._id |
58840 | 00 56 16 1c 68 2b 72 ed 2b 40 00 01 eb 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..h+r.+@....warnings.......fin |
58860 | 67 65 72 70 72 69 6e 74 73 00 ec 00 00 00 04 4d 50 32 44 00 e1 00 00 00 02 30 00 10 00 00 00 31 | gerprints......MP2D......0.....1 |
58880 | 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 5;1-1-3;2-2-3;..1.....3;1-2-3;1- |
588a0 | 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 1-15;2-2-3;..2.....3;1-2-3;2-2-3 |
588c0 | 3b 32 2d 31 2d 31 35 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | ;2-1-15;..3.....3;1-2-3;2-2-3;2- |
588e0 | 31 2d 31 35 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d | 1-15;..4.....3;1-2-3;1-1-15;2-2- |
58900 | 33 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 | 3;..5.....3;1-2-3;2-2-3;2-1-15;. |
58920 | 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 37 00 | .6.....3;1-2-3;2-2-3;2-1-15;..7. |
58940 | 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 0f 00 | ....15;1-1-3;2-2-3;....smiles... |
58960 | 00 00 43 6c 63 31 63 63 63 28 63 63 31 29 43 6c 00 02 69 6e 63 68 69 00 2a 00 00 00 49 6e 43 68 | ..Clc1ccc(cc1)Cl..inchi.*...InCh |
58980 | 49 3d 31 53 2f 43 36 48 34 43 6c 32 2f 63 37 2d 35 2d 31 2d 32 2d 36 28 38 29 34 2d 33 2d 35 2f | I=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/ |
589a0 | 68 31 2d 34 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 21 fa 5e 46 50 01 00 00 09 63 72 65 61 74 | h1-4H..updated_at.!.^FP....creat |
589c0 | 65 64 5f 61 74 00 20 fa 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at...^FP....default_fingerpri |
589e0 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 82 01 00 00 07 5f 69 64 00 56 16 1c 68 2b 72 ed 2b 40 00 | nt_size..........._id.V..h+r.+@. |
58a00 | 01 ec 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c0 | ...warnings.......fingerprints.. |
58a20 | 00 00 00 04 4d 50 32 44 00 b5 00 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 | ....MP2D......0.....15;1-1-3;2-2 |
58a40 | 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b | -3;..1.....3;1-2-3;1-1-15;2-2-3; |
58a60 | 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 33 | ..2.....3;1-2-3;2-2-3;2-1-15;..3 |
58a80 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 32 | .....3;1-2-3;2-2-3;..4.....3;1-2 |
58aa0 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | -3;2-2-3;..5.....3;1-2-3;2-2-3;. |
58ac0 | 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 00 00 02 | .6.....3;1-2-3;2-2-3;2-1-15;.... |
58ae0 | 73 6d 69 6c 65 73 00 0b 00 00 00 43 6c 63 31 63 63 63 63 63 31 00 02 69 6e 63 68 69 00 27 00 00 | smiles.....Clc1ccccc1..inchi.'.. |
58b00 | 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 35 43 6c 2f 63 37 2d 36 2d 34 2d 32 2d 31 2d 33 2d 35 2d | .InChI=1S/C6H5Cl/c7-6-4-2-1-3-5- |
58b20 | 36 2f 68 31 2d 35 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 28 fa 5e 46 50 01 00 00 09 63 72 65 | 6/h1-5H..updated_at.(.^FP....cre |
58b40 | 61 74 65 64 5f 61 74 00 26 fa 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at.&.^FP....default_fingerp |
58b60 | 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 d2 01 00 00 07 5f 69 64 00 56 16 1c 69 2b 72 ed 2b | rint_size..........._id.V..i+r.+ |
58b80 | 40 00 01 ed 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 | @....warnings.......fingerprints |
58ba0 | 00 06 01 00 00 04 4d 50 32 44 00 fb 00 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 | ......MP2D......0.....9;1-1-19;2 |
58bc0 | 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d | -1-3;2-1-9;..1.....19;1-1-3;1-2- |
58be0 | 39 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 | 9;2-2-3;..2.....9;1-1-19;2-1-3;2 |
58c00 | 2d 31 2d 39 3b 00 02 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d | -1-9;..3.....3;1-2-3;1-1-19;2-2- |
58c20 | 33 3b 32 2d 32 2d 39 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | 3;2-2-9;..4.....3;1-2-3;2-2-3;2- |
58c40 | 31 2d 31 39 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 0f | 1-19;..5.....3;1-2-3;2-2-3;..6.. |
58c60 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | ...3;1-2-3;2-2-3;..7.....3;1-2-3 |
58c80 | 3b 32 2d 32 2d 33 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | ;2-2-3;..8.....3;1-2-3;2-2-3;2-1 |
58ca0 | 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 10 00 00 00 4f 3d 4e 28 3d 4f 29 63 31 63 63 63 63 | -19;....smiles.....O=N(=O)c1cccc |
58cc0 | 63 31 00 02 69 6e 63 68 69 00 2c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 35 4e 4f 32 2f 63 | c1..inchi.,...InChI=1S/C6H5NO2/c |
58ce0 | 38 2d 37 28 39 29 36 2d 34 2d 32 2d 31 2d 33 2d 35 2d 36 2f 68 31 2d 35 48 00 09 75 70 64 61 74 | 8-7(9)6-4-2-1-3-5-6/h1-5H..updat |
58d00 | 65 64 5f 61 74 00 2f fa 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 2d fa 5e 46 50 01 | ed_at./.^FP....created_at.-.^FP. |
58d20 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
58d40 | 00 50 01 00 00 07 5f 69 64 00 56 16 1c 69 2b 72 ed 2b 40 00 01 ee 04 77 61 72 6e 69 6e 67 73 00 | .P...._id.V..i+r.+@....warnings. |
58d60 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 94 00 00 00 04 4d 50 32 44 00 89 00 00 | ......fingerprints......MP2D.... |
58d80 | 00 02 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 0f 00 00 00 33 3b | ..0.....3;1-2-3;2-2-3;..1.....3; |
58da0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 1-2-3;2-2-3;..2.....3;1-2-3;2-2- |
58dc0 | 33 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 34 00 0f 00 00 00 | 3;..3.....3;1-2-3;2-2-3;..4..... |
58de0 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 3;1-2-3;2-2-3;..5.....3;1-2-3;2- |
58e00 | 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 09 00 00 00 63 31 63 63 63 63 63 31 00 02 69 6e 63 | 2-3;....smiles.....c1ccccc1..inc |
58e20 | 68 69 00 23 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 36 2f 63 31 2d 32 2d 34 2d 36 2d 35 2d | hi.#...InChI=1S/C6H6/c1-2-4-6-5- |
58e40 | 33 2d 31 2f 68 31 2d 36 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 35 fa 5e 46 50 01 00 00 09 63 | 3-1/h1-6H..updated_at.5.^FP....c |
58e60 | 72 65 61 74 65 64 5f 61 74 00 34 fa 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.4.^FP....default_finge |
58e80 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 56 02 00 00 07 5f 69 64 00 56 16 1c 69 2b 72 | rprint_size......V...._id.V..i+r |
58ea0 | ed 2b 40 00 01 ef 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .+@....warnings.......fingerprin |
58ec0 | 74 73 00 74 01 00 00 04 4d 50 32 44 00 69 01 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 | ts.t....MP2D.i....0.....15;1-1-1 |
58ee0 | 3b 32 2d 32 2d 31 3b 00 02 31 00 1d 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d | ;2-2-1;..1.....1;1-2-1;1-1-15;2- |
58f00 | 32 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 32 00 1d 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 | 2-1;2-2-15;..2.....1;1-2-1;1-1-1 |
58f20 | 35 3b 32 2d 32 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 33 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b | 5;2-2-1;2-2-15;..3.....15;1-1-1; |
58f40 | 32 2d 32 2d 31 3b 00 02 34 00 1d 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 32 | 2-2-1;..4.....1;1-2-1;1-1-15;2-2 |
58f60 | 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 35 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 | -1;2-2-15;..5.....15;1-1-1;2-2-1 |
58f80 | 3b 00 02 36 00 1d 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 31 3b 32 2d | ;..6.....1;1-2-1;1-1-15;2-2-1;2- |
58fa0 | 32 2d 31 35 3b 00 02 37 00 1d 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d | 2-15;..7.....1;1-2-1;1-1-15;2-2- |
58fc0 | 31 3b 32 2d 32 2d 31 35 3b 00 02 38 00 1d 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 35 3b | 1;2-2-15;..8.....1;1-2-1;1-1-15; |
58fe0 | 32 2d 32 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 39 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d | 2-2-1;2-2-15;..9.....15;1-1-1;2- |
59000 | 32 2d 31 3b 00 02 31 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 31 | 2-1;..10.....15;1-1-1;2-2-1;..11 |
59020 | 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 1d | .....15;1-1-1;2-2-1;....smiles.. |
59040 | 00 00 00 43 6c 43 31 43 28 43 6c 29 43 28 43 6c 29 43 28 43 28 43 31 43 6c 29 43 6c 29 43 6c 00 | ...ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl. |
59060 | 02 69 6e 63 68 69 00 35 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 36 43 6c 36 2f 63 37 2d 31 | .inchi.5...InChI=1S/C6H6Cl6/c7-1 |
59080 | 2d 32 28 38 29 34 28 31 30 29 36 28 31 32 29 35 28 31 31 29 33 28 31 29 39 2f 68 31 2d 36 48 00 | -2(8)4(10)6(12)5(11)3(1)9/h1-6H. |
590a0 | 09 75 70 64 61 74 65 64 5f 61 74 00 3c fa 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at.<.^FP....created_at. |
590c0 | 3a fa 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | :.^FP....default_fingerprint_siz |
590e0 | 65 00 00 00 00 00 00 5e 02 00 00 07 5f 69 64 00 56 16 1c 69 2b 72 ed 2b 40 00 01 f0 04 77 61 72 | e......^...._id.V..i+r.+@....war |
59100 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 7e 01 00 00 04 4d 50 | nings.......fingerprints.~....MP |
59120 | 32 44 00 73 01 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | 2D.s....0.....15;1-1-3;2-2-3;..1 |
59140 | 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b | .#...3;1-2-3;1-1-15;2-2-3;2-1-8; |
59160 | 32 2d 31 2d 31 35 3b 00 02 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 | 2-1-15;..2.....3;1-2-3;1-1-8;2-2 |
59180 | 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 33 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b | -3;2-2-15;..3.....8;1-1-3;2-2-3; |
591a0 | 00 02 34 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 | ..4.#...3;1-2-3;1-1-15;2-2-3;2-1 |
591c0 | 2d 38 3b 32 2d 31 2d 31 35 3b 00 02 35 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | -8;2-1-15;..5.....15;1-1-3;2-2-3 |
591e0 | 3b 00 02 36 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d | ;..6.....3;1-2-3;1-1-15;2-2-3;2- |
59200 | 32 2d 31 35 3b 00 02 37 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d | 2-15;..7.....3;1-2-3;1-1-15;2-2- |
59220 | 33 3b 32 2d 32 2d 31 35 3b 00 02 38 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b | 3;2-2-15;..8.....3;1-2-3;1-1-15; |
59240 | 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 39 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d | 2-2-3;2-2-15;..9.....15;1-1-3;2- |
59260 | 32 2d 33 3b 00 02 31 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 | 2-3;..10.....15;1-1-3;2-2-3;..11 |
59280 | 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1c | .....15;1-1-3;2-2-3;....smiles.. |
592a0 | 00 00 00 43 6c 63 31 63 28 4f 29 63 28 43 6c 29 63 28 63 28 63 31 43 6c 29 43 6c 29 43 6c 00 02 | ...Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl.. |
592c0 | 69 6e 63 68 69 00 34 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 43 6c 35 4f 2f 63 37 2d 31 2d | inchi.4...InChI=1S/C6HCl5O/c7-1- |
592e0 | 32 28 38 29 34 28 31 30 29 36 28 31 32 29 35 28 31 31 29 33 28 31 29 39 2f 68 31 32 48 00 09 75 | 2(8)4(10)6(12)5(11)3(1)9/h12H..u |
59300 | 70 64 61 74 65 64 5f 61 74 00 43 fa 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 41 fa | pdated_at.C.^FP....created_at.A. |
59320 | 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | ^FP....default_fingerprint_size. |
59340 | 00 00 00 00 00 f8 01 00 00 07 5f 69 64 00 56 16 1c 69 2b 72 ed 2b 40 00 01 f1 04 77 61 72 6e 69 | .........._id.V..i+r.+@....warni |
59360 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 29 01 00 00 04 4d 50 32 44 | ngs.......fingerprints.)....MP2D |
59380 | 00 1e 01 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 00 16 | ......0.....9;1-1-6;2-1-19;..1.. |
593a0 | 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 32 00 1c 00 00 00 | ...6;1-1-9;1-1-19;2-2-1;..2..... |
593c0 | 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 1c | 19;1-2-1;1-1-6;2-2-1;2-1-9;..3.. |
593e0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 | ...1;1-1-1;1-1-19;2-2-1;2-1-6;.. |
59400 | 34 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 35 00 0f | 4.....1;1-2-1;2-1-1;2-1-19;..5.. |
59420 | 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 36 00 0f 00 00 00 31 3b 31 2d 32 2d 31 | ...1;1-2-1;2-2-1;..6.....1;1-2-1 |
59440 | 3b 32 2d 32 2d 31 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 38 | ;2-2-1;..7.....1;1-2-1;2-2-1;..8 |
59460 | 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 39 00 1c 00 | .....1;1-2-1;2-1-1;2-1-19;..9... |
59480 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 00 00 | ..1;1-1-1;1-1-19;2-2-1;2-1-6;... |
594a0 | 02 73 6d 69 6c 65 73 00 0e 00 00 00 4f 3d 4e 4e 31 43 43 43 43 43 43 43 31 00 02 69 6e 63 68 69 | .smiles.....O=NN1CCCCCCC1..inchi |
594c0 | 00 31 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 31 34 4e 32 4f 2f 63 31 30 2d 38 2d 39 2d 36 | .1...InChI=1S/C7H14N2O/c10-8-9-6 |
594e0 | 2d 34 2d 32 2d 31 2d 33 2d 35 2d 37 2d 39 2f 68 31 2d 37 48 32 00 09 75 70 64 61 74 65 64 5f 61 | -4-2-1-3-5-7-9/h1-7H2..updated_a |
59500 | 74 00 49 fa 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 48 fa 5e 46 50 01 00 00 10 64 | t.I.^FP....created_at.H.^FP....d |
59520 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 86 02 00 | efault_fingerprint_size......... |
59540 | 00 07 5f 69 64 00 56 16 1c 69 2b 72 ed 2b 40 00 01 f2 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V..i+r.+@....warnings..... |
59560 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a1 01 00 00 04 4d 50 32 44 00 96 01 00 00 02 30 00 | ..fingerprints......MP2D......0. |
59580 | 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 38 3b 31 2d 31 2d | ....1;1-1-8;2-1-3;..1.....8;1-1- |
595a0 | 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 1;1-1-3;2-2-3;..2."...3;1-2-3;1- |
595c0 | 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 33 00 23 00 00 00 33 | 1-8;2-1-1;2-2-3;2-2-15;..3.#...3 |
595e0 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 35 | ;1-2-3;1-1-15;2-2-3;2-1-8;2-1-15 |
59600 | 3b 00 02 34 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 1d 00 00 00 | ;..4.....15;1-1-3;2-2-3;..5..... |
59620 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 36 00 | 3;1-2-3;1-1-15;2-2-3;2-2-15;..6. |
59640 | 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 1d 00 00 00 33 3b 31 2d 32 | ....15;1-1-3;2-2-3;..7.....3;1-2 |
59660 | 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 38 00 1d 00 00 00 33 | -3;1-1-15;2-2-3;2-2-15;..8.....3 |
59680 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 39 00 23 | ;1-2-3;1-1-15;2-2-3;2-2-15;..9.# |
596a0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d | ...3;1-2-3;1-1-15;2-2-3;2-1-8;2- |
596c0 | 31 2d 31 35 3b 00 02 31 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | 1-15;..10.....15;1-1-3;2-2-3;..1 |
596e0 | 31 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 10 00 00 00 31 35 | 1.....15;1-1-3;2-2-3;..12.....15 |
59700 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1d 00 00 00 43 4f 63 31 | ;1-1-3;2-2-3;....smiles.....COc1 |
59720 | 63 28 43 6c 29 63 28 43 6c 29 63 28 63 28 63 31 43 6c 29 43 6c 29 43 6c 00 02 69 6e 63 68 69 00 | c(Cl)c(Cl)c(c(c1Cl)Cl)Cl..inchi. |
59740 | 38 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 33 43 6c 35 4f 2f 63 31 2d 31 33 2d 37 2d 35 28 | 8...InChI=1S/C7H3Cl5O/c1-13-7-5( |
59760 | 31 31 29 33 28 39 29 32 28 38 29 34 28 31 30 29 36 28 37 29 31 32 2f 68 31 48 33 00 09 75 70 64 | 11)3(9)2(8)4(10)6(7)12/h1H3..upd |
59780 | 61 74 65 64 5f 61 74 00 50 fa 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 4e fa 5e 46 | ated_at.P.^FP....created_at.N.^F |
597a0 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
597c0 | 00 00 00 a4 02 00 00 07 5f 69 64 00 56 16 1c 69 2b 72 ed 2b 40 00 01 f3 04 77 61 72 6e 69 6e 67 | ........_id.V..i+r.+@....warning |
597e0 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c0 01 00 00 04 4d 50 32 44 00 b5 | s.......fingerprints......MP2D.. |
59800 | 01 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 | ....0.....9;1-1-19;2-1-3;2-1-9;. |
59820 | 02 31 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d | .1.....19;1-1-3;1-2-9;2-1-3;2-1- |
59840 | 39 3b 00 02 32 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 | 9;..2.....9;1-1-19;2-1-3;2-1-9;. |
59860 | 02 33 00 22 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d | .3."...3;1-1-3;1-1-9;1-1-19;2-2- |
59880 | 33 3b 32 2d 32 2d 39 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d | 3;2-2-9;..4.....3;1-2-3;2-1-3;2- |
598a0 | 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 1-9;2-1-19;..5.....3;1-2-3;2-2-3 |
598c0 | 3b 32 2d 31 2d 39 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 33 | ;2-1-9;..6.....3;1-2-3;1-1-9;2-3 |
598e0 | 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 37 00 16 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b | -3;2-1-11;..7.....9;1-2-3;2-3-3; |
59900 | 32 2d 31 2d 31 39 3b 00 02 38 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d | 2-1-19;..8.#...3;1-2-3;1-1-11;2- |
59920 | 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 38 3b 00 02 39 00 1d 00 00 00 33 3b 31 2d 31 2d 33 | 2-3;2-1-9;2-1-18;..9.....3;1-1-3 |
59940 | 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 17 00 00 00 31 38 | ;1-1-18;2-2-3;2-1-11;..10.....18 |
59960 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 17 00 00 00 33 3b 31 | ;1-2-3;2-1-3;2-1-11;..11.....3;1 |
59980 | 2d 31 2d 31 31 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 33 3b 00 02 31 32 00 17 00 00 00 31 31 3b 31 | -1-11;1-1-18;2-2-3;..12.....11;1 |
599a0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 18 00 00 | -2-3;2-2-3;2-1-18;....smiles.... |
599c0 | 00 4f 3d 4e 28 3d 4f 29 63 31 63 63 63 28 6f 31 29 63 31 63 73 63 6e 31 00 02 69 6e 63 68 69 00 | .O=N(=O)c1ccc(o1)c1cscn1..inchi. |
599e0 | 3c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 34 4e 32 4f 33 53 2f 63 31 30 2d 39 28 31 31 29 | <...InChI=1S/C7H4N2O3S/c10-9(11) |
59a00 | 37 2d 32 2d 31 2d 36 28 31 32 2d 37 29 35 2d 33 2d 31 33 2d 34 2d 38 2d 35 2f 68 31 2d 34 48 00 | 7-2-1-6(12-7)5-3-13-4-8-5/h1-4H. |
59a20 | 09 75 70 64 61 74 65 64 5f 61 74 00 57 fa 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at.W.^FP....created_at. |
59a40 | 55 fa 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | U.^FP....default_fingerprint_siz |
59a60 | 65 00 00 00 00 00 00 a5 02 00 00 07 5f 69 64 00 56 16 1c 69 2b 72 ed 2b 40 00 01 f4 04 77 61 72 | e..........._id.V..i+r.+@....war |
59a80 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c1 01 00 00 04 4d 50 | nings.......fingerprints......MP |
59aa0 | 32 44 00 b6 01 00 00 02 30 00 0f 00 00 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 2d 33 3b 00 02 31 00 | 2D......0.....7;1-1-4;2-1-3;..1. |
59ac0 | 15 00 00 00 34 3b 31 2d 31 2d 33 3b 31 2d 31 2d 37 3b 32 2d 32 2d 33 3b 00 02 32 00 22 00 00 00 | ....4;1-1-3;1-1-7;2-2-3;..2."... |
59ae0 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 34 3b 32 2d 32 2d 33 3b 32 2d 31 2d 37 3b 32 2d 32 2d 31 35 | 3;1-2-3;1-1-4;2-2-3;2-1-7;2-2-15 |
59b00 | 3b 00 02 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d | ;..3.....3;1-2-3;1-1-15;2-2-3;2- |
59b20 | 32 2d 34 3b 00 02 34 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 22 | 2-4;..4.....15;1-1-3;2-2-3;..5." |
59b40 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 34 3b 32 2d 32 2d 33 3b 32 2d 31 2d 37 3b 32 2d 32 | ...3;1-2-3;1-1-4;2-2-3;2-1-7;2-2 |
59b60 | 2d 31 35 3b 00 02 36 00 15 00 00 00 34 3b 31 2d 31 2d 33 3b 31 2d 31 2d 37 3b 32 2d 32 2d 33 3b | -15;..6.....4;1-1-3;1-1-7;2-2-3; |
59b80 | 00 02 37 00 0f 00 00 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 2d 33 3b 00 02 38 00 23 00 00 00 33 3b | ..7.....7;1-1-4;2-1-3;..8.#...3; |
59ba0 | 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 34 3b 32 2d 31 2d 31 35 3b | 1-2-3;1-1-15;2-2-3;2-1-4;2-1-15; |
59bc0 | 00 02 39 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 32 | ..9.....3;1-2-3;1-1-15;2-2-3;2-2 |
59be0 | 2d 31 35 3b 00 02 31 30 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d | -15;..10.#...3;1-2-3;1-1-15;2-2- |
59c00 | 33 3b 32 2d 31 2d 34 3b 32 2d 31 2d 31 35 3b 00 02 31 31 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 | 3;2-1-4;2-1-15;..11.....15;1-1-3 |
59c20 | 3b 32 2d 32 2d 33 3b 00 02 31 32 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | ;2-2-3;..12.....15;1-1-3;2-2-3;. |
59c40 | 02 31 33 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 | .13.....15;1-1-3;2-2-3;....smile |
59c60 | 73 00 1f 00 00 00 4e 23 43 63 31 63 28 43 6c 29 63 28 43 23 4e 29 63 28 63 28 63 31 43 6c 29 43 | s.....N#Cc1c(Cl)c(C#N)c(c(c1Cl)C |
59c80 | 6c 29 43 6c 00 02 69 6e 63 68 69 00 35 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 43 6c 34 4e 32 | l)Cl..inchi.5...InChI=1S/C8Cl4N2 |
59ca0 | 2f 63 39 2d 35 2d 33 28 31 2d 31 33 29 36 28 31 30 29 38 28 31 32 29 37 28 31 31 29 34 28 35 29 | /c9-5-3(1-13)6(10)8(12)7(11)4(5) |
59cc0 | 32 2d 31 34 00 09 75 70 64 61 74 65 64 5f 61 74 00 5e fa 5e 46 50 01 00 00 09 63 72 65 61 74 65 | 2-14..updated_at.^.^FP....create |
59ce0 | 64 5f 61 74 00 5c fa 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.\.^FP....default_fingerprin |
59d00 | 74 5f 73 69 7a 65 00 00 00 00 00 00 c0 01 00 00 07 5f 69 64 00 56 16 1c 69 2b 72 ed 2b 40 00 01 | t_size..........._id.V..i+r.+@.. |
59d20 | f5 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 f4 00 | ..warnings.......fingerprints... |
59d40 | 00 00 04 4d 50 32 44 00 e9 00 00 00 02 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | ...MP2D......0.....3;1-2-3;2-2-3 |
59d60 | 3b 00 02 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 0f 00 00 00 33 | ;..1.....3;1-2-3;2-2-3;..2.....3 |
59d80 | 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 33 | ;1-2-3;2-3-3;..3.....3;1-3-3;2-3 |
59da0 | 2d 33 3b 32 2d 31 2d 39 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 | -3;2-1-9;..4.....3;1-2-3;1-1-9;2 |
59dc0 | 2d 34 2d 33 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 | -4-3;..5.....3;1-2-3;2-2-3;2-1-9 |
59de0 | 3b 00 02 36 00 0f 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 37 00 15 00 00 00 33 | ;..6.....9;1-2-3;2-3-3;..7.....3 |
59e00 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 | ;1-1-3;1-1-9;2-2-3;..8.....3;1-2 |
59e20 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 10 00 00 00 63 31 | -3;2-2-3;2-1-9;....smiles.....c1 |
59e40 | 63 63 63 32 63 28 63 31 29 6f 63 63 32 00 02 69 6e 63 68 69 00 2c 00 00 00 49 6e 43 68 49 3d 31 | ccc2c(c1)occ2..inchi.,...InChI=1 |
59e60 | 53 2f 43 38 48 36 4f 2f 63 31 2d 32 2d 34 2d 38 2d 37 28 33 2d 31 29 35 2d 36 2d 39 2d 38 2f 68 | S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h |
59e80 | 31 2d 36 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 65 fa 5e 46 50 01 00 00 09 63 72 65 61 74 65 | 1-6H..updated_at.e.^FP....create |
59ea0 | 64 5f 61 74 00 63 fa 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.c.^FP....default_fingerprin |
59ec0 | 74 5f 73 69 7a 65 00 00 00 00 00 00 20 03 00 00 07 5f 69 64 00 56 16 1c 69 2b 72 ed 2b 40 00 01 | t_size..........._id.V..i+r.+@.. |
59ee0 | f6 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 32 02 | ..warnings.......fingerprints.2. |
59f00 | 00 00 04 4d 50 32 44 00 27 02 00 00 02 30 00 18 00 00 00 31 38 3b 31 2d 31 2d 32 3b 32 2d 31 2d | ...MP2D.'....0.....18;1-1-2;2-1- |
59f20 | 31 30 3b 32 2d 31 2d 32 38 3b 00 02 31 00 24 00 00 00 32 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 31 | 10;2-1-28;..1.$...2;1-1-10;1-1-1 |
59f40 | 38 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 32 00 24 00 00 00 32 38 3b | 8;1-1-28;2-2-1;2-1-5;..2.$...28; |
59f60 | 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b | 1-2-1;1-1-2;2-2-1;2-1-10;2-1-18; |
59f80 | 00 02 33 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 | ..3."...1;1-1-1;1-1-28;2-1-1;2-1 |
59fa0 | 2d 32 3b 32 2d 31 2d 38 3b 00 02 34 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 | -2;2-1-8;..4.....1;1-1-1;1-1-8;2 |
59fc0 | 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 35 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d | -1-1;2-1-28;..5.....8;1-2-1;2-2- |
59fe0 | 31 3b 00 02 36 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d | 1;..6.....1;1-1-1;1-1-8;2-1-1;2- |
5a000 | 31 2d 32 38 3b 00 02 37 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d | 1-28;..7."...1;1-1-1;1-1-28;2-1- |
5a020 | 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 38 00 24 00 00 00 31 30 3b 31 2d 31 2d 32 3b 31 | 1;2-1-2;2-1-8;..8.$...10;1-1-2;1 |
5a040 | 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 32 38 3b 00 02 39 00 1c 00 00 | -1-5;2-2-1;2-1-18;2-1-28;..9.... |
5a060 | 00 35 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 30 | .5;1-2-1;1-1-10;2-2-1;2-1-2;..10 |
5a080 | 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 | ."...1;1-1-1;1-1-5;2-1-1;2-1-8;2 |
5a0a0 | 2d 31 2d 31 30 3b 00 02 31 31 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 | -1-10;..11.....1;1-1-1;1-1-8;2-1 |
5a0c0 | 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 32 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b | -1;2-1-5;..12.....8;1-2-1;2-2-1; |
5a0e0 | 00 02 31 33 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 | ..13.....1;1-1-1;1-1-8;2-1-1;2-1 |
5a100 | 2d 35 3b 00 02 31 34 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b | -5;..14."...1;1-1-1;1-1-5;2-1-1; |
5a120 | 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 00 00 00 02 73 6d 69 6c 65 73 00 17 00 00 00 53 3d 43 28 | 2-1-8;2-1-10;....smiles.....S=C( |
5a140 | 4e 31 43 43 4f 43 43 31 29 53 4e 31 43 43 4f 43 43 31 00 02 69 6e 63 68 69 00 47 00 00 00 49 6e | N1CCOCC1)SN1CCOCC1..inchi.G...In |
5a160 | 43 68 49 3d 31 53 2f 43 39 48 31 36 4e 32 4f 32 53 32 2f 63 31 34 2d 39 28 31 30 2d 31 2d 35 2d | ChI=1S/C9H16N2O2S2/c14-9(10-1-5- |
5a180 | 31 32 2d 36 2d 32 2d 31 30 29 31 35 2d 31 31 2d 33 2d 37 2d 31 33 2d 38 2d 34 2d 31 31 2f 68 31 | 12-6-2-10)15-11-3-7-13-8-4-11/h1 |
5a1a0 | 2d 38 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 6c fa 5e 46 50 01 00 00 09 63 72 65 61 74 65 | -8H2..updated_at.l.^FP....create |
5a1c0 | 64 5f 61 74 00 6a fa 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.j.^FP....default_fingerprin |
5a1e0 | 74 5f 73 69 7a 65 00 00 00 00 00 00 66 02 00 00 07 5f 69 64 00 56 16 1c 69 2b 72 ed 2b 40 00 01 | t_size......f...._id.V..i+r.+@.. |
5a200 | f7 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 85 01 | ..warnings.......fingerprints... |
5a220 | 00 00 04 4d 50 32 44 00 7a 01 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d | ...MP2D.z....0.....9;1-1-19;2-1- |
5a240 | 33 3b 32 2d 31 2d 39 3b 00 02 31 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 | 3;2-1-9;..1.....19;1-1-3;1-2-9;2 |
5a260 | 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d | -2-3;..2.....9;1-1-19;2-1-3;2-1- |
5a280 | 39 3b 00 02 33 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 | 9;..3.#...3;1-2-3;1-1-19;2-2-3;2 |
5a2a0 | 2d 32 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -2-9;2-1-11;..4.....3;1-2-3;2-2- |
5a2c0 | 33 3b 32 2d 31 2d 31 39 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | 3;2-1-19;..5.....3;1-2-3;2-2-3;. |
5a2e0 | 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 37 00 16 00 00 00 33 3b 31 | .6.....3;1-2-3;2-3-3;..7.....3;1 |
5a300 | 2d 33 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 1d 00 00 00 33 3b 31 2d 32 2d | -3-3;2-3-3;2-1-11;..8.....3;1-2- |
5a320 | 33 3b 31 2d 31 2d 31 31 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 39 00 10 00 00 00 31 31 | 3;1-1-11;2-4-3;2-1-19;..9.....11 |
5a340 | 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d | ;1-2-3;2-3-3;..10.....3;1-1-3;1- |
5a360 | 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 1-11;2-2-3;..11.....3;1-2-3;2-1- |
5a380 | 33 3b 32 2d 31 2d 31 31 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b | 3;2-1-11;..12.....3;1-2-3;2-3-3; |
5a3a0 | 00 00 00 02 73 6d 69 6c 65 73 00 16 00 00 00 4f 3d 4e 28 3d 4f 29 63 31 63 63 63 63 32 63 31 6e | ....smiles.....O=N(=O)c1cccc2c1n |
5a3c0 | 63 63 63 32 00 02 69 6e 63 68 69 00 3b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 36 4e 32 4f | ccc2..inchi.;...InChI=1S/C9H6N2O |
5a3e0 | 32 2f 63 31 32 2d 31 31 28 31 33 29 38 2d 35 2d 31 2d 33 2d 37 2d 34 2d 32 2d 36 2d 31 30 2d 39 | 2/c12-11(13)8-5-1-3-7-4-2-6-10-9 |
5a400 | 28 37 29 38 2f 68 31 2d 36 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 73 fa 5e 46 50 01 00 00 09 | (7)8/h1-6H..updated_at.s.^FP.... |
5a420 | 63 72 65 61 74 65 64 5f 61 74 00 71 fa 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at.q.^FP....default_fing |
5a440 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 03 02 00 00 07 5f 69 64 00 56 16 1c 69 2b | erprint_size..........._id.V..i+ |
5a460 | 72 ed 2b 40 00 01 f8 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.+@....warnings.......fingerpri |
5a480 | 6e 74 73 00 2d 01 00 00 04 4d 50 32 44 00 22 01 00 00 02 30 00 15 00 00 00 39 3b 31 2d 31 2d 33 | nts.-....MP2D."....0.....9;1-1-3 |
5a4a0 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 00 15 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 32 | ;2-1-3;2-1-9;..1.....3;1-1-3;1-2 |
5a4c0 | 2d 39 3b 32 2d 32 2d 33 3b 00 02 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 | -9;2-2-3;..2.....3;1-2-3;2-1-3;2 |
5a4e0 | 2d 32 2d 39 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 34 00 15 | -2-9;..3.....3;1-2-3;2-3-3;..4.. |
5a500 | 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 35 00 15 00 00 00 33 | ...3;1-3-3;2-3-3;2-1-9;..5.....3 |
5a520 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 34 2d 33 3b 00 02 36 00 15 00 00 00 39 3b 31 2d 32 | ;1-2-3;1-1-9;2-4-3;..6.....9;1-2 |
5a540 | 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | -3;2-3-3;2-1-9;..7.....3;1-2-3;2 |
5a560 | 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -2-3;2-1-9;..8.....3;1-2-3;2-2-3 |
5a580 | 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 0f 00 00 00 | ;..9.....3;1-2-3;2-2-3;..10..... |
5a5a0 | 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 13 00 00 00 4f 3d 63 | 3;1-2-3;2-3-3;....smiles.....O=c |
5a5c0 | 31 63 63 63 32 63 28 6f 31 29 63 63 63 63 32 00 02 69 6e 63 68 69 00 33 00 00 00 49 6e 43 68 49 | 1ccc2c(o1)cccc2..inchi.3...InChI |
5a5e0 | 3d 31 53 2f 43 39 48 36 4f 32 2f 63 31 30 2d 39 2d 36 2d 35 2d 37 2d 33 2d 31 2d 32 2d 34 2d 38 | =1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8 |
5a600 | 28 37 29 31 31 2d 39 2f 68 31 2d 36 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 7a fa 5e 46 50 01 | (7)11-9/h1-6H..updated_at.z.^FP. |
5a620 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 78 fa 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at.x.^FP....default_f |
5a640 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 03 01 00 00 07 5f 69 64 00 56 16 | ingerprint_size..........._id.V. |
5a660 | 1c 69 2b 72 ed 2b 40 00 01 f9 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | .i+r.+@....warnings.......finger |
5a680 | 70 72 69 6e 74 73 00 51 00 00 00 04 4d 50 32 44 00 46 00 00 00 02 30 00 11 00 00 00 31 35 3b 31 | prints.Q....MP2D.F....0.....15;1 |
5a6a0 | 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 31 00 0a 00 00 00 31 3b 31 2d 32 2d 31 35 3b 00 02 32 | -1-1;2-1-15;..1.....1;1-2-15;..2 |
5a6c0 | 00 11 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 | .....15;1-1-1;2-1-15;....smiles. |
5a6e0 | 06 00 00 00 43 6c 43 43 6c 00 02 69 6e 63 68 69 00 1c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 48 | ....ClCCl..inchi.....InChI=1S/CH |
5a700 | 32 43 6c 32 2f 63 32 2d 31 2d 33 2f 68 31 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 80 fa 5e | 2Cl2/c2-1-3/h1H2..updated_at...^ |
5a720 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 7f fa 5e 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at...^FP....defaul |
5a740 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 09 01 00 00 07 5f 69 64 | t_fingerprint_size..........._id |
5a760 | 00 56 16 1c 69 2b 72 ed 2b 40 00 01 fa 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..i+r.+@....warnings.......fin |
5a780 | 67 65 72 70 72 69 6e 74 73 00 58 00 00 00 04 4d 50 32 44 00 4d 00 00 00 02 30 00 11 00 00 00 31 | gerprints.X....MP2D.M....0.....1 |
5a7a0 | 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 31 00 11 00 00 00 31 3b 31 2d 31 2d 31 35 3b | 6;1-1-1;2-1-15;..1.....1;1-1-15; |
5a7c0 | 31 2d 31 2d 31 36 3b 00 02 32 00 11 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 36 3b 00 | 1-1-16;..2.....15;1-1-1;2-1-16;. |
5a7e0 | 00 00 02 73 6d 69 6c 65 73 00 05 00 00 00 46 43 43 6c 00 02 69 6e 63 68 69 00 1c 00 00 00 49 6e | ...smiles.....FCCl..inchi.....In |
5a800 | 43 68 49 3d 31 53 2f 43 48 32 43 6c 46 2f 63 32 2d 31 2d 33 2f 68 31 48 32 00 09 75 70 64 61 74 | ChI=1S/CH2ClF/c2-1-3/h1H2..updat |
5a820 | 65 64 5f 61 74 00 86 fa 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 85 fa 5e 46 50 01 | ed_at...^FP....created_at...^FP. |
5a840 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
5a860 | 00 2f 01 00 00 07 5f 69 64 00 56 16 1c 69 2b 72 ed 2b 40 00 01 fb 04 77 61 72 6e 69 6e 67 73 00 | ./...._id.V..i+r.+@....warnings. |
5a880 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 78 00 00 00 04 4d 50 32 44 00 6d 00 00 | ......fingerprints.x....MP2D.m.. |
5a8a0 | 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 39 3b 00 02 31 00 10 00 00 00 31 | ..0.....1;1-1-19;2-2-9;..1.....1 |
5a8c0 | 39 3b 31 2d 31 2d 31 3b 31 2d 32 2d 39 3b 00 02 32 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 | 9;1-1-1;1-2-9;..2.....9;1-1-19;2 |
5a8e0 | 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d | -1-1;2-1-9;..3.....9;1-1-19;2-1- |
5a900 | 31 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 09 00 00 00 43 4e 28 3d 4f 29 3d 4f 00 | 1;2-1-9;....smiles.....CN(=O)=O. |
5a920 | 02 69 6e 63 68 69 00 1e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 48 33 4e 4f 32 2f 63 31 2d 32 28 | .inchi.....InChI=1S/CH3NO2/c1-2( |
5a940 | 33 29 34 2f 68 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 8c fa 5e 46 50 01 00 00 09 63 72 | 3)4/h1H3..updated_at...^FP....cr |
5a960 | 65 61 74 65 64 5f 61 74 00 8b fa 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at...^FP....default_finger |
5a980 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 58 01 00 00 07 5f 69 64 00 56 16 1c 69 2b 72 ed | print_size......X...._id.V..i+r. |
5a9a0 | 2b 40 00 01 fc 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | +@....warnings.......fingerprint |
5a9c0 | 73 00 9b 00 00 00 04 4d 50 32 44 00 90 00 00 00 02 30 00 10 00 00 00 35 3b 31 2d 31 2d 31 3b 32 | s......MP2D......0.....5;1-1-1;2 |
5a9e0 | 2d 31 2d 31 39 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 35 3b 31 2d 31 2d 31 39 3b 32 2d 32 | -1-19;..1.....1;1-1-5;1-1-19;2-2 |
5aa00 | 2d 39 3b 00 02 32 00 16 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 32 2d 39 3b 32 2d 31 2d 35 3b | -9;..2.....19;1-1-1;1-2-9;2-1-5; |
5aa20 | 00 02 33 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 34 | ..3.....9;1-1-19;2-1-1;2-1-9;..4 |
5aa40 | 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d | .....9;1-1-19;2-1-1;2-1-9;....sm |
5aa60 | 69 6c 65 73 00 0a 00 00 00 4e 43 4e 28 3d 4f 29 3d 4f 00 02 69 6e 63 68 69 00 23 00 00 00 49 6e | iles.....NCN(=O)=O..inchi.#...In |
5aa80 | 43 68 49 3d 31 53 2f 43 48 34 4e 32 4f 32 2f 63 32 2d 31 2d 33 28 34 29 35 2f 68 31 2d 32 48 32 | ChI=1S/CH4N2O2/c2-1-3(4)5/h1-2H2 |
5aaa0 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 93 fa 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at...^FP....created_at |
5aac0 | 00 91 fa 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | ...^FP....default_fingerprint_si |
5aae0 | 7a 65 00 00 00 00 00 00 1f 01 00 00 07 5f 69 64 00 56 16 1c 69 2b 72 ed 2b 40 00 01 fd 04 77 61 | ze..........._id.V..i+r.+@....wa |
5ab00 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 69 00 00 00 04 4d | rnings.......fingerprints.i....M |
5ab20 | 50 32 44 00 5e 00 00 00 02 30 00 11 00 00 00 31 34 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 34 3b 00 | P2D.^....0.....14;1-1-1;2-2-14;. |
5ab40 | 02 31 00 0a 00 00 00 31 3b 31 2d 33 2d 31 34 3b 00 02 32 00 11 00 00 00 31 34 3b 31 2d 31 2d 31 | .1.....1;1-3-14;..2.....14;1-1-1 |
5ab60 | 3b 32 2d 32 2d 31 34 3b 00 02 33 00 11 00 00 00 31 34 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 34 3b | ;2-2-14;..3.....14;1-1-1;2-2-14; |
5ab80 | 00 00 00 02 73 6d 69 6c 65 73 00 0a 00 00 00 42 72 43 28 42 72 29 42 72 00 02 69 6e 63 68 69 00 | ....smiles.....BrC(Br)Br..inchi. |
5aba0 | 1c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 48 42 72 33 2f 63 32 2d 31 28 33 29 34 2f 68 31 48 00 | ....InChI=1S/CHBr3/c2-1(3)4/h1H. |
5abc0 | 09 75 70 64 61 74 65 64 5f 61 74 00 99 fa 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at...^FP....created_at. |
5abe0 | 97 fa 5e 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | ..^FP....default_fingerprint_siz |
5ac00 | 65 00 00 00 00 00 00 36 01 00 00 07 5f 69 64 00 56 16 1c 69 2b 72 ed 2b 40 00 01 fe 04 77 61 72 | e......6...._id.V..i+r.+@....war |
5ac20 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 7e 00 00 00 04 4d 50 | nings.......fingerprints.~....MP |
5ac40 | 32 44 00 73 00 00 00 02 30 00 18 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 34 3b 32 2d | 2D.s....0.....15;1-1-1;2-1-14;2- |
5ac60 | 31 2d 31 35 3b 00 02 31 00 11 00 00 00 31 3b 31 2d 31 2d 31 34 3b 31 2d 32 2d 31 35 3b 00 02 32 | 1-15;..1.....1;1-1-14;1-2-15;..2 |
5ac80 | 00 11 00 00 00 31 34 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 33 00 18 00 00 00 31 35 3b | .....14;1-1-1;2-2-15;..3.....15; |
5aca0 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 34 3b 32 2d 31 2d 31 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 0a | 1-1-1;2-1-14;2-1-15;....smiles.. |
5acc0 | 00 00 00 43 6c 43 28 42 72 29 43 6c 00 02 69 6e 63 68 69 00 1e 00 00 00 49 6e 43 68 49 3d 31 53 | ...ClC(Br)Cl..inchi.....InChI=1S |
5ace0 | 2f 43 48 42 72 43 6c 32 2f 63 32 2d 31 28 33 29 34 2f 68 31 48 00 09 75 70 64 61 74 65 64 5f 61 | /CHBrCl2/c2-1(3)4/h1H..updated_a |
5ad00 | 74 00 9f fa 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 9e fa 5e 46 50 01 00 00 10 64 | t...^FP....created_at...^FP....d |
5ad20 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 1f 01 00 | efault_fingerprint_size......... |
5ad40 | 00 07 5f 69 64 00 56 16 1c 69 2b 72 ed 2b 40 00 01 ff 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V..i+r.+@....warnings..... |
5ad60 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 69 00 00 00 04 4d 50 32 44 00 5e 00 00 00 02 30 00 | ..fingerprints.i....MP2D.^....0. |
5ad80 | 11 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 31 00 0a 00 00 00 31 3b 31 2d | ....15;1-1-1;2-2-15;..1.....1;1- |
5ada0 | 33 2d 31 35 3b 00 02 32 00 11 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 33 | 3-15;..2.....15;1-1-1;2-2-15;..3 |
5adc0 | 00 11 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 | .....15;1-1-1;2-2-15;....smiles. |
5ade0 | 0a 00 00 00 43 6c 43 28 43 6c 29 43 6c 00 02 69 6e 63 68 69 00 1c 00 00 00 49 6e 43 68 49 3d 31 | ....ClC(Cl)Cl..inchi.....InChI=1 |
5ae00 | 53 2f 43 48 43 6c 33 2f 63 32 2d 31 28 33 29 34 2f 68 31 48 00 09 75 70 64 61 74 65 64 5f 61 74 | S/CHCl3/c2-1(3)4/h1H..updated_at |
5ae20 | 00 a5 fa 5e 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a4 fa 5e 46 50 01 00 00 10 64 65 | ...^FP....created_at...^FP....de |
5ae40 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 98 02 00 00 | fault_fingerprint_size.......... |
5ae60 | 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 bd 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V..(+r.+@....warnings...... |
5ae80 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ae 01 00 00 04 4d 50 32 44 00 a3 01 00 00 02 30 00 10 | .fingerprints......MP2D......0.. |
5aea0 | 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d | ...15;1-1-1;2-1-8;..1.....1;1-1- |
5aec0 | 38 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 00 02 32 00 16 00 00 00 38 3b 31 2d 32 2d 31 3b 32 | 8;1-1-15;2-1-1;..2.....8;1-2-1;2 |
5aee0 | 2d 31 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d | -1-3;2-1-15;..3.....1;1-1-3;1-1- |
5af00 | 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d | 8;2-1-1;2-2-3;..4.....3;1-1-1;1- |
5af20 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | 2-3;2-2-3;2-1-8;..5.....3;1-2-3; |
5af40 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 2-1-1;2-2-3;..6.....3;1-2-3;2-1- |
5af60 | 31 3b 32 2d 32 2d 33 3b 00 02 37 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d | 1;2-2-3;..7.....3;1-1-1;1-2-3;2- |
5af80 | 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b | 2-3;2-1-8;..8.....3;1-2-3;2-1-1; |
5afa0 | 32 2d 32 2d 33 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | 2-2-3;..9.....3;1-2-3;2-1-1;2-2- |
5afc0 | 33 3b 00 02 31 30 00 1b 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 | 3;..10.....1;1-1-3;1-1-8;2-1-1;2 |
5afe0 | 2d 32 2d 33 3b 00 02 31 31 00 16 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d | -2-3;..11.....8;1-2-1;2-1-3;2-1- |
5b000 | 31 35 3b 00 02 31 32 00 16 00 00 00 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 | 15;..12.....1;1-1-8;1-1-15;2-1-1 |
5b020 | 3b 00 02 31 33 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 | ;..13.....15;1-1-1;2-1-8;....smi |
5b040 | 6c 65 73 00 15 00 00 00 43 6c 43 4f 43 63 31 63 63 63 28 63 63 31 29 43 4f 43 43 6c 00 02 69 6e | les.....ClCOCc1ccc(cc1)COCCl..in |
5b060 | 63 68 69 00 45 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 32 43 6c 32 4f 32 2f 63 31 31 | chi.E...InChI=1S/C10H12Cl2O2/c11 |
5b080 | 2d 37 2d 31 33 2d 35 2d 39 2d 31 2d 32 2d 31 30 28 34 2d 33 2d 39 29 36 2d 31 34 2d 38 2d 31 32 | -7-13-5-9-1-2-10(4-3-9)6-14-8-12 |
5b0a0 | 2f 68 31 2d 34 48 2c 35 2d 38 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 ac cc 65 46 50 01 00 | /h1-4H,5-8H2..updated_at...eFP.. |
5b0c0 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 aa cc 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at...eFP....default_fi |
5b0e0 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 17 03 00 00 07 5f 69 64 00 56 16 1e | ngerprint_size..........._id.V.. |
5b100 | 28 2b 72 ed 2b 40 00 02 be 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | (+r.+@....warnings.......fingerp |
5b120 | 72 69 6e 74 73 00 12 02 00 00 04 4d 50 32 44 00 07 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 | rints......MP2D......0.....1;1-1 |
5b140 | 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 | -1;2-1-8;..1.....1;1-1-1;1-1-8;2 |
5b160 | 2d 31 2d 33 3b 00 02 32 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 | -1-3;..2.....8;1-1-1;1-1-3;2-1-1 |
5b180 | 3b 32 2d 32 2d 33 3b 00 02 33 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 | ;2-2-3;..3."...3;1-2-3;1-1-8;2-1 |
5b1a0 | 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | -1;2-2-3;2-1-19;..4.....3;1-2-3; |
5b1c0 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-2-3;2-1-8;..5.....3;1-2-3;2-2- |
5b1e0 | 33 3b 32 2d 31 2d 36 3b 00 02 36 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d | 3;2-1-6;..6.....3;1-2-3;1-1-6;2- |
5b200 | 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | 1-2;2-2-3;..7.....3;1-2-3;2-2-3; |
5b220 | 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 38 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | 2-1-6;2-1-19;..8."...3;1-2-3;1-1 |
5b240 | 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 39 00 16 00 00 00 31 39 | -19;2-2-3;2-1-8;2-2-9;..9.....19 |
5b260 | 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 31 30 00 16 00 00 00 39 3b 31 2d | ;1-1-3;1-2-9;2-2-3;..10.....9;1- |
5b280 | 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 31 00 16 00 00 00 39 3b 31 2d 31 2d | 1-19;2-1-3;2-1-9;..11.....9;1-1- |
5b2a0 | 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 32 00 21 00 00 00 36 3b 31 2d 31 2d 32 3b | 19;2-1-3;2-1-9;..12.!...6;1-1-2; |
5b2c0 | 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 33 00 1b 00 00 | 1-1-3;2-1-1;2-2-3;2-1-9;..13.... |
5b2e0 | 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 33 3b 00 02 31 34 00 | .2;1-1-1;1-1-6;1-1-9;2-1-3;..14. |
5b300 | 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 35 00 15 00 00 | ....9;1-1-2;2-1-1;2-1-6;..15.... |
5b320 | 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 | .1;1-1-2;2-1-6;2-1-9;....smiles. |
5b340 | 1c 00 00 00 43 43 4f 63 31 63 63 63 28 63 63 31 4e 28 3d 4f 29 3d 4f 29 4e 3d 43 28 4f 29 43 00 | ....CCOc1ccc(cc1N(=O)=O)N=C(O)C. |
5b360 | 02 69 6e 63 68 69 00 59 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 32 4e 32 4f 34 2f 63 | .inchi.Y...InChI=1S/C10H12N2O4/c |
5b380 | 31 2d 33 2d 31 36 2d 31 30 2d 35 2d 34 2d 38 28 31 31 2d 37 28 32 29 31 33 29 36 2d 39 28 31 30 | 1-3-16-10-5-4-8(11-7(2)13)6-9(10 |
5b3a0 | 29 31 32 28 31 34 29 31 35 2f 68 34 2d 36 48 2c 33 48 32 2c 31 2d 32 48 33 2c 28 48 2c 31 31 2c | )12(14)15/h4-6H,3H2,1-2H3,(H,11, |
5b3c0 | 31 33 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 b3 cc 65 46 50 01 00 00 09 63 72 65 61 74 65 64 | 13)..updated_at...eFP....created |
5b3e0 | 5f 61 74 00 b2 cc 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...eFP....default_fingerprint |
5b400 | 5f 73 69 7a 65 00 00 00 00 00 00 2a 02 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 bf | _size......*...._id.V..(+r.+@... |
5b420 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 4b 01 00 | .warnings.......fingerprints.K.. |
5b440 | 00 04 4d 50 32 44 00 40 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b | ..MP2D.@....0.....1;1-1-8;2-1-3; |
5b460 | 00 02 31 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 | ..1.....8;1-1-1;1-1-3;2-2-3;..2. |
5b480 | 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 | ....3;1-2-3;1-1-8;2-1-1;2-2-3;.. |
5b4a0 | 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 15 00 | 3.....3;1-2-3;2-2-3;2-1-8;..4... |
5b4c0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 1b 00 00 00 33 3b | ..3;1-2-3;2-1-1;2-2-3;..5.....3; |
5b4e0 | 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 | 1-1-1;1-2-3;2-1-2;2-2-3;..6..... |
5b500 | 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d | 3;1-2-3;2-1-1;2-2-3;..7.....3;1- |
5b520 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 1b 00 00 00 31 3b 31 2d 31 2d 32 3b | 2-3;2-2-3;2-1-8;..8.....1;1-1-2; |
5b540 | 31 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 39 00 15 00 00 00 32 3b 31 2d 31 2d | 1-1-3;2-1-2;2-2-3;..9.....2;1-1- |
5b560 | 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 30 00 0f 00 00 00 32 3b 31 2d 31 2d 32 3b 32 | 1;1-1-2;2-1-3;..10.....2;1-1-2;2 |
5b580 | 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 11 00 00 00 43 4f 63 31 63 63 63 28 63 63 31 29 | -1-1;....smiles.....COc1ccc(cc1) |
5b5a0 | 43 43 3d 43 00 02 69 6e 63 68 69 00 3e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 32 4f | CC=C..inchi.>...InChI=1S/C10H12O |
5b5c0 | 2f 63 31 2d 33 2d 34 2d 39 2d 35 2d 37 2d 31 30 28 31 31 2d 32 29 38 2d 36 2d 39 2f 68 33 2c 35 | /c1-3-4-9-5-7-10(11-2)8-6-9/h3,5 |
5b5e0 | 2d 38 48 2c 31 2c 34 48 32 2c 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 ba cc 65 46 50 01 | -8H,1,4H2,2H3..updated_at...eFP. |
5b600 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 b9 cc 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at...eFP....default_f |
5b620 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 62 02 00 00 07 5f 69 64 00 56 16 | ingerprint_size......b...._id.V. |
5b640 | 1e 28 2b 72 ed 2b 40 00 02 c0 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | .(+r.+@....warnings.......finger |
5b660 | 70 72 69 6e 74 73 00 7a 01 00 00 04 4d 50 32 44 00 6f 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d | prints.z....MP2D.o....0.....1;1- |
5b680 | 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b | 1-8;2-1-3;..1.....8;1-1-1;1-1-3; |
5b6a0 | 32 2d 32 2d 33 3b 00 02 32 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d | 2-2-3;..2.....3;1-2-3;1-1-8;2-1- |
5b6c0 | 31 3b 32 2d 32 2d 33 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | 1;2-2-3;..3.....3;1-2-3;2-2-3;2- |
5b6e0 | 31 2d 38 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | 1-8;..4.....3;1-2-3;2-1-1;2-2-3; |
5b700 | 00 02 35 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d | ..5.!...3;1-1-1;1-2-3;2-1-2;2-2- |
5b720 | 33 3b 32 2d 31 2d 38 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | 3;2-1-8;..6.....3;1-2-3;2-1-1;2- |
5b740 | 32 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b | 2-3;..7.....3;1-2-3;2-2-3;2-1-8; |
5b760 | 00 02 38 00 21 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d | ..8.!...1;1-1-2;1-1-3;1-1-8;2-1- |
5b780 | 32 3b 32 2d 32 2d 33 3b 00 02 39 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d | 2;2-2-3;..9.....2;1-1-1;1-1-2;2- |
5b7a0 | 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 30 00 0f 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 | 1-3;2-1-8;..10.....2;1-1-2;2-1-1 |
5b7c0 | 3b 00 02 31 31 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 00 | ;..11.....8;1-1-1;2-1-2;2-1-3;.. |
5b7e0 | 00 02 73 6d 69 6c 65 73 00 14 00 00 00 43 4f 63 31 63 63 63 28 63 63 31 29 43 28 43 3d 43 29 4f | ..smiles.....COc1ccc(cc1)C(C=C)O |
5b800 | 00 02 69 6e 63 68 69 00 44 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 32 4f 32 2f 63 31 | ..inchi.D...InChI=1S/C10H12O2/c1 |
5b820 | 2d 33 2d 31 30 28 31 31 29 38 2d 34 2d 36 2d 39 28 31 32 2d 32 29 37 2d 35 2d 38 2f 68 33 2d 37 | -3-10(11)8-4-6-9(12-2)7-5-8/h3-7 |
5b840 | 2c 31 30 2d 31 31 48 2c 31 48 32 2c 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 c5 cc 65 46 | ,10-11H,1H2,2H3..updated_at...eF |
5b860 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c3 cc 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at...eFP....default |
5b880 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 c6 02 00 00 07 5f 69 64 00 | _fingerprint_size..........._id. |
5b8a0 | 56 16 1e 28 2b 72 ed 2b 40 00 02 c1 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..(+r.+@....warnings.......fing |
5b8c0 | 65 72 70 72 69 6e 74 73 00 ca 01 00 00 04 4d 50 32 44 00 bf 01 00 00 02 30 00 0f 00 00 00 31 3b | erprints......MP2D......0.....1; |
5b8e0 | 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 1-1-1;2-1-8;..1.....1;1-1-1;1-1- |
5b900 | 38 3b 32 2d 31 2d 33 3b 00 02 32 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d | 8;2-1-3;..2.....8;1-1-1;1-1-3;2- |
5b920 | 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b | 1-1;2-2-3;..3."...3;1-2-3;1-1-8; |
5b940 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 | 2-1-1;2-2-3;2-1-19;..4.....3;1-2 |
5b960 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | -3;2-2-3;2-1-8;..5.....3;1-2-3;2 |
5b980 | 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 36 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 | -2-3;2-1-6;..6.....3;1-2-3;1-1-6 |
5b9a0 | 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | ;2-1-2;2-2-3;..7.....3;1-2-3;2-2 |
5b9c0 | 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 38 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-1-6;2-1-19;..8.....3;1-2-3; |
5b9e0 | 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 10 00 00 00 31 39 3b 31 2d | 1-1-19;2-2-3;2-1-8;..9.....19;1- |
5ba00 | 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 21 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 | 1-3;2-2-3;..10.!...6;1-1-2;1-1-3 |
5ba20 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 31 00 1b 00 00 00 32 3b 31 2d | ;2-1-1;2-2-3;2-1-9;..11.....2;1- |
5ba40 | 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 33 3b 00 02 31 32 00 15 00 00 00 39 | 1-1;1-1-6;1-1-9;2-1-3;..12.....9 |
5ba60 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 33 00 15 00 00 00 31 3b 31 2d | ;1-1-2;2-1-1;2-1-6;..13.....1;1- |
5ba80 | 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 16 00 00 00 43 | 1-2;2-1-6;2-1-9;....smiles.....C |
5baa0 | 43 4f 63 31 63 63 63 28 63 63 31 4e 29 4e 3d 43 28 4f 29 43 00 02 69 6e 63 68 69 00 56 00 00 00 | COc1ccc(cc1N)N=C(O)C..inchi.V... |
5bac0 | 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 34 4e 32 4f 32 2f 63 31 2d 33 2d 31 34 2d 31 30 2d 35 | InChI=1S/C10H14N2O2/c1-3-14-10-5 |
5bae0 | 2d 34 2d 38 28 36 2d 39 28 31 30 29 31 31 29 31 32 2d 37 28 32 29 31 33 2f 68 34 2d 36 48 2c 33 | -4-8(6-9(10)11)12-7(2)13/h4-6H,3 |
5bb00 | 2c 31 31 48 32 2c 31 2d 32 48 33 2c 28 48 2c 31 32 2c 31 33 29 00 09 75 70 64 61 74 65 64 5f 61 | ,11H2,1-2H3,(H,12,13)..updated_a |
5bb20 | 74 00 d0 cc 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ce cc 65 46 50 01 00 00 10 64 | t...eFP....created_at...eFP....d |
5bb40 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 07 03 00 | efault_fingerprint_size......... |
5bb60 | 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 c2 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V..(+r.+@....warnings..... |
5bb80 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 0c 02 00 00 04 4d 50 32 44 00 01 02 00 00 02 30 00 | ..fingerprints......MP2D......0. |
5bba0 | 10 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 02 31 00 1d 00 00 00 32 3b 31 2d 31 | ....15;1-1-2;2-1-2;..1.....2;1-1 |
5bbc0 | 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 32 00 24 00 00 00 32 | -2;1-1-15;2-1-1;2-1-15;..2.$...2 |
5bbe0 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 | ;1-1-1;1-1-2;1-1-15;2-1-10;2-1-1 |
5bc00 | 35 3b 00 02 33 00 1d 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 32 3b 32 | 5;..3.....1;1-1-2;1-1-10;2-2-2;2 |
5bc20 | 2d 31 2d 31 35 3b 00 02 34 00 23 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 | -1-15;..4.#...10;1-1-1;1-1-2;2-1 |
5bc40 | 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 35 00 1d 00 00 00 32 3b 31 2d 31 2d 39 3b | -2;2-1-9;2-1-28;..5.....2;1-1-9; |
5bc60 | 31 2d 31 2d 31 30 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 00 02 36 00 17 00 00 00 39 3b 31 2d | 1-1-10;1-1-28;2-3-1;..6.....9;1- |
5bc80 | 31 2d 32 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 32 38 3b 00 02 37 00 23 00 00 00 32 38 3b 31 2d 32 | 1-2;2-1-10;2-1-28;..7.#...28;1-2 |
5bca0 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 30 3b 00 02 38 00 | -1;1-1-2;2-4-1;2-1-9;2-1-10;..8. |
5bcc0 | 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 | ....1;1-2-1;1-1-28;2-1-1;2-1-2;. |
5bce0 | 02 39 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 30 | .9.....1;1-1-1;2-1-1;2-1-28;..10 |
5bd00 | 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 31 00 1c | .....1;1-1-1;2-1-1;2-1-28;..11.. |
5bd20 | 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 | ...1;1-2-1;1-1-28;2-1-1;2-1-2;.. |
5bd40 | 31 32 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 33 | 12.....1;1-1-1;2-1-1;2-1-28;..13 |
5bd60 | 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 34 00 16 | .....1;1-1-1;2-1-1;2-1-28;..14.. |
5bd80 | 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c | ...15;1-1-2;2-1-1;2-1-2;....smil |
5bda0 | 65 73 00 1e 00 00 00 43 6c 43 3d 43 28 43 53 43 28 3d 4f 29 4e 28 43 28 43 29 43 29 43 28 43 29 | es.....ClC=C(CSC(=O)N(C(C)C)C(C) |
5bdc0 | 43 29 43 6c 00 02 69 6e 63 68 69 00 4d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 37 43 | C)Cl..inchi.M...InChI=1S/C10H17C |
5bde0 | 6c 32 4e 4f 53 2f 63 31 2d 37 28 32 29 31 33 28 38 28 33 29 34 29 31 30 28 31 34 29 31 35 2d 36 | l2NOS/c1-7(2)13(8(3)4)10(14)15-6 |
5be00 | 2d 39 28 31 32 29 35 2d 31 31 2f 68 35 2c 37 2d 38 48 2c 36 48 32 2c 31 2d 34 48 33 00 09 75 70 | -9(12)5-11/h5,7-8H,6H2,1-4H3..up |
5be20 | 64 61 74 65 64 5f 61 74 00 d6 cc 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d5 cc 65 | dated_at...eFP....created_at...e |
5be40 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
5be60 | 00 00 00 00 7a 03 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 c3 04 77 61 72 6e 69 6e | ....z...._id.V..(+r.+@....warnin |
5be80 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 76 02 00 00 04 4d 50 32 44 00 | gs.......fingerprints.v....MP2D. |
5bea0 | 6b 02 00 00 02 30 00 16 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b | k....0.....15;1-1-1;2-1-1;2-1-2; |
5bec0 | 00 02 31 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 32 | ..1."...1;1-1-1;1-1-2;1-1-15;2-2 |
5bee0 | 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 | -1;2-1-2;..2.....2;1-1-1;1-1-2;2 |
5bf00 | 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 33 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -2-1;2-1-15;..3.....2;1-1-1;1-1- |
5bf20 | 32 3b 32 2d 33 2d 31 3b 00 02 34 00 22 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d | 2;2-3-1;..4."...1;1-2-1;1-1-2;2- |
5bf40 | 33 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 35 00 1c 00 00 00 31 3b 31 2d 33 2d 31 | 3-1;2-2-2;2-1-15;..5.....1;1-3-1 |
5bf60 | 3b 32 2d 32 2d 31 3b 32 2d 33 2d 32 3b 32 2d 32 2d 31 35 3b 00 02 36 00 29 00 00 00 31 3b 31 2d | ;2-2-1;2-3-2;2-2-15;..6.)...1;1- |
5bf80 | 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 33 | 2-1;1-1-2;1-1-15;2-3-1;2-1-2;2-3 |
5bfa0 | 2d 31 35 3b 00 02 37 00 16 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 | -15;..7.....15;1-1-1;2-2-1;2-1-2 |
5bfc0 | 3b 00 02 38 00 23 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d | ;..8.#...2;1-1-1;1-1-2;1-1-15;2- |
5bfe0 | 33 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 39 00 23 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | 3-1;2-2-15;..9.#...2;1-1-1;1-1-2 |
5c000 | 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 31 30 00 29 00 00 00 31 3b | ;1-1-15;2-3-1;2-2-15;..10.)...1; |
5c020 | 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 32 | 1-2-1;1-1-2;1-1-15;2-2-1;2-2-2;2 |
5c040 | 2d 33 2d 31 35 3b 00 02 31 31 00 23 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 32 2d 31 35 3b 32 2d | -3-15;..11.#...1;1-2-1;1-2-15;2- |
5c060 | 32 2d 31 3b 32 2d 32 2d 32 3b 32 2d 32 2d 31 35 3b 00 02 31 32 00 17 00 00 00 31 35 3b 31 2d 31 | 2-1;2-2-2;2-2-15;..12.....15;1-1 |
5c080 | 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 31 33 00 17 00 00 00 31 35 3b 31 2d 31 2d | -1;2-2-1;2-1-15;..13.....15;1-1- |
5c0a0 | 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 31 34 00 16 00 00 00 31 35 3b 31 2d 31 2d 31 | 1;2-2-1;2-1-15;..14.....15;1-1-1 |
5c0c0 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 35 00 16 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 | ;2-2-1;2-1-2;..15.....15;1-1-2;2 |
5c0e0 | 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 36 00 16 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 | -1-1;2-1-2;..16.....15;1-1-2;2-1 |
5c100 | 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 2b 00 00 00 43 6c 43 31 43 3d 43 43 | -1;2-1-2;....smiles.+...ClC1C=CC |
5c120 | 32 43 31 43 31 28 43 6c 29 43 28 3d 43 28 43 32 28 43 31 28 43 6c 29 43 6c 29 43 6c 29 43 6c 29 | 2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl) |
5c140 | 43 6c 00 02 69 6e 63 68 69 00 49 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 35 43 6c 37 2f | Cl..inchi.I...InChI=1S/C10H5Cl7/ |
5c160 | 63 31 31 2d 34 2d 32 2d 31 2d 33 2d 35 28 34 29 39 28 31 35 29 37 28 31 33 29 36 28 31 32 29 38 | c11-4-2-1-3-5(4)9(15)7(13)6(12)8 |
5c180 | 28 33 2c 31 34 29 31 30 28 39 2c 31 36 29 31 37 2f 68 31 2d 35 48 00 09 75 70 64 61 74 65 64 5f | (3,14)10(9,16)17/h1-5H..updated_ |
5c1a0 | 61 74 00 de cc 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 dc cc 65 46 50 01 00 00 10 | at...eFP....created_at...eFP.... |
5c1c0 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 8d 03 | default_fingerprint_size........ |
5c1e0 | 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 c4 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V..(+r.+@....warnings.... |
5c200 | 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 7f 02 00 00 04 4d 50 32 44 00 74 02 00 00 02 30 | ...fingerprints......MP2D.t....0 |
5c220 | 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 00 1d 00 00 00 31 3b 31 2d | .....15;1-1-1;2-2-1;..1.....1;1- |
5c240 | 32 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 32 00 16 00 00 00 | 2-1;1-1-15;2-2-1;2-1-15;..2..... |
5c260 | 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 33 00 1c 00 00 00 31 3b 31 | 1;1-2-1;2-3-1;2-1-15;..3.....1;1 |
5c280 | 2d 33 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 34 00 1c 00 00 00 | -3-1;2-4-1;2-1-2;2-1-15;..4..... |
5c2a0 | 31 3b 31 2d 33 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 31 35 3b 00 02 35 00 1d | 1;1-3-1;2-4-1;2-1-2;2-2-15;..5.. |
5c2c0 | 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d 31 3b 32 2d 31 2d 31 35 3b 00 | ...1;1-2-1;1-1-15;2-3-1;2-1-15;. |
5c2e0 | 02 36 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 37 00 29 00 00 00 31 3b | .6.....15;1-1-1;2-2-1;..7.)...1; |
5c300 | 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 | 1-2-1;1-1-2;1-1-15;2-3-1;2-1-2;2 |
5c320 | 2d 33 2d 31 35 3b 00 02 38 00 23 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 32 2d 31 35 3b 32 2d 32 | -3-15;..8.#...1;1-2-1;1-2-15;2-2 |
5c340 | 2d 31 3b 32 2d 32 2d 32 3b 32 2d 32 2d 31 35 3b 00 02 39 00 29 00 00 00 31 3b 31 2d 32 2d 31 3b | -1;2-2-2;2-2-15;..9.)...1;1-2-1; |
5c360 | 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 33 2d 31 35 3b | 1-1-2;1-1-15;2-3-1;2-1-2;2-3-15; |
5c380 | 00 02 31 30 00 16 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 | ..10.....15;1-1-1;2-2-1;2-1-2;.. |
5c3a0 | 31 31 00 23 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d | 11.#...2;1-1-1;1-1-2;1-1-15;2-3- |
5c3c0 | 31 3b 32 2d 32 2d 31 35 3b 00 02 31 32 00 23 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | 1;2-2-15;..12.#...2;1-1-1;1-1-2; |
5c3e0 | 31 2d 31 2d 31 35 3b 32 2d 33 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 31 33 00 16 00 00 00 31 35 3b | 1-1-15;2-3-1;2-2-15;..13.....15; |
5c400 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 34 00 16 00 00 00 31 35 3b 31 2d | 1-1-2;2-1-1;2-1-2;..14.....15;1- |
5c420 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 35 00 17 00 00 00 31 35 3b 31 2d 31 2d | 1-2;2-1-1;2-1-2;..15.....15;1-1- |
5c440 | 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 31 36 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 | 1;2-2-1;2-1-15;..16.....15;1-1-1 |
5c460 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 31 37 00 16 00 00 00 31 35 3b 31 2d 31 2d 31 3b | ;2-2-1;2-1-15;..17.....15;1-1-1; |
5c480 | 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 2e 00 00 00 43 6c 43 31 43 | 2-2-1;2-1-2;....smiles.....ClC1C |
5c4a0 | 43 32 43 28 43 31 43 6c 29 43 31 28 43 28 43 32 28 43 6c 29 43 28 3d 43 31 43 6c 29 43 6c 29 28 | C2C(C1Cl)C1(C(C2(Cl)C(=C1Cl)Cl)( |
5c4c0 | 43 6c 29 43 6c 29 43 6c 00 02 69 6e 63 68 69 00 50 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 | Cl)Cl)Cl..inchi.P...InChI=1S/C10 |
5c4e0 | 48 36 43 6c 38 2f 63 31 31 2d 33 2d 31 2d 32 2d 34 28 35 28 33 29 31 32 29 39 28 31 36 29 37 28 | H6Cl8/c11-3-1-2-4(5(3)12)9(16)7( |
5c500 | 31 34 29 36 28 31 33 29 38 28 32 2c 31 35 29 31 30 28 39 2c 31 37 29 31 38 2f 68 32 2d 35 48 2c | 14)6(13)8(2,15)10(9,17)18/h2-5H, |
5c520 | 31 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 e6 cc 65 46 50 01 00 00 09 63 72 65 61 74 65 64 | 1H2..updated_at...eFP....created |
5c540 | 5f 61 74 00 e4 cc 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...eFP....default_fingerprint |
5c560 | 5f 73 69 7a 65 00 00 00 00 00 00 6c 03 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 c5 | _size......l...._id.V..(+r.+@... |
5c580 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 5e 02 00 | .warnings.......fingerprints.^.. |
5c5a0 | 00 04 4d 50 32 44 00 53 02 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 | ..MP2D.S....0.....15;1-1-1;2-1-1 |
5c5c0 | 3b 00 02 31 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 31 3b 32 2d | ;..1.....1;1-1-1;1-1-15;2-2-1;2- |
5c5e0 | 31 2d 32 3b 00 02 32 00 22 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b | 1-2;..2."...1;1-3-1;1-1-2;2-3-1; |
5c600 | 32 2d 31 2d 32 3b 32 2d 33 2d 31 35 3b 00 02 33 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-1-2;2-3-15;..3.....1;1-1-1;1-1 |
5c620 | 2d 31 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 | -15;2-2-1;2-1-2;..4.....15;1-1-1 |
5c640 | 3b 32 2d 31 2d 31 3b 00 02 35 00 1c 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 35 | ;2-1-1;..5.....2;1-2-1;1-1-2;2-5 |
5c660 | 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 36 00 0f 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b | -1;2-1-15;..6.....2;1-1-2;2-2-1; |
5c680 | 00 02 37 00 29 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 33 | ..7.)...1;1-2-1;1-1-2;1-1-15;2-3 |
5c6a0 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 33 2d 31 35 3b 00 02 38 00 23 00 00 00 31 3b 31 2d 32 2d 31 3b | -1;2-1-2;2-3-15;..8.#...1;1-2-1; |
5c6c0 | 31 2d 32 2d 31 35 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 31 35 3b 00 02 39 00 23 00 | 1-2-15;2-3-1;2-1-2;2-2-15;..9.#. |
5c6e0 | 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 33 | ..1;1-3-1;1-1-15;2-4-1;2-1-2;2-3 |
5c700 | 2d 31 35 3b 00 02 31 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 31 | -15;..10.....15;1-1-1;2-3-1;..11 |
5c720 | 00 1d 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d 31 3b 32 2d 32 2d 31 35 | .....1;1-2-1;1-1-15;2-3-1;2-2-15 |
5c740 | 3b 00 02 31 32 00 23 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 31 3b 32 | ;..12.#...1;1-2-1;1-1-15;2-2-1;2 |
5c760 | 2d 31 2d 32 3b 32 2d 32 2d 31 35 3b 00 02 31 33 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d | -1-2;2-2-15;..13.....15;1-1-1;2- |
5c780 | 32 2d 31 3b 00 02 31 34 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 35 | 2-1;..14.....15;1-1-1;2-2-1;..15 |
5c7a0 | 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 31 36 00 | .....15;1-1-1;2-2-1;2-1-15;..16. |
5c7c0 | 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 31 37 00 16 | ....15;1-1-1;2-2-1;2-1-15;..17.. |
5c7e0 | 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c | ...15;1-1-1;2-2-1;2-1-2;....smil |
5c800 | 65 73 00 2e 00 00 00 43 6c 43 43 31 28 43 43 6c 29 43 28 3d 43 29 43 32 28 43 28 43 31 28 43 6c | es.....ClCC1(CCl)C(=C)C2(C(C1(Cl |
5c820 | 29 43 28 43 32 43 6c 29 43 6c 29 28 43 6c 29 43 6c 29 43 6c 00 02 69 6e 63 68 69 00 50 00 00 00 | )C(C2Cl)Cl)(Cl)Cl)Cl..inchi.P... |
5c840 | 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 38 43 6c 38 2f 63 31 2d 34 2d 37 28 32 2d 31 31 2c 33 2d | InChI=1S/C10H8Cl8/c1-4-7(2-11,3- |
5c860 | 31 32 29 39 28 31 36 29 36 28 31 34 29 35 28 31 33 29 38 28 34 2c 31 35 29 31 30 28 39 2c 31 37 | 12)9(16)6(14)5(13)8(4,15)10(9,17 |
5c880 | 29 31 38 2f 68 35 2d 36 48 2c 31 2d 33 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 ed cc 65 46 | )18/h5-6H,1-3H2..updated_at...eF |
5c8a0 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 eb cc 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at...eFP....default |
5c8c0 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 8f 03 00 00 07 5f 69 64 00 | _fingerprint_size..........._id. |
5c8e0 | 56 16 1e 28 2b 72 ed 2b 40 00 02 c6 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..(+r.+@....warnings.......fing |
5c900 | 65 72 70 72 69 6e 74 73 00 85 02 00 00 04 4d 50 32 44 00 7a 02 00 00 02 30 00 10 00 00 00 31 35 | erprints......MP2D.z....0.....15 |
5c920 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 02 31 00 1c 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 | ;1-1-2;2-1-2;..1.....2;1-1-2;1-1 |
5c940 | 2d 31 35 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 00 29 00 00 00 32 3b 31 2d 31 2d 32 3b | -15;2-1-3;2-1-9;..2.)...2;1-1-2; |
5c960 | 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 32 3b 32 2d 31 2d 31 35 3b | 1-1-3;1-1-9;2-2-3;2-1-12;2-1-15; |
5c980 | 00 02 33 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d | ..3.(...3;1-1-2;1-2-3;2-1-2;2-2- |
5c9a0 | 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 35 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;2-1-9;2-1-15;..4.....3;1-2-3;2 |
5c9c0 | 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 35 00 1d 00 00 00 33 3b 31 2d 32 2d | -1-2;2-2-3;2-1-15;..5.....3;1-2- |
5c9e0 | 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 36 00 10 00 00 00 31 35 | 3;1-1-15;2-2-3;2-1-15;..6.....15 |
5ca00 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | ;1-1-3;2-2-3;..7.....3;1-2-3;1-1 |
5ca20 | 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 | -15;2-2-3;2-1-15;..8.....3;1-2-3 |
5ca40 | 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 39 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | ;2-2-3;2-2-15;..9.....3;1-2-3;1- |
5ca60 | 31 2d 31 35 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 30 00 10 00 00 00 31 35 3b 31 2d 31 | 1-15;2-1-2;2-2-3;..10.....15;1-1 |
5ca80 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | -3;2-2-3;..11.....15;1-1-3;2-2-3 |
5caa0 | 3b 00 02 31 32 00 28 00 00 00 39 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 32 3b 32 | ;..12.(...9;1-1-2;1-1-12;2-1-2;2 |
5cac0 | 2d 31 2d 33 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 33 00 1c 00 00 00 31 32 3b 31 2d 32 | -1-3;2-2-8;2-1-9;..13.....12;1-2 |
5cae0 | 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 34 00 16 00 00 00 39 3b | -8;1-2-9;2-2-1;2-1-2;..14.....9; |
5cb00 | 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 35 00 1c 00 00 00 38 3b 31 2d | 1-1-12;2-2-8;2-1-9;..15.....8;1- |
5cb20 | 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 31 36 00 10 00 00 00 | 1-1;1-1-12;2-1-8;2-2-9;..16..... |
5cb40 | 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 37 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b | 1;1-1-8;2-1-12;..17.....8;1-1-1; |
5cb60 | 31 2d 31 2d 31 32 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 31 38 00 10 00 00 00 31 3b 31 2d | 1-1-12;2-1-8;2-2-9;..18.....1;1- |
5cb80 | 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 26 00 00 00 43 6c 43 3d 43 28 | 1-8;2-1-12;....smiles.&...ClC=C( |
5cba0 | 63 31 63 63 28 43 6c 29 63 28 63 63 31 43 6c 29 43 6c 29 4f 50 28 3d 4f 29 28 4f 43 29 4f 43 00 | c1cc(Cl)c(cc1Cl)Cl)OP(=O)(OC)OC. |
5cbc0 | 02 69 6e 63 68 69 00 54 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 39 43 6c 34 4f 34 50 2f | .inchi.T...InChI=1S/C10H9Cl4O4P/ |
5cbe0 | 63 31 2d 31 36 2d 31 39 28 31 35 2c 31 37 2d 32 29 31 38 2d 31 30 28 35 2d 31 31 29 36 2d 33 2d | c1-16-19(15,17-2)18-10(5-11)6-3- |
5cc00 | 38 28 31 33 29 39 28 31 34 29 34 2d 37 28 36 29 31 32 2f 68 33 2d 35 48 2c 31 2d 32 48 33 00 09 | 8(13)9(14)4-7(6)12/h3-5H,1-2H3.. |
5cc20 | 75 70 64 61 74 65 64 5f 61 74 00 fd cc 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 fb | updated_at...eFP....created_at.. |
5cc40 | cc 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | .eFP....default_fingerprint_size |
5cc60 | 00 00 00 00 00 00 53 03 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 c7 04 77 61 72 6e | ......S...._id.V..(+r.+@....warn |
5cc80 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 46 02 00 00 04 4d 50 32 | ings.......fingerprints.F....MP2 |
5cca0 | 44 00 3b 02 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 00 | D.;....0.....15;1-1-1;2-2-1;..1. |
5ccc0 | 23 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 | #...1;1-2-1;1-1-15;2-3-1;2-1-2;2 |
5cce0 | 2d 32 2d 31 35 3b 00 02 32 00 23 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 34 | -2-15;..2.#...1;1-3-1;1-1-15;2-4 |
5cd00 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 33 2d 31 35 3b 00 02 33 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 | -1;2-1-2;2-3-15;..3.....15;1-1-1 |
5cd20 | 3b 32 2d 33 2d 31 3b 00 02 34 00 22 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 | ;2-3-1;..4."...1;1-3-1;1-1-2;2-3 |
5cd40 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 35 00 1c 00 00 00 32 3b 31 2d 32 2d 31 3b | -1;2-1-2;2-1-15;..5.....2;1-2-1; |
5cd60 | 31 2d 31 2d 32 3b 32 2d 35 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 36 00 0f 00 00 00 32 3b 31 2d 31 | 1-1-2;2-5-1;2-1-15;..6.....2;1-1 |
5cd80 | 2d 32 3b 32 2d 32 2d 31 3b 00 02 37 00 29 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 | -2;2-2-1;..7.)...1;1-2-1;1-1-2;1 |
5cda0 | 2d 31 2d 31 35 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 33 2d 31 35 3b 00 02 38 00 16 00 00 | -1-15;2-3-1;2-1-2;2-3-15;..8.... |
5cdc0 | 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 39 00 23 00 00 00 31 3b | .15;1-1-1;2-2-1;2-1-2;..9.#...1; |
5cde0 | 31 2d 32 2d 31 3b 31 2d 32 2d 31 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 33 2d 31 35 3b | 1-2-1;1-2-15;2-2-1;2-1-2;2-3-15; |
5ce00 | 00 02 31 30 00 1d 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 32 2d 31 35 3b 32 2d 33 2d 31 3b 32 2d | ..10.....1;1-2-1;1-2-15;2-3-1;2- |
5ce20 | 33 2d 31 35 3b 00 02 31 31 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 | 3-15;..11.....15;1-1-1;2-2-1;2-1 |
5ce40 | 2d 31 35 3b 00 02 31 32 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d | -15;..12.....15;1-1-1;2-2-1;2-1- |
5ce60 | 31 35 3b 00 02 31 33 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 | 15;..13.....15;1-1-1;2-2-1;2-1-1 |
5ce80 | 35 3b 00 02 31 34 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 | 5;..14.....15;1-1-1;2-2-1;2-1-15 |
5cea0 | 3b 00 02 31 35 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 | ;..15.....1;1-1-1;2-2-1;2-1-2;.. |
5cec0 | 31 36 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 | 16.....1;1-1-1;2-2-1;2-1-2;....s |
5cee0 | 6d 69 6c 65 73 00 2e 00 00 00 43 6c 43 31 43 32 28 43 6c 29 43 28 43 28 3d 43 29 43 31 28 43 6c | miles.....ClC1C2(Cl)C(C(=C)C1(Cl |
5cf00 | 29 43 28 43 32 28 43 6c 29 43 6c 29 28 43 6c 29 43 6c 29 28 43 29 43 00 02 69 6e 63 68 69 00 4f | )C(C2(Cl)Cl)(Cl)Cl)(C)C..inchi.O |
5cf20 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 39 43 6c 37 2f 63 31 2d 34 2d 36 28 32 2c 33 29 | ...InChI=1S/C10H9Cl7/c1-4-6(2,3) |
5cf40 | 38 28 31 33 29 35 28 31 31 29 37 28 34 2c 31 32 29 39 28 31 34 2c 31 35 29 31 30 28 38 2c 31 36 | 8(13)5(11)7(4,12)9(14,15)10(8,16 |
5cf60 | 29 31 37 2f 68 35 48 2c 31 48 32 2c 32 2d 33 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 04 cd | )17/h5H,1H2,2-3H3..updated_at... |
5cf80 | 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 02 cd 65 46 50 01 00 00 10 64 65 66 61 75 | eFP....created_at...eFP....defau |
5cfa0 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 f2 01 00 00 07 5f 69 | lt_fingerprint_size..........._i |
5cfc0 | 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 c8 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..(+r.+@....warnings.......fi |
5cfe0 | 6e 67 65 72 70 72 69 6e 74 73 00 19 01 00 00 04 4d 50 32 44 00 0e 01 00 00 02 30 00 10 00 00 00 | ngerprints......MP2D......0..... |
5d000 | 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 19;1-1-3;2-2-3;..1.....3;1-2-3;1 |
5d020 | 2d 31 2d 31 39 3b 32 2d 33 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -1-19;2-3-3;..2.....3;1-2-3;2-2- |
5d040 | 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | 3;2-1-19;..3.....3;1-2-3;2-2-3;. |
5d060 | 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 | .4.....3;1-2-3;2-3-3;..5.....3;1 |
5d080 | 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 | -3-3;2-4-3;..6.....3;1-3-3;2-4-3 |
5d0a0 | 3b 32 2d 31 2d 31 39 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 | ;2-1-19;..7.....3;1-2-3;2-3-3;.. |
5d0c0 | 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d | 8.....3;1-2-3;2-2-3;..9.....3;1- |
5d0e0 | 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 | 2-3;2-2-3;..10.....3;1-2-3;2-3-3 |
5d100 | 3b 00 00 00 02 73 6d 69 6c 65 73 00 10 00 00 00 4e 63 31 63 63 63 63 32 63 31 63 63 63 63 32 00 | ;....smiles.....Nc1cccc2c1cccc2. |
5d120 | 02 69 6e 63 68 69 00 39 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 39 4e 2f 63 31 31 2d 31 | .inchi.9...InChI=1S/C10H9N/c11-1 |
5d140 | 30 2d 37 2d 33 2d 35 2d 38 2d 34 2d 31 2d 32 2d 36 2d 39 28 38 29 31 30 2f 68 31 2d 37 48 2c 31 | 0-7-3-5-8-4-1-2-6-9(8)10/h1-7H,1 |
5d160 | 31 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 0e cd 65 46 50 01 00 00 09 63 72 65 61 74 65 64 | 1H2..updated_at...eFP....created |
5d180 | 5f 61 74 00 0d cd 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...eFP....default_fingerprint |
5d1a0 | 5f 73 69 7a 65 00 00 00 00 00 00 5b 03 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 c9 | _size......[...._id.V..(+r.+@... |
5d1c0 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 4c 02 00 | .warnings.......fingerprints.L.. |
5d1e0 | 00 04 4d 50 32 44 00 41 02 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b | ..MP2D.A....0.....8;1-1-1;2-1-1; |
5d200 | 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 39 3b 00 02 32 | ..1.....1;1-1-1;1-1-8;2-1-19;..2 |
5d220 | 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b | ."...1;1-1-1;1-1-19;2-1-1;2-1-3; |
5d240 | 32 2d 31 2d 38 3b 00 02 33 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 | 2-1-8;..3.....19;1-2-1;1-1-3;2-2 |
5d260 | 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b | -1;2-2-3;..4.....3;1-2-3;1-1-19; |
5d280 | 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-2-1;2-2-3;..5.....3;1-2-3;2-2- |
5d2a0 | 33 3b 32 2d 31 2d 31 39 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 3;2-1-19;..6.....3;1-2-3;2-2-3;2 |
5d2c0 | 2d 31 2d 31 39 3b 00 02 37 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 | -1-19;..7.#...3;1-2-3;1-1-19;2-1 |
5d2e0 | 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 38 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b | -1;2-2-3;2-1-19;..8.#...3;1-2-3; |
5d300 | 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 39 00 16 00 | 1-1-19;2-2-3;2-2-9;2-1-19;..9... |
5d320 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 39 3b 00 02 31 30 00 16 00 00 00 | ..3;1-2-3;2-2-3;2-2-19;..10..... |
5d340 | 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 31 31 00 16 00 00 00 39 3b | 19;1-1-3;1-2-9;2-2-3;..11.....9; |
5d360 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 32 00 16 00 00 00 39 3b 31 2d | 1-1-19;2-1-3;2-1-9;..12.....9;1- |
5d380 | 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 33 00 16 00 00 00 31 39 3b 31 2d 31 | 1-19;2-1-3;2-1-9;..13.....19;1-1 |
5d3a0 | 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 10 00 00 00 31 3b 31 2d 31 2d 31 39 | -1;1-1-3;2-2-3;..14.....1;1-1-19 |
5d3c0 | 3b 32 2d 31 2d 33 3b 00 02 31 35 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 | ;2-1-3;..15."...1;1-1-1;1-1-19;2 |
5d3e0 | 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 36 00 16 00 00 00 31 3b 31 2d 31 2d | -1-1;2-1-3;2-1-8;..16.....1;1-1- |
5d400 | 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 39 3b 00 02 31 37 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b | 1;1-1-8;2-1-19;..17.....8;1-1-1; |
5d420 | 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 1f 00 00 00 4f 43 43 4e 28 63 31 63 63 63 28 | 2-1-1;....smiles.....OCCN(c1ccc( |
5d440 | 63 28 63 31 29 4e 28 3d 4f 29 3d 4f 29 4e 43 29 43 43 4f 00 02 69 6e 63 68 69 00 60 00 00 00 49 | c(c1)N(=O)=O)NC)CCO..inchi.`...I |
5d460 | 6e 43 68 49 3d 31 53 2f 43 31 31 48 31 37 4e 33 4f 34 2f 63 31 2d 31 32 2d 31 30 2d 33 2d 32 2d | nChI=1S/C11H17N3O4/c1-12-10-3-2- |
5d480 | 39 28 38 2d 31 31 28 31 30 29 31 34 28 31 37 29 31 38 29 31 33 28 34 2d 36 2d 31 35 29 35 2d 37 | 9(8-11(10)14(17)18)13(4-6-15)5-7 |
5d4a0 | 2d 31 36 2f 68 32 2d 33 2c 38 2c 31 32 2c 31 35 2d 31 36 48 2c 34 2d 37 48 32 2c 31 48 33 00 09 | -16/h2-3,8,12,15-16H,4-7H2,1H3.. |
5d4c0 | 75 70 64 61 74 65 64 5f 61 74 00 3b cd 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 39 | updated_at.;.eFP....created_at.9 |
5d4e0 | cd 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | .eFP....default_fingerprint_size |
5d500 | 00 00 00 00 00 00 f3 02 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 ca 04 77 61 72 6e | ..........._id.V..(+r.+@....warn |
5d520 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 f7 01 00 00 04 4d 50 32 | ings.......fingerprints......MP2 |
5d540 | 44 00 ec 01 00 00 02 30 00 16 00 00 00 36 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 | D......0.....6;1-1-3;2-1-3;2-1-1 |
5d560 | 31 3b 00 02 31 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 31 3b 32 | 1;..1.#...3;1-1-3;1-1-6;1-1-11;2 |
5d580 | 2d 32 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | -2-3;2-1-13;..2.....3;1-2-3;2-1- |
5d5a0 | 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 31 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;2-1-6;2-1-11;..3.....3;1-2-3;2 |
5d5c0 | 2d 33 2d 33 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 33 2d 33 3b 32 2d 32 2d 31 | -3-3;..4.....3;1-3-3;2-3-3;2-2-1 |
5d5e0 | 31 3b 00 02 35 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 32 2d 31 31 3b 32 2d 34 2d 33 3b 32 | 1;..5.....3;1-1-3;1-2-11;2-4-3;2 |
5d600 | 2d 32 2d 31 33 3b 00 02 36 00 24 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d | -2-13;..6.$...11;1-2-3;1-1-13;2- |
5d620 | 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 31 3b 00 02 37 00 11 00 00 00 31 33 3b 31 2d 31 2d | 2-3;2-1-6;2-1-11;..7.....13;1-1- |
5d640 | 31 31 3b 32 2d 32 2d 33 3b 00 02 38 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 | 11;2-2-3;..8.....11;1-2-3;1-1-13 |
5d660 | 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 39 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b | ;2-3-3;2-1-11;..9.....13;1-1-11; |
5d680 | 32 2d 32 2d 33 3b 00 02 31 30 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d | 2-2-3;..10.....3;1-2-3;1-1-11;2- |
5d6a0 | 34 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d | 4-3;2-1-13;..11.....3;1-3-3;2-4- |
5d6c0 | 33 3b 32 2d 31 2d 31 31 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b | 3;2-1-11;..12.....3;1-2-3;2-3-3; |
5d6e0 | 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f 00 00 00 | ..13.....3;1-2-3;2-2-3;..14..... |
5d700 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-2-3;2-2-3;..15.....3;1-2-3;2 |
5d720 | 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 1e 00 00 00 4e 3d 63 31 63 | -2-3;2-1-11;....smiles.....N=c1c |
5d740 | 63 63 32 63 28 5b 6e 48 5d 31 29 5b 6e 48 5d 63 31 63 32 63 63 63 63 31 00 02 69 6e 63 68 69 00 | cc2c([nH]1)[nH]c1c2cccc1..inchi. |
5d760 | 4e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 31 48 39 4e 33 2f 63 31 32 2d 31 30 2d 36 2d 35 2d | N...InChI=1S/C11H9N3/c12-10-6-5- |
5d780 | 38 2d 37 2d 33 2d 31 2d 32 2d 34 2d 39 28 37 29 31 33 2d 31 31 28 38 29 31 34 2d 31 30 2f 68 31 | 8-7-3-1-2-4-9(7)13-11(8)14-10/h1 |
5d7a0 | 2d 36 48 2c 28 48 33 2c 31 32 2c 31 33 2c 31 34 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 47 cd | -6H,(H3,12,13,14)..updated_at.G. |
5d7c0 | 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 45 cd 65 46 50 01 00 00 10 64 65 66 61 75 | eFP....created_at.E.eFP....defau |
5d7e0 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 60 02 00 00 07 5f 69 | lt_fingerprint_size......`...._i |
5d800 | 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 cb 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..(+r.+@....warnings.......fi |
5d820 | 6e 67 65 72 70 72 69 6e 74 73 00 74 01 00 00 04 4d 50 32 44 00 69 01 00 00 02 30 00 10 00 00 00 | ngerprints.t....MP2D.i....0..... |
5d840 | 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 19;1-1-3;2-2-3;..1.....3;1-2-3;1 |
5d860 | 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -1-19;2-2-3;..2.....3;1-2-3;2-2- |
5d880 | 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 | 3;2-1-19;..3.....3;1-2-3;2-3-3;. |
5d8a0 | 02 34 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 | .4.....3;1-3-3;2-4-3;..5.....3;1 |
5d8c0 | 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -2-3;2-3-3;..6.....3;1-2-3;2-2-3 |
5d8e0 | 3b 32 2d 31 2d 31 39 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 | ;2-1-19;..7.....3;1-3-3;2-4-3;.. |
5d900 | 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 39 00 16 00 00 00 33 3b 31 2d | 8.....3;1-2-3;2-3-3;..9.....3;1- |
5d920 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d | 2-3;2-2-3;2-1-16;..10.....3;1-2- |
5d940 | 33 3b 31 2d 31 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | 3;1-1-16;2-2-3;..11.....3;1-2-3; |
5d960 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 2-2-3;2-1-16;..12.....3;1-2-3;2- |
5d980 | 33 2d 33 3b 00 02 31 33 00 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 | 3-3;..13.....16;1-1-3;2-2-3;.... |
5d9a0 | 73 6d 69 6c 65 73 00 17 00 00 00 4e 63 31 63 63 63 28 63 63 31 29 63 31 63 63 63 28 63 63 31 29 | smiles.....Nc1ccc(cc1)c1ccc(cc1) |
5d9c0 | 46 00 02 69 6e 63 68 69 00 45 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 30 46 4e 2f 63 | F..inchi.E...InChI=1S/C12H10FN/c |
5d9e0 | 31 33 2d 31 31 2d 35 2d 31 2d 39 28 32 2d 36 2d 31 31 29 31 30 2d 33 2d 37 2d 31 32 28 31 34 29 | 13-11-5-1-9(2-6-11)10-3-7-12(14) |
5da00 | 38 2d 34 2d 31 30 2f 68 31 2d 38 48 2c 31 34 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 55 cd | 8-4-10/h1-8H,14H2..updated_at.U. |
5da20 | 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 53 cd 65 46 50 01 00 00 10 64 65 66 61 75 | eFP....created_at.S.eFP....defau |
5da40 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 27 03 00 00 07 5f 69 | lt_fingerprint_size......'...._i |
5da60 | 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 cc 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..(+r.+@....warnings.......fi |
5da80 | 6e 67 65 72 70 72 69 6e 74 73 00 1f 02 00 00 04 4d 50 32 44 00 14 02 00 00 02 30 00 0f 00 00 00 | ngerprints......MP2D......0..... |
5daa0 | 34 3b 31 2d 31 2d 34 3b 32 2d 31 2d 31 3b 00 02 31 00 1b 00 00 00 34 3b 31 2d 31 2d 31 3b 31 2d | 4;1-1-4;2-1-1;..1.....4;1-1-1;1- |
5dac0 | 31 2d 34 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 32 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b | 1-4;2-2-1;2-1-6;..2.!...1;1-2-1; |
5dae0 | 31 2d 31 2d 34 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 34 3b 00 02 33 00 27 00 00 00 | 1-1-4;1-1-6;2-1-2;2-1-4;..3.'... |
5db00 | 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 34 3b | 6;1-1-1;1-1-2;2-2-1;2-1-3;2-1-4; |
5db20 | 32 2d 31 2d 39 3b 00 02 34 00 21 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 31 2d 31 2d | 2-1-9;..4.!...2;1-1-3;1-1-6;1-1- |
5db40 | 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d | 9;2-1-1;2-2-3;..5.!...3;1-1-2;1- |
5db60 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 36 00 1c 00 00 00 33 3b | 2-3;2-2-3;2-1-6;2-1-9;..6.....3; |
5db80 | 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 37 00 16 00 00 | 1-2-3;2-1-2;2-2-3;2-1-15;..7.... |
5dba0 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 38 00 10 00 00 00 31 35 | .3;1-2-3;1-1-15;2-2-3;..8.....15 |
5dbc0 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | ;1-1-3;2-2-3;..9.....3;1-2-3;2-2 |
5dbe0 | 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | -3;2-2-15;..10.....3;1-2-3;1-1-1 |
5dc00 | 35 3b 32 2d 32 2d 33 3b 00 02 31 31 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 | 5;2-2-3;..11.....3;1-2-3;2-1-2;2 |
5dc20 | 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 32 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d | -2-3;2-1-15;..12.....15;1-1-3;2- |
5dc40 | 32 2d 33 3b 00 02 31 33 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 | 2-3;..13.....9;1-1-2;2-1-3;2-1-6 |
5dc60 | 3b 00 02 31 34 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 34 3b 32 2d | ;..14.....1;1-1-1;2-1-1;2-1-4;2- |
5dc80 | 31 2d 36 3b 00 02 31 35 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 34 | 1-6;..15.....1;1-1-1;2-1-1;2-1-4 |
5dca0 | 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 21 00 00 00 43 23 43 43 28 4e 3d 43 28 63 | ;2-1-6;....smiles.!...C#CC(N=C(c |
5dcc0 | 31 63 63 28 43 6c 29 63 63 28 63 31 29 43 6c 29 4f 29 28 43 29 43 00 02 69 6e 63 68 69 00 57 00 | 1cc(Cl)cc(c1)Cl)O)(C)C..inchi.W. |
5dce0 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 31 43 6c 32 4e 4f 2f 63 31 2d 34 2d 31 32 28 32 | ..InChI=1S/C12H11Cl2NO/c1-4-12(2 |
5dd00 | 2c 33 29 31 35 2d 31 31 28 31 36 29 38 2d 35 2d 39 28 31 33 29 37 2d 31 30 28 31 34 29 36 2d 38 | ,3)15-11(16)8-5-9(13)7-10(14)6-8 |
5dd20 | 2f 68 31 2c 35 2d 37 48 2c 32 2d 33 48 33 2c 28 48 2c 31 35 2c 31 36 29 00 09 75 70 64 61 74 65 | /h1,5-7H,2-3H3,(H,15,16)..update |
5dd40 | 64 5f 61 74 00 60 cd 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 5e cd 65 46 50 01 00 | d_at.`.eFP....created_at.^.eFP.. |
5dd60 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 | ..default_fingerprint_size...... |
5dd80 | 0c 04 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 cd 04 77 61 72 6e 69 6e 67 73 00 05 | ....._id.V..(+r.+@....warnings.. |
5dda0 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 de 02 00 00 04 4d 50 32 44 00 d3 02 00 00 | .....fingerprints......MP2D..... |
5ddc0 | 02 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 | .0.....32;1-1-2;2-1-3;2-1-32;..1 |
5dde0 | 00 16 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 32 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 32 00 17 00 | .....2;1-1-3;1-2-32;2-2-3;..2... |
5de00 | 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 33 00 23 00 00 00 | ..32;1-1-2;2-1-3;2-1-32;..3.#... |
5de20 | 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 32 2d 32 2d 33 | 3;1-1-2;1-2-3;2-2-3;2-1-19;2-2-3 |
5de40 | 32 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d | 2;..4.....3;1-2-3;2-1-2;2-2-3;2- |
5de60 | 31 2d 33 30 3b 00 02 35 00 29 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 33 30 3b 32 2d 32 2d | 1-30;..5.)...3;1-2-3;1-1-30;2-2- |
5de80 | 33 3b 32 2d 31 2d 35 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 35 3b 00 02 36 00 1d 00 00 00 33 3b 31 | 3;2-1-5;2-2-9;2-1-15;..6.....3;1 |
5dea0 | 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 37 00 1d 00 00 | -2-3;1-1-15;2-2-3;2-1-30;..7.... |
5dec0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 31 39 3b 00 02 38 | .3;1-2-3;2-2-3;2-1-15;2-1-19;..8 |
5dee0 | 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b | ."...3;1-2-3;1-1-19;2-1-1;2-1-2; |
5df00 | 32 2d 32 2d 33 3b 00 02 39 00 16 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 33 | 2-2-3;..9.....19;1-1-1;1-1-3;2-3 |
5df20 | 2d 33 3b 00 02 31 30 00 1c 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 | -3;..10.....1;1-1-3;1-1-19;2-2-3 |
5df40 | 3b 32 2d 31 2d 39 3b 00 02 31 31 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d | ;2-1-9;..11."...3;1-1-1;1-1-3;1- |
5df60 | 31 2d 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 32 00 1b 00 00 00 33 3b 31 2d 32 2d | 1-9;2-2-3;2-1-19;..12.....3;1-2- |
5df80 | 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 33 00 15 00 00 00 33 3b 31 | 3;2-1-1;2-1-3;2-1-9;..13.....3;1 |
5dfa0 | 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 34 00 15 00 00 00 33 3b 31 2d 31 2d | -2-3;2-1-3;2-1-9;..14.....3;1-1- |
5dfc0 | 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 00 02 31 35 00 15 00 00 00 39 3b 31 2d 32 2d 33 3b 32 | 3;1-1-9;2-2-3;..15.....9;1-2-3;2 |
5dfe0 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 36 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 | -1-1;2-2-3;..16.....15;1-1-3;2-2 |
5e000 | 2d 33 3b 00 02 31 37 00 1c 00 00 00 33 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 35 3b 31 2d 32 2d 39 | -3;..17.....30;1-1-3;1-1-5;1-2-9 |
5e020 | 3b 32 2d 32 2d 33 3b 00 02 31 38 00 1c 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 | ;2-2-3;..18.....9;1-1-30;2-1-3;2 |
5e040 | 2d 31 2d 35 3b 32 2d 31 2d 39 3b 00 02 31 39 00 1c 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 | -1-5;2-1-9;..19.....9;1-1-30;2-1 |
5e060 | 2d 33 3b 32 2d 31 2d 35 3b 32 2d 31 2d 39 3b 00 02 32 30 00 16 00 00 00 35 3b 31 2d 31 2d 33 30 | -3;2-1-5;2-1-9;..20.....5;1-1-30 |
5e080 | 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 28 00 00 00 4f 43 28 3d | ;2-1-3;2-2-9;....smiles.(...OC(= |
5e0a0 | 4f 29 63 31 63 63 28 63 28 63 63 31 4e 43 63 31 63 63 63 6f 31 29 43 6c 29 53 28 3d 4f 29 28 3d | O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(= |
5e0c0 | 4f 29 4e 00 02 69 6e 63 68 69 00 76 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 31 43 6c | O)N..inchi.v...InChI=1S/C12H11Cl |
5e0e0 | 4e 32 4f 35 53 2f 63 31 33 2d 39 2d 35 2d 31 30 28 31 35 2d 36 2d 37 2d 32 2d 31 2d 33 2d 32 30 | N2O5S/c13-9-5-10(15-6-7-2-1-3-20 |
5e100 | 2d 37 29 38 28 31 32 28 31 36 29 31 37 29 34 2d 31 31 28 39 29 32 31 28 31 34 2c 31 38 29 31 39 | -7)8(12(16)17)4-11(9)21(14,18)19 |
5e120 | 2f 68 31 2d 35 2c 31 35 48 2c 36 48 32 2c 28 48 2c 31 36 2c 31 37 29 28 48 32 2c 31 34 2c 31 38 | /h1-5,15H,6H2,(H,16,17)(H2,14,18 |
5e140 | 2c 31 39 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 67 cd 65 46 50 01 00 00 09 63 72 65 61 74 65 | ,19)..updated_at.g.eFP....create |
5e160 | 64 5f 61 74 00 66 cd 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.f.eFP....default_fingerprin |
5e180 | 74 5f 73 69 7a 65 00 00 00 00 00 00 2c 02 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 | t_size......,...._id.V..(+r.+@.. |
5e1a0 | ce 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 47 01 | ..warnings.......fingerprints.G. |
5e1c0 | 00 00 04 4d 50 32 44 00 3c 01 00 00 02 30 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d | ...MP2D.<....0.....19;1-1-3;2-2- |
5e1e0 | 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 | 3;..1.....3;1-2-3;1-1-19;2-2-3;. |
5e200 | 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 | .2.....3;1-2-3;2-2-3;2-1-19;..3. |
5e220 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 33 2d | ....3;1-2-3;2-3-3;..4.....3;1-3- |
5e240 | 33 3b 32 2d 34 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 | 3;2-4-3;..5.....3;1-2-3;2-3-3;.. |
5e260 | 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 0f | 6.....3;1-2-3;2-2-3;2-1-19;..7.. |
5e280 | 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | ...3;1-3-3;2-4-3;..8.....3;1-2-3 |
5e2a0 | 3b 32 2d 33 2d 33 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | ;2-3-3;..9.....3;1-2-3;2-2-3;..1 |
5e2c0 | 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 | 0.....3;1-2-3;2-2-3;..11.....3;1 |
5e2e0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d | -2-3;2-2-3;..12.....3;1-2-3;2-3- |
5e300 | 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 14 00 00 00 4e 63 31 63 63 63 28 63 63 31 29 63 31 63 63 | 3;....smiles.....Nc1ccc(cc1)c1cc |
5e320 | 63 63 63 31 00 02 69 6e 63 68 69 00 41 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 31 4e | ccc1..inchi.A...InChI=1S/C12H11N |
5e340 | 2f 63 31 33 2d 31 32 2d 38 2d 36 2d 31 31 28 37 2d 39 2d 31 32 29 31 30 2d 34 2d 32 2d 31 2d 33 | /c13-12-8-6-11(7-9-12)10-4-2-1-3 |
5e360 | 2d 35 2d 31 30 2f 68 31 2d 39 48 2c 31 33 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 6e cd 65 | -5-10/h1-9H,13H2..updated_at.n.e |
5e380 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 6c cd 65 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at.l.eFP....defaul |
5e3a0 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 2a 02 00 00 07 5f 69 64 | t_fingerprint_size......*...._id |
5e3c0 | 00 56 16 1e 28 2b 72 ed 2b 40 00 02 cf 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..(+r.+@....warnings.......fin |
5e3e0 | 67 65 72 70 72 69 6e 74 73 00 47 01 00 00 04 4d 50 32 44 00 3c 01 00 00 02 30 00 10 00 00 00 31 | gerprints.G....MP2D.<....0.....1 |
5e400 | 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 9;1-1-3;2-2-3;..1.....3;1-2-3;1- |
5e420 | 31 2d 31 39 3b 32 2d 33 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 1-19;2-3-3;..2.....3;1-2-3;2-2-3 |
5e440 | 3b 32 2d 31 2d 31 39 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 | ;2-1-19;..3.....3;1-2-3;2-2-3;.. |
5e460 | 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d | 4.....3;1-2-3;2-2-3;..5.....3;1- |
5e480 | 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b | 2-3;2-3-3;..6.....3;1-3-3;2-4-3; |
5e4a0 | 32 2d 31 2d 31 39 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 38 | 2-1-19;..7.....3;1-3-3;2-4-3;..8 |
5e4c0 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 | .....3;1-2-3;2-3-3;..9.....3;1-2 |
5e4e0 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | -3;2-2-3;..10.....3;1-2-3;2-2-3; |
5e500 | 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 0f 00 00 00 | ..11.....3;1-2-3;2-2-3;..12..... |
5e520 | 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 12 00 00 00 4e 63 31 | 3;1-2-3;2-3-3;....smiles.....Nc1 |
5e540 | 63 63 63 63 63 31 63 31 63 63 63 63 63 31 00 02 69 6e 63 68 69 00 41 00 00 00 49 6e 43 68 49 3d | ccccc1c1ccccc1..inchi.A...InChI= |
5e560 | 31 53 2f 43 31 32 48 31 31 4e 2f 63 31 33 2d 31 32 2d 39 2d 35 2d 34 2d 38 2d 31 31 28 31 32 29 | 1S/C12H11N/c13-12-9-5-4-8-11(12) |
5e580 | 31 30 2d 36 2d 32 2d 31 2d 33 2d 37 2d 31 30 2f 68 31 2d 39 48 2c 31 33 48 32 00 09 75 70 64 61 | 10-6-2-1-3-7-10/h1-9H,13H2..upda |
5e5a0 | 74 65 64 5f 61 74 00 75 cd 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 73 cd 65 46 50 | ted_at.u.eFP....created_at.s.eFP |
5e5c0 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
5e5e0 | 00 00 dc 03 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 d0 04 77 61 72 6e 69 6e 67 73 | ......._id.V..(+r.+@....warnings |
5e600 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c0 02 00 00 04 4d 50 32 44 00 b5 02 | .......fingerprints......MP2D... |
5e620 | 00 00 02 30 00 16 00 00 00 36 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 | ...0.....6;1-1-3;2-1-3;2-1-11;.. |
5e640 | 31 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 | 1.#...3;1-1-3;1-1-6;1-1-11;2-2-3 |
5e660 | 3b 32 2d 31 2d 31 31 3b 00 02 32 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | ;2-1-11;..2.....11;1-2-3;2-2-3;2 |
5e680 | 2d 31 2d 36 3b 32 2d 31 2d 31 31 3b 00 02 33 00 24 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 32 2d | -1-6;2-1-11;..3.$...3;1-1-3;1-2- |
5e6a0 | 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 02 34 00 24 00 00 00 31 | 11;2-3-3;2-1-11;2-1-13;..4.$...1 |
5e6c0 | 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 32 2d 31 | 1;1-2-3;1-1-13;2-1-3;2-1-6;2-2-1 |
5e6e0 | 31 3b 00 02 35 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 36 00 1d 00 | 1;..5.....13;1-1-11;2-2-3;..6... |
5e700 | 00 00 33 3b 31 2d 31 2d 36 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 33 3b 00 02 | ..3;1-1-6;1-2-11;2-2-3;2-2-13;.. |
5e720 | 37 00 10 00 00 00 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 38 00 2b 00 00 00 31 31 3b | 7.....6;1-1-3;2-2-11;..8.+...11; |
5e740 | 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 31 3b | 1-2-3;1-1-13;2-1-3;2-1-6;2-1-11; |
5e760 | 32 2d 31 2d 31 39 3b 00 02 39 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 | 2-1-19;..9.....13;1-1-11;2-2-3;. |
5e780 | 02 31 30 00 2b 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d | .10.+...3;1-1-3;1-1-11;1-1-19;2- |
5e7a0 | 32 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 02 31 31 00 24 00 00 00 33 3b 31 2d 32 | 2-3;2-1-11;2-1-13;..11.$...3;1-2 |
5e7c0 | 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 33 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 | -3;1-1-11;2-1-3;2-3-11;2-1-19;.. |
5e7e0 | 31 32 00 10 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 33 00 23 00 00 00 33 | 12.....11;1-2-3;2-4-3;..13.#...3 |
5e800 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 31 | ;1-2-3;1-1-11;2-3-3;2-1-6;2-1-11 |
5e820 | 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 | ;..14.....3;1-3-3;2-3-3;2-1-11;. |
5e840 | 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 36 00 0f 00 00 00 33 | .15.....3;1-2-3;2-3-3;..16.....3 |
5e860 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;1-2-3;2-2-3;..17.....3;1-2-3;2- |
5e880 | 32 2d 33 3b 00 02 31 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 39 00 | 2-3;..18.....3;1-2-3;2-2-3;..19. |
5e8a0 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 32 30 00 17 00 00 00 31 39 3b 31 2d | ....3;1-2-3;2-3-3;..20.....19;1- |
5e8c0 | 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 26 00 00 00 | 1-3;2-1-3;2-1-11;....smiles.&... |
5e8e0 | 4e 3d 63 31 6e 63 32 5b 6e 48 5d 63 28 3d 4e 29 5b 6e 48 5d 63 28 63 32 6e 63 31 63 31 63 63 63 | N=c1nc2[nH]c(=N)[nH]c(c2nc1c1ccc |
5e900 | 63 63 31 29 4e 00 02 69 6e 63 68 69 00 66 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 31 | cc1)N..inchi.f...InChI=1S/C12H11 |
5e920 | 4e 37 2f 63 31 33 2d 39 2d 37 28 36 2d 34 2d 32 2d 31 2d 33 2d 35 2d 36 29 31 36 2d 38 2d 31 30 | N7/c13-9-7(6-4-2-1-3-5-6)16-8-10 |
5e940 | 28 31 34 29 31 38 2d 31 32 28 31 35 29 31 39 2d 31 31 28 38 29 31 37 2d 39 2f 68 31 2d 35 48 2c | (14)18-12(15)19-11(8)17-9/h1-5H, |
5e960 | 28 48 36 2c 31 33 2c 31 34 2c 31 35 2c 31 37 2c 31 38 2c 31 39 29 00 09 75 70 64 61 74 65 64 5f | (H6,13,14,15,17,18,19)..updated_ |
5e980 | 61 74 00 85 cd 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 83 cd 65 46 50 01 00 00 10 | at...eFP....created_at...eFP.... |
5e9a0 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 c5 02 | default_fingerprint_size........ |
5e9c0 | 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 d1 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V..(+r.+@....warnings.... |
5e9e0 | 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c6 01 00 00 04 4d 50 32 44 00 bb 01 00 00 02 30 | ...fingerprints......MP2D......0 |
5ea00 | 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 1c 00 00 00 33 3b 31 2d | .....19;1-1-3;2-2-3;..1.....3;1- |
5ea20 | 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 00 16 00 00 00 33 | 2-3;1-1-19;2-2-3;2-1-8;..2.....3 |
5ea40 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d | ;1-2-3;2-2-3;2-1-19;..3.....3;1- |
5ea60 | 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b | 2-3;2-3-3;..4.....3;1-3-3;2-4-3; |
5ea80 | 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 | ..5.....3;1-2-3;2-3-3;2-1-8;..6. |
5eaa0 | 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 | ....3;1-2-3;1-1-8;2-2-3;2-1-19;. |
5eac0 | 02 37 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 | .7.....8;1-1-3;2-2-3;..8.....3;1 |
5eae0 | 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 | -3-3;2-4-3;..9.....3;1-2-3;2-3-3 |
5eb00 | 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 | ;..10.....3;1-2-3;2-2-3;2-1-19;. |
5eb20 | 02 31 31 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 | .11.....3;1-2-3;1-1-19;2-2-3;2-1 |
5eb40 | 2d 38 3b 00 02 31 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b | -8;..12.....3;1-2-3;1-1-8;2-2-3; |
5eb60 | 32 2d 31 2d 31 39 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d | 2-1-19;..13.....3;1-2-3;2-3-3;2- |
5eb80 | 31 2d 38 3b 00 02 31 34 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 | 1-8;..14.....8;1-1-3;2-2-3;..15. |
5eba0 | 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1b 00 | ....19;1-1-3;2-2-3;....smiles... |
5ebc0 | 00 00 4e 63 31 63 63 63 28 63 63 31 4f 29 63 31 63 63 63 28 63 28 63 31 29 4f 29 4e 00 02 69 6e | ..Nc1ccc(cc1O)c1ccc(c(c1)O)N..in |
5ebe0 | 63 68 69 00 54 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 32 4e 32 4f 32 2f 63 31 33 2d | chi.T...InChI=1S/C12H12N2O2/c13- |
5ec00 | 39 2d 33 2d 31 2d 37 28 35 2d 31 31 28 39 29 31 35 29 38 2d 32 2d 34 2d 31 30 28 31 34 29 31 32 | 9-3-1-7(5-11(9)15)8-2-4-10(14)12 |
5ec20 | 28 31 36 29 36 2d 38 2f 68 31 2d 36 2c 31 35 2d 31 36 48 2c 31 33 2d 31 34 48 32 00 09 75 70 64 | (16)6-8/h1-6,15-16H,13-14H2..upd |
5ec40 | 61 74 65 64 5f 61 74 00 97 cd 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 95 cd 65 46 | ated_at...eFP....created_at...eF |
5ec60 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
5ec80 | 00 00 00 35 03 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 d2 04 77 61 72 6e 69 6e 67 | ...5...._id.V..(+r.+@....warning |
5eca0 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 2e 02 00 00 04 4d 50 32 44 00 23 | s.......fingerprints......MP2D.# |
5ecc0 | 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 1c 00 00 00 | ....0.....1;1-1-3;2-2-3;..1..... |
5ece0 | 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 00 1c | 3;1-1-1;1-2-3;2-2-3;2-1-11;..2.. |
5ed00 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 | ...3;1-2-3;2-1-1;2-2-3;2-1-11;.. |
5ed20 | 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 34 2d 33 3b 00 02 34 00 10 | 3.....3;1-2-3;1-1-11;2-4-3;..4.. |
5ed40 | 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 31 2d | ...11;1-2-3;2-3-3;..5.....3;1-1- |
5ed60 | 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-1-11;2-2-3;..6.....3;1-2-3;2 |
5ed80 | 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d | -1-3;2-1-11;..7.....3;1-2-3;2-3- |
5eda0 | 33 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 33 2d 33 3b 32 2d 32 2d 31 31 3b 00 | 3;..8.....3;1-3-3;2-3-3;2-2-11;. |
5edc0 | 02 39 00 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 34 2d 33 3b 32 2d 31 2d | .9.$...3;1-2-3;1-1-11;2-4-3;2-1- |
5ede0 | 31 31 3b 32 2d 31 2d 31 33 3b 00 02 31 30 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | 11;2-1-13;..10.#...3;1-2-3;1-1-1 |
5ee00 | 31 3b 32 2d 32 2d 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 23 00 00 00 31 31 | 1;2-2-1;2-3-3;2-1-11;..11.#...11 |
5ee20 | 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 31 3b | ;1-1-1;1-2-3;2-2-3;2-1-6;2-1-11; |
5ee40 | 00 02 31 32 00 10 00 00 00 31 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 33 00 23 00 00 | ..12.....1;1-1-11;2-2-3;..13.#.. |
5ee60 | 00 33 3b 31 2d 31 2d 36 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d | .3;1-1-6;1-2-11;2-1-1;2-2-3;2-1- |
5ee80 | 31 33 3b 00 02 31 34 00 10 00 00 00 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 35 00 | 13;..14.....6;1-1-3;2-2-11;..15. |
5eea0 | 24 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b | $...11;1-2-3;1-1-13;2-2-3;2-1-6; |
5eec0 | 32 2d 31 2d 31 31 3b 00 02 31 36 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b | 2-1-11;..16.....13;1-1-11;2-2-3; |
5eee0 | 00 00 00 02 73 6d 69 6c 65 73 00 1f 00 00 00 43 63 31 63 63 32 6e 63 63 63 63 32 63 32 63 31 6e | ....smiles.....Cc1cc2ncccc2c2c1n |
5ef00 | 28 43 29 63 28 3d 4e 29 5b 6e 48 5d 32 00 02 69 6e 63 68 69 00 58 00 00 00 49 6e 43 68 49 3d 31 | (C)c(=N)[nH]2..inchi.X...InChI=1 |
5ef20 | 53 2f 43 31 32 48 31 32 4e 34 2f 63 31 2d 37 2d 36 2d 39 2d 38 28 34 2d 33 2d 35 2d 31 34 2d 39 | S/C12H12N4/c1-7-6-9-8(4-3-5-14-9 |
5ef40 | 29 31 30 2d 31 31 28 37 29 31 36 28 32 29 31 32 28 31 33 29 31 35 2d 31 30 2f 68 33 2d 36 48 2c | )10-11(7)16(2)12(13)15-10/h3-6H, |
5ef60 | 31 2d 32 48 33 2c 28 48 32 2c 31 33 2c 31 35 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 a6 cd 65 | 1-2H3,(H2,13,15)..updated_at...e |
5ef80 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a4 cd 65 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at...eFP....defaul |
5efa0 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 d5 02 00 00 07 5f 69 64 | t_fingerprint_size..........._id |
5efc0 | 00 56 16 1e 28 2b 72 ed 2b 40 00 02 d3 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..(+r.+@....warnings.......fin |
5efe0 | 67 65 72 70 72 69 6e 74 73 00 dc 01 00 00 04 4d 50 32 44 00 d1 01 00 00 02 30 00 10 00 00 00 31 | gerprints......MP2D......0.....1 |
5f000 | 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 9;1-1-3;2-2-3;..1.....3;1-2-3;1- |
5f020 | 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 1-19;2-2-3;..2.....3;1-2-3;2-2-3 |
5f040 | 3b 32 2d 31 2d 31 39 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | ;2-1-19;..3.....3;1-2-3;2-2-3;2- |
5f060 | 31 2d 38 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b | 1-8;..4.....3;1-2-3;1-1-8;2-3-3; |
5f080 | 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 | ..5.....3;1-2-3;2-2-3;2-1-8;..6. |
5f0a0 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 0f 00 00 | ....3;1-2-3;2-2-3;2-1-19;..7.... |
5f0c0 | 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | .8;1-2-3;2-4-3;..8.....3;1-2-3;1 |
5f0e0 | 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -1-8;2-3-3;..9.....3;1-2-3;2-2-3 |
5f100 | 3b 32 2d 31 2d 38 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | ;2-1-8;..10.....3;1-2-3;2-2-3;2- |
5f120 | 31 2d 31 39 3b 00 02 31 31 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 | 1-19;..11.....3;1-2-3;1-1-19;2-2 |
5f140 | 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 32 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | -3;2-1-19;..12.....3;1-2-3;1-1-1 |
5f160 | 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b | 9;2-2-3;2-1-19;..13.....3;1-2-3; |
5f180 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 39 3b 00 02 31 34 00 10 00 00 00 31 39 3b 31 | 2-2-3;2-1-8;2-1-19;..14.....19;1 |
5f1a0 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 | -1-3;2-2-3;..15.....19;1-1-3;2-2 |
5f1c0 | 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1b 00 00 00 4e 63 31 63 63 63 28 63 63 31 29 4f 63 31 | -3;....smiles.....Nc1ccc(cc1)Oc1 |
5f1e0 | 63 63 63 28 63 28 63 31 29 4e 29 4e 00 02 69 6e 63 68 69 00 4e 00 00 00 49 6e 43 68 49 3d 31 53 | ccc(c(c1)N)N..inchi.N...InChI=1S |
5f200 | 2f 43 31 32 48 31 33 4e 33 4f 2f 63 31 33 2d 38 2d 31 2d 33 2d 39 28 34 2d 32 2d 38 29 31 36 2d | /C12H13N3O/c13-8-1-3-9(4-2-8)16- |
5f220 | 31 30 2d 35 2d 36 2d 31 31 28 31 34 29 31 32 28 31 35 29 37 2d 31 30 2f 68 31 2d 37 48 2c 31 33 | 10-5-6-11(14)12(15)7-10/h1-7H,13 |
5f240 | 2d 31 35 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 ad cd 65 46 50 01 00 00 09 63 72 65 61 74 | -15H2..updated_at...eFP....creat |
5f260 | 65 64 5f 61 74 00 ab cd 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at...eFP....default_fingerpri |
5f280 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 84 03 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 | nt_size..........._id.V..(+r.+@. |
5f2a0 | 02 d4 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 66 | ...warnings.......fingerprints.f |
5f2c0 | 02 00 00 04 4d 50 32 44 00 5b 02 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d | ....MP2D.[....0.....1;1-1-1;2-1- |
5f2e0 | 33 30 3b 00 02 31 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b | 30;..1.....1;1-1-1;1-1-30;2-1-3; |
5f300 | 32 2d 32 2d 39 3b 00 02 32 00 22 00 00 00 33 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 32 | 2-2-9;..2."...30;1-1-1;1-1-3;1-2 |
5f320 | 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 1c 00 00 00 39 3b 31 2d 31 2d 33 30 3b | -9;2-1-1;2-2-3;..3.....9;1-1-30; |
5f340 | 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 34 00 1c 00 00 00 39 3b 31 2d 31 2d | 2-1-1;2-1-3;2-1-9;..4.....9;1-1- |
5f360 | 33 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 35 00 22 00 00 00 33 3b 31 | 30;2-1-1;2-1-3;2-1-9;..5."...3;1 |
5f380 | 2d 32 2d 33 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 32 2d 32 2d 39 3b 00 02 | -2-3;1-1-30;2-1-1;2-3-3;2-2-9;.. |
5f3a0 | 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 37 00 16 | 6.....3;1-2-3;2-2-3;2-1-30;..7.. |
5f3c0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 38 00 22 00 00 00 | ...3;1-2-3;2-2-3;2-1-30;..8."... |
5f3e0 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 33 30 3b 32 2d 33 2d 33 3b 32 2d 31 2d 35 3b 32 2d 32 2d 39 | 3;1-2-3;1-1-30;2-3-3;2-1-5;2-2-9 |
5f400 | 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 | ;..9.....3;1-3-3;2-4-3;2-1-30;.. |
5f420 | 31 30 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 31 | 10.....3;1-3-3;2-4-3;2-1-30;..11 |
5f440 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d | .....3;1-2-3;2-3-3;..12.....3;1- |
5f460 | 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 2-3;2-2-3;..13.....3;1-2-3;2-2-3 |
5f480 | 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 35 00 1c 00 00 | ;..14.....3;1-2-3;2-3-3;..15.... |
5f4a0 | 00 33 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 35 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 31 36 | .30;1-1-3;1-1-5;1-2-9;2-2-3;..16 |
5f4c0 | 00 1c 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 35 3b 32 2d 31 2d 39 3b | .....9;1-1-30;2-1-3;2-1-5;2-1-9; |
5f4e0 | 00 02 31 37 00 1c 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 35 3b 32 2d | ..17.....9;1-1-30;2-1-3;2-1-5;2- |
5f500 | 31 2d 39 3b 00 02 31 38 00 16 00 00 00 35 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 32 2d | 1-9;..18.....5;1-1-30;2-1-3;2-2- |
5f520 | 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 26 00 00 00 43 43 53 28 3d 4f 29 28 3d 4f 29 63 31 63 63 | 9;....smiles.&...CCS(=O)(=O)c1cc |
5f540 | 63 28 63 32 63 31 63 63 63 63 32 29 53 28 3d 4f 29 28 3d 4f 29 4e 00 02 69 6e 63 68 69 00 68 00 | c(c2c1cccc2)S(=O)(=O)N..inchi.h. |
5f560 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 33 4e 4f 34 53 32 2f 63 31 2d 32 2d 31 38 28 31 | ..InChI=1S/C12H13NO4S2/c1-2-18(1 |
5f580 | 34 2c 31 35 29 31 31 2d 37 2d 38 2d 31 32 28 31 39 28 31 33 2c 31 36 29 31 37 29 31 30 2d 36 2d | 4,15)11-7-8-12(19(13,16)17)10-6- |
5f5a0 | 34 2d 33 2d 35 2d 39 28 31 30 29 31 31 2f 68 33 2d 38 48 2c 32 48 32 2c 31 48 33 2c 28 48 32 2c | 4-3-5-9(10)11/h3-8H,2H2,1H3,(H2, |
5f5c0 | 31 33 2c 31 36 2c 31 37 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 b4 cd 65 46 50 01 00 00 09 63 | 13,16,17)..updated_at...eFP....c |
5f5e0 | 72 65 61 74 65 64 5f 61 74 00 b3 cd 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at...eFP....default_finge |
5f600 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 27 03 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 | rprint_size......'...._id.V..(+r |
5f620 | ed 2b 40 00 02 d5 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .+@....warnings.......fingerprin |
5f640 | 74 73 00 18 02 00 00 04 4d 50 32 44 00 0d 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b | ts......MP2D......0.....1;1-1-1; |
5f660 | 32 2d 31 2d 31 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d | 2-1-1;..1.....1;1-2-1;2-2-2;2-1- |
5f680 | 33 3b 00 02 32 00 2d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 31 2d 31 2d 33 3b 32 2d | 3;..2.-...1;1-1-1;1-2-2;1-1-3;2- |
5f6a0 | 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 36 3b 32 2d 32 2d 39 3b 00 02 33 00 21 00 00 00 33 3b | 1-1;2-2-3;2-2-6;2-2-9;..3.!...3; |
5f6c0 | 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 00 02 | 1-1-1;1-2-3;2-1-1;2-2-2;2-2-3;.. |
5f6e0 | 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 0f 00 | 4.....3;1-2-3;2-1-1;2-2-3;..5... |
5f700 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b | ..3;1-2-3;2-2-3;..6.....3;1-2-3; |
5f720 | 32 2d 32 2d 33 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 | 2-2-3;..7.....3;1-2-3;2-2-3;..8. |
5f740 | 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 27 00 00 00 | ....3;1-2-3;2-1-1;2-2-3;..9.'... |
5f760 | 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b | 2;1-1-1;1-1-6;1-1-9;2-2-1;2-1-2; |
5f780 | 32 2d 31 2d 33 3b 00 02 31 30 00 21 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 | 2-1-3;..10.!...6;1-1-1;1-1-2;2-1 |
5f7a0 | 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 31 31 00 0f 00 00 00 31 3b 31 2d 32 2d 36 3b | -1;2-1-6;2-1-9;..11.....1;1-2-6; |
5f7c0 | 32 2d 32 2d 32 3b 00 02 31 32 00 21 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 | 2-2-2;..12.!...6;1-1-1;1-1-2;2-1 |
5f7e0 | 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 31 33 00 27 00 00 00 32 3b 31 2d 31 2d 31 3b | -1;2-1-6;2-1-9;..13.'...2;1-1-1; |
5f800 | 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 | 1-1-6;1-1-9;2-2-1;2-1-2;2-1-3;.. |
5f820 | 31 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 35 00 | 14.....9;1-1-2;2-1-1;2-1-6;..15. |
5f840 | 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c | ....9;1-1-2;2-1-1;2-1-6;....smil |
5f860 | 65 73 00 1b 00 00 00 43 43 43 31 28 63 32 63 63 63 63 63 32 29 43 28 3d 4e 43 4e 3d 43 31 4f 29 | es.....CCC1(c2ccccc2)C(=NCN=C1O) |
5f880 | 4f 00 02 69 6e 63 68 69 00 64 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 34 4e 32 4f 32 | O..inchi.d...InChI=1S/C12H14N2O2 |
5f8a0 | 2f 63 31 2d 32 2d 31 32 28 39 2d 36 2d 34 2d 33 2d 35 2d 37 2d 39 29 31 30 28 31 35 29 31 33 2d | /c1-2-12(9-6-4-3-5-7-9)10(15)13- |
5f8c0 | 38 2d 31 34 2d 31 31 28 31 32 29 31 36 2f 68 33 2d 37 48 2c 32 2c 38 48 32 2c 31 48 33 2c 28 48 | 8-14-11(12)16/h3-7H,2,8H2,1H3,(H |
5f8e0 | 2c 31 33 2c 31 35 29 28 48 2c 31 34 2c 31 36 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 bc cd 65 | ,13,15)(H,14,16)..updated_at...e |
5f900 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ba cd 65 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at...eFP....defaul |
5f920 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 b7 03 00 00 07 5f 69 64 | t_fingerprint_size..........._id |
5f940 | 00 56 16 1e 28 2b 72 ed 2b 40 00 02 d6 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..(+r.+@....warnings.......fin |
5f960 | 67 65 72 70 72 69 6e 74 73 00 9a 02 00 00 04 4d 50 32 44 00 8f 02 00 00 02 30 00 10 00 00 00 31 | gerprints......MP2D......0.....1 |
5f980 | 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 9;1-1-3;2-2-3;..1.....3;1-2-3;1- |
5f9a0 | 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 1-19;2-2-3;..2.....3;1-2-3;2-2-3 |
5f9c0 | 3b 32 2d 31 2d 31 39 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | ;2-1-19;..3.....3;1-2-3;2-2-3;2- |
5f9e0 | 31 2d 33 30 3b 00 02 34 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 33 30 3b 32 2d 32 2d | 1-30;..4.#...3;1-2-3;1-1-30;2-2- |
5fa00 | 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;2-2-9;2-1-19;..5.....3;1-2-3;2 |
5fa20 | 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -2-3;2-1-30;..6.....3;1-2-3;2-2- |
5fa40 | 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 1d 00 00 00 33 30 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b | 3;2-1-19;..7.....30;1-1-3;1-2-9; |
5fa60 | 31 2d 31 2d 31 39 3b 32 2d 33 2d 33 3b 00 02 38 00 1d 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d | 1-1-19;2-3-3;..8.....9;1-1-30;2- |
5fa80 | 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 39 00 1d 00 00 00 39 3b 31 2d 31 2d 33 | 1-3;2-1-9;2-1-19;..9.....9;1-1-3 |
5faa0 | 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 24 00 00 00 31 39 | 0;2-1-3;2-1-9;2-1-19;..10.$...19 |
5fac0 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 32 2d 32 2d 31 31 | ;1-1-3;1-1-30;2-1-3;2-2-9;2-2-11 |
5fae0 | 3b 00 02 31 31 00 1e 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b | ;..11.....3;1-2-11;1-1-19;2-2-3; |
5fb00 | 32 2d 31 2d 33 30 3b 00 02 31 32 00 24 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 | 2-1-30;..12.$...11;1-2-3;2-1-1;2 |
5fb20 | 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 1c 00 00 00 33 3b 31 2d | -1-3;2-1-11;2-1-19;..13.....3;1- |
5fb40 | 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 34 00 16 00 00 00 | 1-1;1-1-3;1-1-11;2-2-3;..14..... |
5fb60 | 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 35 00 16 00 00 00 33 3b | 1;1-1-3;2-1-3;2-1-11;..15.....3; |
5fb80 | 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 31 31 3b 00 02 31 36 00 1c 00 00 00 33 3b 31 2d | 1-2-3;2-2-1;2-2-11;..16.....3;1- |
5fba0 | 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 37 00 24 00 00 00 | 1-1;1-1-3;1-1-11;2-2-3;..17.$... |
5fbc0 | 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d | 11;1-2-3;2-1-1;2-1-3;2-1-11;2-1- |
5fbe0 | 31 39 3b 00 02 31 38 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 | 19;..18.....1;1-1-3;2-1-3;2-1-11 |
5fc00 | 3b 00 00 00 02 73 6d 69 6c 65 73 00 24 00 00 00 4e 63 31 63 63 63 28 63 63 31 29 53 28 3d 4f 29 | ;....smiles.$...Nc1ccc(cc1)S(=O) |
5fc20 | 28 3d 4f 29 4e 63 31 6e 63 28 43 29 63 63 28 6e 31 29 43 00 02 69 6e 63 68 69 00 69 00 00 00 49 | (=O)Nc1nc(C)cc(n1)C..inchi.i...I |
5fc40 | 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 34 4e 34 4f 32 53 2f 63 31 2d 38 2d 37 2d 39 28 32 29 31 | nChI=1S/C12H14N4O2S/c1-8-7-9(2)1 |
5fc60 | 35 2d 31 32 28 31 34 2d 38 29 31 36 2d 31 39 28 31 37 2c 31 38 29 31 31 2d 35 2d 33 2d 31 30 28 | 5-12(14-8)16-19(17,18)11-5-3-10( |
5fc80 | 31 33 29 34 2d 36 2d 31 31 2f 68 33 2d 37 48 2c 31 33 48 32 2c 31 2d 32 48 33 2c 28 48 2c 31 34 | 13)4-6-11/h3-7H,13H2,1-2H3,(H,14 |
5fca0 | 2c 31 35 2c 31 36 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 ce cd 65 46 50 01 00 00 09 63 72 65 | ,15,16)..updated_at...eFP....cre |
5fcc0 | 61 74 65 64 5f 61 74 00 cd cd 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at...eFP....default_fingerp |
5fce0 | 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 d2 03 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b | rint_size..........._id.V..(+r.+ |
5fd00 | 40 00 02 d7 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 | @....warnings.......fingerprints |
5fd20 | 00 a4 02 00 00 04 4d 50 32 44 00 99 02 00 00 02 30 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d | ......MP2D......0.....9;1-1-2;2- |
5fd40 | 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b | 1-1;2-1-6;..1."...2;1-1-1;1-1-6; |
5fd60 | 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 32 00 22 00 00 00 36 3b 31 2d 31 | 1-1-9;2-1-1;2-1-19;..2."...6;1-1 |
5fd80 | 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 | -2;1-1-19;2-1-1;2-1-3;2-1-9;..3. |
5fda0 | 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 | ....19;1-1-3;1-1-6;2-1-2;2-2-3;. |
5fdc0 | 02 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d | .4.....3;1-2-3;1-1-19;2-2-3;2-1- |
5fde0 | 36 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 | 6;..5.....3;1-2-3;2-2-3;2-1-19;. |
5fe00 | 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 1c | .6.....3;1-2-3;2-1-2;2-2-3;..7.. |
5fe20 | 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 33 32 3b 00 02 | ...3;1-1-2;1-2-3;2-2-3;2-2-32;.. |
5fe40 | 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 39 00 16 00 | 8.....3;1-2-3;2-1-2;2-2-3;..9... |
5fe60 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 16 00 00 00 | ..3;1-2-3;2-2-3;2-1-19;..10..... |
5fe80 | 32 3b 31 2d 31 2d 33 3b 31 2d 32 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 31 31 00 17 00 00 00 33 32 | 2;1-1-3;1-2-32;2-2-3;..11.....32 |
5fea0 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 32 00 17 00 00 00 33 32 3b | ;1-1-2;2-1-3;2-1-32;..12.....32; |
5fec0 | 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 33 00 21 00 00 00 31 3b 31 2d | 1-1-2;2-1-3;2-1-32;..13.!...1;1- |
5fee0 | 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 31 34 | 1-1;1-1-2;2-1-1;2-1-6;2-1-9;..14 |
5ff00 | 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 35 3b 00 02 31 35 00 22 00 | .....1;1-2-1;2-2-2;2-1-5;..15.". |
5ff20 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 32 2d | ..1;1-1-1;1-1-2;1-1-5;2-1-1;2-2- |
5ff40 | 33 32 3b 00 02 31 36 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d 31 | 32;..16.....2;1-1-1;1-2-32;2-1-1 |
5ff60 | 3b 32 2d 31 2d 35 3b 00 02 31 37 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 | ;2-1-5;..17.....32;1-1-2;2-1-1;2 |
5ff80 | 2d 31 2d 33 32 3b 00 02 31 38 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d | -1-32;..18.....32;1-1-2;2-1-1;2- |
5ffa0 | 31 2d 33 32 3b 00 02 31 39 00 15 00 00 00 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d | 1-32;..19.....5;1-1-1;2-1-1;2-1- |
5ffc0 | 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 24 00 00 00 4f 43 28 3d 4e 4e 63 31 63 63 63 28 63 63 31 | 2;....smiles.$...OC(=NNc1ccc(cc1 |
5ffe0 | 29 43 28 3d 4f 29 4f 29 43 43 43 28 43 28 3d 4f 29 4f 29 4e 00 02 69 6e 63 68 69 00 7a 00 00 00 | )C(=O)O)CCC(C(=O)O)N..inchi.z... |
60000 | 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 35 4e 33 4f 35 2f 63 31 33 2d 39 28 31 32 28 31 39 29 | InChI=1S/C12H15N3O5/c13-9(12(19) |
60020 | 32 30 29 35 2d 36 2d 31 30 28 31 36 29 31 35 2d 31 34 2d 38 2d 33 2d 31 2d 37 28 32 2d 34 2d 38 | 20)5-6-10(16)15-14-8-3-1-7(2-4-8 |
60040 | 29 31 31 28 31 37 29 31 38 2f 68 31 2d 34 2c 39 2c 31 34 48 2c 35 2d 36 2c 31 33 48 32 2c 28 48 | )11(17)18/h1-4,9,14H,5-6,13H2,(H |
60060 | 2c 31 35 2c 31 36 29 28 48 2c 31 37 2c 31 38 29 28 48 2c 31 39 2c 32 30 29 00 09 75 70 64 61 74 | ,15,16)(H,17,18)(H,19,20)..updat |
60080 | 65 64 5f 61 74 00 da cd 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d8 cd 65 46 50 01 | ed_at...eFP....created_at...eFP. |
600a0 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
600c0 | 00 ba 03 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 d8 04 77 61 72 6e 69 6e 67 73 00 | ......_id.V..(+r.+@....warnings. |
600e0 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a6 02 00 00 04 4d 50 32 44 00 9b 02 00 | ......fingerprints......MP2D.... |
60100 | 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 | ..0.....9;1-1-19;2-1-3;2-1-9;..1 |
60120 | 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 | .....19;1-1-3;1-2-9;2-2-3;..2... |
60140 | 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 22 00 00 00 33 | ..9;1-1-19;2-1-3;2-1-9;..3."...3 |
60160 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b | ;1-2-3;1-1-19;2-2-1;2-2-3;2-2-9; |
60180 | 00 02 34 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d | ..4.....3;1-1-1;1-2-3;2-2-3;2-2- |
601a0 | 31 39 3b 00 02 35 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 22 00 00 | 19;..5.....1;1-1-3;2-2-3;..6.".. |
601c0 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d | .3;1-2-3;1-1-19;2-2-1;2-2-3;2-2- |
601e0 | 39 3b 00 02 37 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 | 9;..7.....19;1-1-3;1-2-9;2-2-3;. |
60200 | 02 38 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 39 00 | .8.....9;1-1-19;2-1-3;2-1-9;..9. |
60220 | 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 30 00 1c 00 | ....9;1-1-19;2-1-3;2-1-9;..10... |
60240 | 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 39 3b 00 02 31 | ..3;1-1-1;1-2-3;2-2-3;2-2-19;..1 |
60260 | 31 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 | 1."...3;1-2-3;1-1-19;2-2-1;2-2-3 |
60280 | 3b 32 2d 32 2d 39 3b 00 02 31 32 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-9;..12."...3;1-1-1;1-2-3;2- |
602a0 | 33 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 39 3b 00 02 31 33 00 15 00 00 00 31 3b 31 2d 33 2d | 3-1;2-2-3;2-2-19;..13.....1;1-3- |
602c0 | 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 | 1;1-1-3;2-2-3;..14.....1;1-1-1;2 |
602e0 | 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 35 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d | -2-1;2-1-3;..15.....1;1-1-1;2-2- |
60300 | 31 3b 32 2d 31 2d 33 3b 00 02 31 36 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 | 1;2-1-3;..16.....1;1-1-1;2-2-1;2 |
60320 | 2d 31 2d 33 3b 00 02 31 37 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 | -1-3;..17.....19;1-1-3;1-2-9;2-2 |
60340 | 2d 33 3b 00 02 31 38 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 | -3;..18.....9;1-1-19;2-1-3;2-1-9 |
60360 | 3b 00 02 31 39 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 | ;..19.....9;1-1-19;2-1-3;2-1-9;. |
60380 | 02 32 30 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 | .20.....1;1-1-3;2-2-3;....smiles |
603a0 | 00 30 00 00 00 4f 3d 4e 28 3d 4f 29 63 31 63 28 43 29 63 28 4e 28 3d 4f 29 3d 4f 29 63 28 63 28 | .0...O=N(=O)c1c(C)c(N(=O)=O)c(c( |
603c0 | 63 31 43 28 43 29 28 43 29 43 29 4e 28 3d 4f 29 3d 4f 29 43 00 02 69 6e 63 68 69 00 54 00 00 00 | c1C(C)(C)C)N(=O)=O)C..inchi.T... |
603e0 | 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 35 4e 33 4f 36 2f 63 31 2d 36 2d 39 28 31 33 28 31 36 | InChI=1S/C12H15N3O6/c1-6-9(13(16 |
60400 | 29 31 37 29 37 28 32 29 31 31 28 31 35 28 32 30 29 32 31 29 38 28 31 32 28 33 2c 34 29 35 29 31 | )17)7(2)11(15(20)21)8(12(3,4)5)1 |
60420 | 30 28 36 29 31 34 28 31 38 29 31 39 2f 68 31 2d 35 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 | 0(6)14(18)19/h1-5H3..updated_at. |
60440 | e1 cd 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e0 cd 65 46 50 01 00 00 10 64 65 66 | ..eFP....created_at...eFP....def |
60460 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 16 03 00 00 07 | ault_fingerprint_size........... |
60480 | 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 d9 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..(+r.+@....warnings....... |
604a0 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 0d 02 00 00 04 4d 50 32 44 00 02 02 00 00 02 30 00 0f 00 | fingerprints......MP2D......0... |
604c0 | 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b | ..1;1-1-1;2-1-8;..1.....1;1-1-1; |
604e0 | 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 32 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 1-1-8;2-1-3;..2.....8;1-1-1;1-1- |
60500 | 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 3;2-1-1;2-2-3;..3.....3;1-2-3;1- |
60520 | 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | 1-8;2-1-1;2-2-3;..4.....3;1-2-3; |
60540 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-2-3;2-1-8;..5.....3;1-2-3;2-2- |
60560 | 33 3b 32 2d 31 2d 32 38 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b | 3;2-1-28;..6.....3;1-2-3;1-1-28; |
60580 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-1-2;2-2-3;..7.....3;1-2-3;2-2- |
605a0 | 33 3b 32 2d 31 2d 32 38 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 3;2-1-28;..8.....3;1-2-3;2-2-3;2 |
605c0 | 2d 31 2d 38 3b 00 02 39 00 22 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d | -1-8;..9."...28;1-1-2;1-1-3;2-1- |
605e0 | 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 30 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 | 1;2-2-3;2-1-9;..10."...2;1-1-1;1 |
60600 | 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 31 00 16 00 00 | -1-9;1-1-28;2-1-1;2-1-3;..11.... |
60620 | 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 28 00 00 00 31 | .9;1-1-2;2-1-1;2-1-28;..12.(...1 |
60640 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 | ;1-1-1;1-1-2;2-1-1;2-1-8;2-1-9;2 |
60660 | 2d 31 2d 32 38 3b 00 02 31 33 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 | -1-28;..13.....1;1-2-1;1-1-8;2-1 |
60680 | 2d 32 3b 00 02 31 34 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 35 00 15 | -2;..14.....8;1-1-1;2-2-1;..15.. |
606a0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 | ...1;1-1-1;2-1-1;2-1-8;....smile |
606c0 | 73 00 1a 00 00 00 43 43 4f 63 31 63 63 63 28 63 63 31 29 4e 43 28 3d 4f 29 43 43 28 4f 29 43 00 | s.....CCOc1ccc(cc1)NC(=O)CC(O)C. |
606e0 | 02 69 6e 63 68 69 00 5f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 37 4e 4f 33 2f 63 31 | .inchi._...InChI=1S/C12H17NO3/c1 |
60700 | 2d 33 2d 31 36 2d 31 31 2d 36 2d 34 2d 31 30 28 35 2d 37 2d 31 31 29 31 33 2d 31 32 28 31 35 29 | -3-16-11-6-4-10(5-7-11)13-12(15) |
60720 | 38 2d 39 28 32 29 31 34 2f 68 34 2d 37 2c 39 2c 31 34 48 2c 33 2c 38 48 32 2c 31 2d 32 48 33 2c | 8-9(2)14/h4-7,9,14H,3,8H2,1-2H3, |
60740 | 28 48 2c 31 33 2c 31 35 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 e8 cd 65 46 50 01 00 00 09 63 | (H,13,15)..updated_at...eFP....c |
60760 | 72 65 61 74 65 64 5f 61 74 00 e7 cd 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at...eFP....default_finge |
60780 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 98 03 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 | rprint_size..........._id.V..(+r |
607a0 | ed 2b 40 00 02 da 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .+@....warnings.......fingerprin |
607c0 | 74 73 00 84 02 00 00 04 4d 50 32 44 00 79 02 00 00 02 30 00 16 00 00 00 31 35 3b 31 2d 31 2d 32 | ts......MP2D.y....0.....15;1-1-2 |
607e0 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 00 23 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 | ;2-1-1;2-1-2;..1.#...2;1-1-1;1-1 |
60800 | 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 32 00 23 00 00 00 32 | -2;1-1-15;2-3-1;2-2-15;..2.#...2 |
60820 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d 31 3b 32 2d 32 2d 31 35 | ;1-1-1;1-1-2;1-1-15;2-3-1;2-2-15 |
60840 | 3b 00 02 33 00 16 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 | ;..3.....15;1-1-2;2-1-1;2-1-2;.. |
60860 | 34 00 29 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d 31 | 4.)...1;1-2-1;1-1-2;1-1-15;2-3-1 |
60880 | 3b 32 2d 31 2d 32 3b 32 2d 33 2d 31 35 3b 00 02 35 00 23 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d | ;2-1-2;2-3-15;..5.#...1;1-2-1;1- |
608a0 | 32 2d 31 35 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 32 2d 32 2d 31 35 3b 00 02 36 00 29 00 00 00 | 2-15;2-2-1;2-2-2;2-2-15;..6.)... |
608c0 | 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 | 1;1-2-1;1-1-2;1-1-15;2-3-1;2-1-2 |
608e0 | 3b 32 2d 33 2d 31 35 3b 00 02 37 00 16 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 | ;2-3-15;..7.....15;1-1-1;2-2-1;2 |
60900 | 2d 31 2d 32 3b 00 02 38 00 1c 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 34 2d 31 3b 32 2d 32 2d 32 | -1-2;..8.....1;1-3-1;2-4-1;2-2-2 |
60920 | 3b 32 2d 31 2d 31 35 3b 00 02 39 00 1c 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 34 2d 31 3b 32 2d | ;2-1-15;..9.....1;1-3-1;2-4-1;2- |
60940 | 32 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 31 30 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d | 2-2;2-1-15;..10.....1;1-2-1;1-1- |
60960 | 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 | 2;2-3-1;2-1-2;..11.....1;1-2-1;2 |
60980 | 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 32 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d | -2-1;2-2-2;..12.....1;1-2-1;1-1- |
609a0 | 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 33 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 | 2;2-3-1;2-1-2;..13.....2;1-1-1;1 |
609c0 | 2d 31 2d 32 3b 32 2d 33 2d 31 3b 00 02 31 34 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -1-2;2-3-1;..14.....2;1-1-1;1-1- |
609e0 | 32 3b 32 2d 33 2d 31 3b 00 02 31 35 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b | 2;2-3-1;..15.....15;1-1-1;2-2-1; |
60a00 | 32 2d 31 2d 31 35 3b 00 02 31 36 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 | 2-1-15;..16.....15;1-1-1;2-2-1;2 |
60a20 | 2d 31 2d 31 35 3b 00 02 31 37 00 16 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d | -1-15;..17.....15;1-1-1;2-2-1;2- |
60a40 | 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 2d 00 00 00 43 6c 43 31 3d 43 28 43 6c 29 43 32 28 | 1-2;....smiles.-...ClC1=C(Cl)C2( |
60a60 | 43 28 43 31 28 43 6c 29 43 31 43 32 43 32 43 43 31 43 3d 43 32 29 28 43 6c 29 43 6c 29 43 6c 00 | C(C1(Cl)C1C2C2CC1C=C2)(Cl)Cl)Cl. |
60a80 | 02 69 6e 63 68 69 00 57 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 38 43 6c 36 2f 63 31 33 | .inchi.W...InChI=1S/C12H8Cl6/c13 |
60aa0 | 2d 38 2d 39 28 31 34 29 31 31 28 31 36 29 37 2d 35 2d 32 2d 31 2d 34 28 33 2d 35 29 36 28 37 29 | -8-9(14)11(16)7-5-2-1-4(3-5)6(7) |
60ac0 | 31 30 28 38 2c 31 35 29 31 32 28 31 31 2c 31 37 29 31 38 2f 68 31 2d 32 2c 34 2d 37 48 2c 33 48 | 10(8,15)12(11,17)18/h1-2,4-7H,3H |
60ae0 | 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 f7 cd 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | 2..updated_at...eFP....created_a |
60b00 | 74 00 f6 cd 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t...eFP....default_fingerprint_s |
60b20 | 69 7a 65 00 00 00 00 00 00 ad 03 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 db 04 77 | ize..........._id.V..(+r.+@....w |
60b40 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 95 02 00 00 04 | arnings.......fingerprints...... |
60b60 | 4d 50 32 44 00 8a 02 00 00 02 30 00 16 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 | MP2D......0.....15;1-1-2;2-1-1;2 |
60b80 | 2d 31 2d 32 3b 00 02 31 00 23 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 | -1-2;..1.#...2;1-1-1;1-1-2;1-1-1 |
60ba0 | 35 3b 32 2d 33 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 32 00 23 00 00 00 32 3b 31 2d 31 2d 31 3b 31 | 5;2-3-1;2-2-15;..2.#...2;1-1-1;1 |
60bc0 | 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 33 00 16 00 00 | -1-2;1-1-15;2-3-1;2-2-15;..3.... |
60be0 | 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 00 29 00 00 00 31 3b | .15;1-1-2;2-1-1;2-1-2;..4.)...1; |
60c00 | 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 | 1-2-1;1-1-2;1-1-15;2-3-1;2-1-2;2 |
60c20 | 2d 33 2d 31 35 3b 00 02 35 00 23 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 32 2d 31 35 3b 32 2d 32 | -3-15;..5.#...1;1-2-1;1-2-15;2-2 |
60c40 | 2d 31 3b 32 2d 32 2d 32 3b 32 2d 32 2d 31 35 3b 00 02 36 00 29 00 00 00 31 3b 31 2d 32 2d 31 3b | -1;2-2-2;2-2-15;..6.)...1;1-2-1; |
60c60 | 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 33 2d 31 35 3b | 1-1-2;1-1-15;2-3-1;2-1-2;2-3-15; |
60c80 | 00 02 37 00 16 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 38 | ..7.....15;1-1-1;2-2-1;2-1-2;..8 |
60ca0 | 00 1c 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 35 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b | .....1;1-3-1;2-5-1;2-1-2;2-1-15; |
60cc0 | 00 02 39 00 1c 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 35 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d | ..9.....1;1-3-1;2-5-1;2-1-2;2-1- |
60ce0 | 31 35 3b 00 02 31 30 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 38 3b | 15;..10.....1;1-3-1;2-4-1;2-1-8; |
60d00 | 00 02 31 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b 00 02 31 32 00 15 00 00 00 | ..11.....1;1-2-1;2-4-1;..12..... |
60d20 | 31 3b 31 2d 33 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 33 00 1b 00 00 00 31 3b 31 | 1;1-3-1;2-4-1;2-1-8;..13.....1;1 |
60d40 | 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 34 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 34 00 1b 00 00 00 | -2-1;1-1-8;2-4-1;2-1-8;..14..... |
60d60 | 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 34 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 35 00 0f | 1;1-2-1;1-1-8;2-4-1;2-1-8;..15.. |
60d80 | 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b 00 02 31 36 00 17 00 00 00 31 35 3b 31 2d 31 | ...8;1-2-1;2-4-1;..16.....15;1-1 |
60da0 | 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 31 37 00 17 00 00 00 31 35 3b 31 2d 31 2d | -1;2-2-1;2-1-15;..17.....15;1-1- |
60dc0 | 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 31 38 00 16 00 00 00 31 35 3b 31 2d 31 2d 31 | 1;2-2-1;2-1-15;..18.....15;1-1-1 |
60de0 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 2f 00 00 00 43 6c 43 31 | ;2-2-1;2-1-2;....smiles./...ClC1 |
60e00 | 3d 43 28 43 6c 29 43 32 28 43 28 43 31 28 43 6c 29 43 31 43 32 43 32 43 43 31 43 31 43 32 4f 31 | =C(Cl)C2(C(C1(Cl)C1C2C2CC1C1C2O1 |
60e20 | 29 28 43 6c 29 43 6c 29 43 6c 00 02 69 6e 63 68 69 00 59 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | )(Cl)Cl)Cl..inchi.Y...InChI=1S/C |
60e40 | 31 32 48 38 43 6c 36 4f 2f 63 31 33 2d 38 2d 39 28 31 34 29 31 31 28 31 36 29 35 2d 33 2d 31 2d | 12H8Cl6O/c13-8-9(14)11(16)5-3-1- |
60e60 | 32 28 36 2d 37 28 33 29 31 39 2d 36 29 34 28 35 29 31 30 28 38 2c 31 35 29 31 32 28 31 31 2c 31 | 2(6-7(3)19-6)4(5)10(8,15)12(11,1 |
60e80 | 37 29 31 38 2f 68 32 2d 37 48 2c 31 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 ff cd 65 46 50 | 7)18/h2-7H,1H2..updated_at...eFP |
60ea0 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 fe cd 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at...eFP....default_ |
60ec0 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 73 02 00 00 07 5f 69 64 00 56 | fingerprint_size......s...._id.V |
60ee0 | 16 1e 28 2b 72 ed 2b 40 00 02 dc 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..(+r.+@....warnings.......finge |
60f00 | 72 70 72 69 6e 74 73 00 8a 01 00 00 04 4d 50 32 44 00 7f 01 00 00 02 30 00 0f 00 00 00 33 3b 31 | rprints......MP2D......0.....3;1 |
60f20 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -2-3;2-2-3;..1.....3;1-2-3;2-2-3 |
60f40 | 3b 00 02 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 33 00 16 00 00 00 33 | ;..2.....3;1-2-3;2-3-3;..3.....3 |
60f60 | 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 34 00 1d 00 00 00 33 3b 31 2d | ;1-3-3;2-4-3;2-1-11;..4.....3;1- |
60f80 | 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 35 00 16 00 00 00 | 2-3;1-1-11;2-4-3;2-1-13;..5..... |
60fa0 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 36 00 17 00 00 00 31 31 3b | 3;1-2-3;2-2-3;2-1-11;..6.....11; |
60fc0 | 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 34 2d 33 3b 00 02 37 00 11 00 00 00 31 33 3b 31 2d | 1-2-3;1-1-13;2-4-3;..7.....13;1- |
60fe0 | 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 38 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | 1-11;2-2-3;..8.....3;1-2-3;1-1-1 |
61000 | 31 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 | 1;2-4-3;2-1-13;..9.....3;1-3-3;2 |
61020 | 2d 34 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 | -4-3;2-1-11;..10.....3;1-2-3;2-3 |
61040 | 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 0f | -3;..11.....3;1-2-3;2-2-3;..12.. |
61060 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 16 00 00 00 33 3b 31 2d 32 2d | ...3;1-2-3;2-2-3;..13.....3;1-2- |
61080 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 63 31 | 3;2-2-3;2-1-11;....smiles.....c1 |
610a0 | 63 63 63 32 63 28 63 31 29 5b 6e 48 5d 63 31 63 32 63 63 63 63 31 00 02 69 6e 63 68 69 00 40 00 | ccc2c(c1)[nH]c1c2cccc1..inchi.@. |
610c0 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 39 4e 2f 63 31 2d 33 2d 37 2d 31 31 2d 39 28 35 2d | ..InChI=1S/C12H9N/c1-3-7-11-9(5- |
610e0 | 31 29 31 30 2d 36 2d 32 2d 34 2d 38 2d 31 32 28 31 30 29 31 33 2d 31 31 2f 68 31 2d 38 2c 31 33 | 1)10-6-2-4-8-12(10)13-11/h1-8,13 |
61100 | 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 06 ce 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | H..updated_at...eFP....created_a |
61120 | 74 00 05 ce 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t...eFP....default_fingerprint_s |
61140 | 69 7a 65 00 00 00 00 00 00 6e 02 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 dd 04 77 | ize......n...._id.V..(+r.+@....w |
61160 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 82 01 00 00 04 | arnings.......fingerprints...... |
61180 | 4d 50 32 44 00 77 01 00 00 02 30 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | MP2D.w....0.....19;1-1-3;2-2-3;. |
611a0 | 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 32 00 | .1.....3;1-2-3;1-1-19;2-2-3;..2. |
611c0 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 15 00 00 | ....3;1-2-3;2-2-3;2-1-19;..3.... |
611e0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 34 00 15 00 00 00 33 3b 31 | .3;1-2-3;2-2-3;2-1-9;..4.....3;1 |
61200 | 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 34 2d 33 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 33 2d 33 | -2-3;1-1-9;2-4-3;..5.....3;1-3-3 |
61220 | 3b 32 2d 34 2d 33 3b 32 2d 31 2d 39 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 | ;2-4-3;2-1-9;..6.....3;1-2-3;2-3 |
61240 | 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b | -3;2-1-19;..7.....3;1-3-3;2-4-3; |
61260 | 32 2d 31 2d 39 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 39 00 | 2-1-9;..8.....3;1-2-3;2-3-3;..9. |
61280 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 | ....3;1-2-3;2-2-3;..10.....3;1-2 |
612a0 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | -3;2-2-3;..11.....3;1-2-3;2-2-3; |
612c0 | 32 2d 31 2d 39 3b 00 02 31 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 34 | 2-1-9;..12.....3;1-2-3;1-1-9;2-4 |
612e0 | 2d 33 3b 00 02 31 33 00 0f 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 00 00 02 73 6d | -3;..13.....9;1-2-3;2-4-3;....sm |
61300 | 69 6c 65 73 00 17 00 00 00 4e 63 31 63 63 63 32 63 28 63 31 29 63 31 63 63 63 63 63 31 6f 32 00 | iles.....Nc1ccc2c(c1)c1ccccc1o2. |
61320 | 02 69 6e 63 68 69 00 45 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 39 4e 4f 2f 63 31 33 2d | .inchi.E...InChI=1S/C12H9NO/c13- |
61340 | 38 2d 35 2d 36 2d 31 32 2d 31 30 28 37 2d 38 29 39 2d 33 2d 31 2d 32 2d 34 2d 31 31 28 39 29 31 | 8-5-6-12-10(7-8)9-3-1-2-4-11(9)1 |
61360 | 34 2d 31 32 2f 68 31 2d 37 48 2c 31 33 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 0d ce 65 46 | 4-12/h1-7H,13H2..updated_at...eF |
61380 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 0c ce 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at...eFP....default |
613a0 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 a1 02 00 00 07 5f 69 64 00 | _fingerprint_size..........._id. |
613c0 | 56 16 1e 28 2b 72 ed 2b 40 00 02 de 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..(+r.+@....warnings.......fing |
613e0 | 65 72 70 72 69 6e 74 73 00 ab 01 00 00 04 4d 50 32 44 00 a0 01 00 00 02 30 00 10 00 00 00 31 35 | erprints......MP2D......0.....15 |
61400 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | ;1-1-3;2-2-3;..1.....3;1-2-3;1-1 |
61420 | 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | -15;2-2-3;..2.....3;1-2-3;2-2-3; |
61440 | 32 2d 31 2d 31 35 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | 2-1-15;..3.....3;1-2-3;2-2-3;2-1 |
61460 | 2d 38 3b 00 02 34 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 | -8;..4.....3;1-2-3;1-1-8;2-1-1;2 |
61480 | 2d 32 2d 33 3b 00 02 35 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 | -2-3;..5.....3;1-1-1;1-2-3;2-3-3 |
614a0 | 3b 32 2d 31 2d 38 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 | ;2-1-8;..6.....3;1-2-3;2-1-1;2-2 |
614c0 | 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b | -3;2-1-15;..7.....1;1-2-3;2-4-3; |
614e0 | 00 02 38 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 39 00 | ..8.....3;1-1-1;1-2-3;2-3-3;..9. |
61500 | 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 0f 00 00 | ....3;1-2-3;2-1-1;2-2-3;..10.... |
61520 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b | .3;1-2-3;2-2-3;..11.....3;1-2-3; |
61540 | 32 2d 32 2d 33 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | 2-2-3;..12.....3;1-2-3;2-2-3;..1 |
61560 | 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f | 3.....3;1-2-3;2-1-1;2-2-3;..14.. |
61580 | 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 | ...8;1-1-3;2-2-3;....smiles..... |
615a0 | 43 6c 63 31 63 63 63 28 63 28 63 31 29 43 63 31 63 63 63 63 63 31 29 4f 00 02 69 6e 63 68 69 00 | Clc1ccc(c(c1)Cc1ccccc1)O..inchi. |
615c0 | 4d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 33 48 31 31 43 6c 4f 2f 63 31 34 2d 31 32 2d 36 2d | M...InChI=1S/C13H11ClO/c14-12-6- |
615e0 | 37 2d 31 33 28 31 35 29 31 31 28 39 2d 31 32 29 38 2d 31 30 2d 34 2d 32 2d 31 2d 33 2d 35 2d 31 | 7-13(15)11(9-12)8-10-4-2-1-3-5-1 |
61600 | 30 2f 68 31 2d 37 2c 39 2c 31 35 48 2c 38 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 17 ce 65 | 0/h1-7,9,15H,8H2..updated_at...e |
61620 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 16 ce 65 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at...eFP....defaul |
61640 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 f9 02 00 00 07 5f 69 64 | t_fingerprint_size..........._id |
61660 | 00 56 16 1e 28 2b 72 ed 2b 40 00 02 df 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..(+r.+@....warnings.......fin |
61680 | 67 65 72 70 72 69 6e 74 73 00 fd 01 00 00 04 4d 50 32 44 00 f2 01 00 00 02 30 00 0f 00 00 00 31 | gerprints......MP2D......0.....1 |
616a0 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 | ;1-1-8;2-1-3;..1.....8;1-1-1;1-1 |
616c0 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 | -3;2-2-3;..2."...3;1-2-3;1-1-8;2 |
616e0 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 1b 00 00 00 33 3b 31 2d 32 2d | -1-1;2-2-3;2-1-19;..3.....3;1-2- |
61700 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 34 00 1b 00 00 00 33 3b 31 2d | 3;2-2-3;2-1-6;2-1-8;..4.....3;1- |
61720 | 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 35 00 15 00 00 00 36 3b | 2-3;1-1-6;2-2-3;2-1-6;..5.....6; |
61740 | 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 33 2d 33 3b 00 02 36 00 15 00 00 00 36 3b 31 2d 31 2d | 1-1-3;1-1-6;2-3-3;..6.....6;1-1- |
61760 | 33 3b 31 2d 31 2d 36 3b 32 2d 33 2d 33 3b 00 02 37 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 3;1-1-6;2-3-3;..7.....3;1-2-3;1- |
61780 | 31 2d 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | 1-6;2-2-3;2-1-6;..8.....3;1-2-3; |
617a0 | 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-2-3;2-1-6;..9.....3;1-2-3;2-2- |
617c0 | 33 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 0f 00 | 3;..10.....3;1-2-3;2-2-3;..11... |
617e0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 | ..3;1-2-3;2-2-3;..12.....3;1-2-3 |
61800 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-3;2-1-6;..13.....3;1-2-3;2- |
61820 | 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 2-3;2-1-6;..14.....3;1-2-3;2-2-3 |
61840 | 3b 32 2d 31 2d 31 39 3b 00 02 31 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b | ;2-1-19;..15.....3;1-2-3;1-1-19; |
61860 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 36 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d | 2-2-3;2-1-8;..16.....19;1-1-3;2- |
61880 | 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 43 4f 63 31 63 63 28 4e 3d 4e 63 32 63 | 2-3;....smiles.....COc1cc(N=Nc2c |
618a0 | 63 63 63 63 32 29 63 63 63 31 4e 00 02 69 6e 63 68 69 00 53 00 00 00 49 6e 43 68 49 3d 31 53 2f | cccc2)ccc1N..inchi.S...InChI=1S/ |
618c0 | 43 31 33 48 31 33 4e 33 4f 2f 63 31 2d 31 37 2d 31 33 2d 39 2d 31 31 28 37 2d 38 2d 31 32 28 31 | C13H13N3O/c1-17-13-9-11(7-8-12(1 |
618e0 | 33 29 31 34 29 31 36 2d 31 35 2d 31 30 2d 35 2d 33 2d 32 2d 34 2d 36 2d 31 30 2f 68 32 2d 39 48 | 3)14)16-15-10-5-3-2-4-6-10/h2-9H |
61900 | 2c 31 34 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 2a ce 65 46 50 01 00 00 09 63 | ,14H2,1H3..updated_at.*.eFP....c |
61920 | 72 65 61 74 65 64 5f 61 74 00 28 ce 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.(.eFP....default_finge |
61940 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 10 04 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 | rprint_size..........._id.V..(+r |
61960 | ed 2b 40 00 02 e0 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .+@....warnings.......fingerprin |
61980 | 74 73 00 ec 02 00 00 04 4d 50 32 44 00 e1 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b | ts......MP2D......0.....1;1-1-1; |
619a0 | 32 2d 31 2d 31 3b 00 02 31 00 10 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 32 | 2-1-1;..1.....1;1-2-1;2-1-19;..2 |
619c0 | 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b | .....1;1-1-1;1-1-19;2-2-1;2-1-3; |
619e0 | 00 02 33 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 | ..3.....19;1-2-1;1-1-3;2-2-1;2-2 |
61a00 | 2d 33 3b 00 02 34 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b | -3;..4.#...3;1-2-3;1-1-19;2-2-1; |
61a20 | 32 2d 32 2d 33 3b 32 2d 32 2d 31 39 3b 00 02 35 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | 2-2-3;2-2-19;..5.#...3;1-2-3;1-1 |
61a40 | 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 36 00 1c 00 00 00 33 | -19;2-2-3;2-2-9;2-1-19;..6.....3 |
61a60 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 1c 00 | ;1-2-3;2-1-1;2-2-3;2-1-19;..7... |
61a80 | 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 38 | ..3;1-1-1;1-2-3;2-2-3;2-3-16;..8 |
61aa0 | 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b | .....3;1-2-3;2-1-1;2-2-3;2-1-19; |
61ac0 | 00 02 39 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 | ..9.#...3;1-2-3;1-1-19;2-2-3;2-2 |
61ae0 | 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d | -9;2-1-19;..10.....19;1-1-3;1-2- |
61b00 | 39 3b 32 2d 32 2d 33 3b 00 02 31 31 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b | 9;2-2-3;..11.....9;1-1-19;2-1-3; |
61b20 | 32 2d 31 2d 39 3b 00 02 31 32 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d | 2-1-9;..12.....9;1-1-19;2-1-3;2- |
61b40 | 31 2d 39 3b 00 02 31 33 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 3b 32 2d 32 2d | 1-9;..13.....1;1-1-3;1-3-16;2-2- |
61b60 | 33 3b 00 02 31 34 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 | 3;..14.....16;1-1-1;2-1-3;2-2-16 |
61b80 | 3b 00 02 31 35 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b | ;..15.....16;1-1-1;2-1-3;2-2-16; |
61ba0 | 00 02 31 36 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 | ..16.....16;1-1-1;2-1-3;2-2-16;. |
61bc0 | 02 31 37 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 31 | .17.....19;1-1-3;1-2-9;2-2-3;..1 |
61be0 | 38 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 39 00 | 8.....9;1-1-19;2-1-3;2-1-9;..19. |
61c00 | 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 30 00 1c 00 | ....9;1-1-19;2-1-3;2-1-9;..20... |
61c20 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 | ..1;1-1-1;1-1-19;2-2-1;2-1-3;..2 |
61c40 | 31 00 10 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 32 32 00 0f 00 00 00 31 3b | 1.....1;1-2-1;2-1-19;..22.....1; |
61c60 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 2c 00 00 00 43 43 43 4e 28 | 1-1-1;2-1-1;....smiles.,...CCCN( |
61c80 | 63 31 63 28 63 63 28 63 63 31 4e 28 3d 4f 29 3d 4f 29 43 28 46 29 28 46 29 46 29 4e 28 3d 4f 29 | c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O) |
61ca0 | 3d 4f 29 43 43 43 00 02 69 6e 63 68 69 00 68 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 33 48 31 | =O)CCC..inchi.h...InChI=1S/C13H1 |
61cc0 | 36 46 33 4e 33 4f 34 2f 63 31 2d 33 2d 35 2d 31 37 28 36 2d 34 2d 32 29 31 32 2d 31 30 28 31 38 | 6F3N3O4/c1-3-5-17(6-4-2)12-10(18 |
61ce0 | 28 32 30 29 32 31 29 37 2d 39 28 31 33 28 31 34 2c 31 35 29 31 36 29 38 2d 31 31 28 31 32 29 31 | (20)21)7-9(13(14,15)16)8-11(12)1 |
61d00 | 39 28 32 32 29 32 33 2f 68 37 2d 38 48 2c 33 2d 36 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 74 | 9(22)23/h7-8H,3-6H2,1-2H3..updat |
61d20 | 65 64 5f 61 74 00 38 ce 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 37 ce 65 46 50 01 | ed_at.8.eFP....created_at.7.eFP. |
61d40 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
61d60 | 00 19 04 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 e1 04 77 61 72 6e 69 6e 67 73 00 | ......_id.V..(+r.+@....warnings. |
61d80 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 f1 02 00 00 04 4d 50 32 44 00 e6 02 00 | ......fingerprints......MP2D.... |
61da0 | 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 | ..0.....1;1-1-19;2-1-1;2-1-3;..1 |
61dc0 | 00 1d 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 | .....19;1-2-1;1-1-3;2-2-3;2-1-10 |
61de0 | 3b 00 02 32 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 33 2d 31 3b 32 2d | ;..2.#...3;1-2-3;1-1-19;2-3-1;2- |
61e00 | 31 2d 39 3b 32 2d 32 2d 31 31 3b 00 02 33 00 30 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 | 1-9;2-2-11;..3.0...3;1-1-1;1-1-3 |
61e20 | 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 | ;1-1-11;2-1-1;2-1-3;2-1-11;2-1-1 |
61e40 | 39 3b 00 02 34 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 | 9;..4.....1;1-1-3;2-1-3;2-1-11;. |
61e60 | 02 35 00 23 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 | .5.#...11;1-1-1;1-1-3;1-1-11;2-1 |
61e80 | 2d 31 3b 32 2d 33 2d 33 3b 00 02 36 00 23 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 | -1;2-3-3;..6.#...11;1-2-3;1-1-11 |
61ea0 | 3b 32 2d 31 2d 31 3b 32 2d 34 2d 33 3b 32 2d 31 2d 39 3b 00 02 37 00 2a 00 00 00 33 3b 31 2d 31 | ;2-1-1;2-4-3;2-1-9;..7.*...3;1-1 |
61ec0 | 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 | -3;1-1-9;1-1-11;2-2-3;2-1-11;2-1 |
61ee0 | 2d 31 39 3b 00 02 38 00 16 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 | -19;..8.....9;1-1-3;2-1-3;2-1-11 |
61f00 | 3b 00 02 39 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d | ;..9.....3;1-2-3;1-1-11;2-3-3;2- |
61f20 | 31 2d 31 31 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 1-11;..10.....3;1-2-3;2-2-3;2-1- |
61f40 | 31 31 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 0f | 11;..11.....3;1-2-3;2-2-3;..12.. |
61f60 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d | ...3;1-2-3;2-2-3;..13.....3;1-2- |
61f80 | 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 3;2-2-3;..14.....3;1-2-3;2-2-3;2 |
61fa0 | 2d 31 2d 31 31 3b 00 02 31 35 00 17 00 00 00 31 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d | -1-11;..15.....1;1-1-11;2-1-3;2- |
61fc0 | 31 2d 31 31 3b 00 02 31 36 00 29 00 00 00 31 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 31 39 3b 32 2d | 1-11;..16.)...1;1-1-10;1-1-19;2- |
61fe0 | 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 31 37 00 1d 00 00 00 31 | 1-1;2-1-3;2-1-8;2-2-9;..17.....1 |
62000 | 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 38 00 | 0;1-1-1;1-1-8;1-2-9;2-1-19;..18. |
62020 | 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 | ....9;1-1-10;2-1-1;2-1-8;2-1-9;. |
62040 | 02 31 39 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 | .19.....9;1-1-10;2-1-1;2-1-8;2-1 |
62060 | 2d 39 3b 00 02 32 30 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 32 2d 39 | -9;..20.....8;1-1-10;2-1-1;2-2-9 |
62080 | 3b 00 00 00 02 73 6d 69 6c 65 73 00 29 00 00 00 43 4e 28 63 31 63 28 43 29 6e 28 6e 28 63 31 3d | ;....smiles.)...CN(c1c(C)n(n(c1= |
620a0 | 4f 29 63 31 63 63 63 63 63 31 29 43 29 43 53 28 3d 4f 29 28 3d 4f 29 4f 00 02 69 6e 63 68 69 00 | O)c1ccccc1)C)CS(=O)(=O)O..inchi. |
620c0 | 6f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 33 48 31 37 4e 33 4f 34 53 2f 63 31 2d 31 30 2d 31 | o...InChI=1S/C13H17N3O4S/c1-10-1 |
620e0 | 32 28 31 34 28 32 29 39 2d 32 31 28 31 38 2c 31 39 29 32 30 29 31 33 28 31 37 29 31 36 28 31 35 | 2(14(2)9-21(18,19)20)13(17)16(15 |
62100 | 28 31 30 29 33 29 31 31 2d 37 2d 35 2d 34 2d 36 2d 38 2d 31 31 2f 68 34 2d 38 48 2c 39 48 32 2c | (10)3)11-7-5-4-6-8-11/h4-8H,9H2, |
62120 | 31 2d 33 48 33 2c 28 48 2c 31 38 2c 31 39 2c 32 30 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 40 | 1-3H3,(H,18,19,20)..updated_at.@ |
62140 | ce 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 3e ce 65 46 50 01 00 00 10 64 65 66 61 | .eFP....created_at.>.eFP....defa |
62160 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 82 03 00 00 07 5f | ult_fingerprint_size..........._ |
62180 | 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 e2 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..(+r.+@....warnings.......f |
621a0 | 69 6e 67 65 72 70 72 69 6e 74 73 00 66 02 00 00 04 4d 50 32 44 00 5b 02 00 00 02 30 00 0f 00 00 | ingerprints.f....MP2D.[....0.... |
621c0 | 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 | .1;1-1-1;2-1-1;..1.....1;1-2-1;2 |
621e0 | 2d 31 2d 35 3b 00 02 32 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 | -1-5;..2.....1;1-1-1;1-1-5;2-2-1 |
62200 | 3b 32 2d 31 2d 33 30 3b 00 02 33 00 22 00 00 00 35 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 30 3b 32 | ;2-1-30;..3."...5;1-2-1;1-1-30;2 |
62220 | 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 02 34 00 22 00 00 00 33 30 3b 31 2d 31 2d | -2-1;2-1-3;2-2-9;..4."...30;1-1- |
62240 | 33 3b 31 2d 31 2d 35 3b 31 2d 32 2d 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 1c 00 | 3;1-1-5;1-2-9;2-2-1;2-2-3;..5... |
62260 | 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 35 3b 32 2d 31 2d 39 3b 00 02 36 | ..9;1-1-30;2-1-3;2-1-5;2-1-9;..6 |
62280 | 00 1c 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 35 3b 32 2d 31 2d 39 3b | .....9;1-1-30;2-1-3;2-1-5;2-1-9; |
622a0 | 00 02 37 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 33 30 3b 32 2d 32 2d 33 3b 32 2d 31 | ..7."...3;1-2-3;1-1-30;2-2-3;2-1 |
622c0 | 2d 35 3b 32 2d 32 2d 39 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | -5;2-2-9;..8.....3;1-2-3;2-2-3;2 |
622e0 | 2d 31 2d 33 30 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d | -1-30;..9.....3;1-2-3;2-1-2;2-2- |
62300 | 33 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 3;..10.....3;1-1-2;1-2-3;2-2-3;2 |
62320 | 2d 32 2d 33 32 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 | -2-32;..11.....3;1-2-3;2-1-2;2-2 |
62340 | 2d 33 3b 00 02 31 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 | -3;..12.....3;1-2-3;2-2-3;2-1-30 |
62360 | 3b 00 02 31 33 00 16 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 32 2d 33 32 3b 32 2d 32 2d 33 3b 00 | ;..13.....2;1-1-3;1-2-32;2-2-3;. |
62380 | 02 31 34 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 | .14.....32;1-1-2;2-1-3;2-1-32;.. |
623a0 | 31 35 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 | 15.....32;1-1-2;2-1-3;2-1-32;..1 |
623c0 | 36 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 30 | 6.....1;1-1-1;1-1-5;2-2-1;2-1-30 |
623e0 | 3b 00 02 31 37 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 38 00 0f 00 00 | ;..17.....1;1-2-1;2-1-5;..18.... |
62400 | 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 23 00 00 00 43 43 | .1;1-1-1;2-1-1;....smiles.#...CC |
62420 | 43 4e 28 53 28 3d 4f 29 28 3d 4f 29 63 31 63 63 63 28 63 63 31 29 43 28 3d 4f 29 4f 29 43 43 43 | CN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC |
62440 | 00 02 69 6e 63 68 69 00 69 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 33 48 31 39 4e 4f 34 53 2f | ..inchi.i...InChI=1S/C13H19NO4S/ |
62460 | 63 31 2d 33 2d 39 2d 31 34 28 31 30 2d 34 2d 32 29 31 39 28 31 37 2c 31 38 29 31 32 2d 37 2d 35 | c1-3-9-14(10-4-2)19(17,18)12-7-5 |
62480 | 2d 31 31 28 36 2d 38 2d 31 32 29 31 33 28 31 35 29 31 36 2f 68 35 2d 38 48 2c 33 2d 34 2c 39 2d | -11(6-8-12)13(15)16/h5-8H,3-4,9- |
624a0 | 31 30 48 32 2c 31 2d 32 48 33 2c 28 48 2c 31 35 2c 31 36 29 00 09 75 70 64 61 74 65 64 5f 61 74 | 10H2,1-2H3,(H,15,16)..updated_at |
624c0 | 00 4b ce 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 49 ce 65 46 50 01 00 00 10 64 65 | .K.eFP....created_at.I.eFP....de |
624e0 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 2a 03 00 00 | fault_fingerprint_size......*... |
62500 | 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 e3 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V..(+r.+@....warnings...... |
62520 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 24 02 00 00 04 4d 50 32 44 00 19 02 00 00 02 30 00 17 | .fingerprints.$....MP2D......0.. |
62540 | 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 31 00 16 00 00 | ...15;1-1-1;2-1-1;2-1-15;..1.... |
62560 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 32 00 1c 00 00 00 31 3b | .1;1-1-1;1-2-15;2-2-3;..2.....1; |
62580 | 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 33 00 1b 00 00 | 1-1-1;1-2-3;2-4-3;2-2-15;..3.... |
625a0 | 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 34 00 15 | .3;1-1-1;1-2-3;2-1-1;2-3-3;..4.. |
625c0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 16 00 00 00 33 | ...3;1-2-3;2-1-1;2-2-3;..5.....3 |
625e0 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 36 00 16 00 00 00 33 3b 31 2d | ;1-2-3;2-2-3;2-1-15;..6.....3;1- |
62600 | 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;1-1-15;2-2-3;..7.....3;1-2-3 |
62620 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-3;2-1-15;..8.....3;1-2-3;2- |
62640 | 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | 1-1;2-2-3;..9.....15;1-1-3;2-2-3 |
62660 | 3b 00 02 31 30 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | ;..10.....3;1-1-1;1-2-3;2-1-1;2- |
62680 | 33 2d 33 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | 3-3;..11.....3;1-2-3;2-1-1;2-2-3 |
626a0 | 3b 00 02 31 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 | ;..12.....3;1-2-3;2-2-3;2-1-15;. |
626c0 | 02 31 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 31 | .13.....3;1-2-3;1-1-15;2-2-3;..1 |
626e0 | 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 35 00 | 4.....3;1-2-3;2-2-3;2-1-15;..15. |
62700 | 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 36 00 10 00 00 | ....3;1-2-3;2-1-1;2-2-3;..16.... |
62720 | 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 37 00 17 00 00 00 31 35 3b 31 2d 31 2d | .15;1-1-3;2-2-3;..17.....15;1-1- |
62740 | 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 23 00 00 00 43 6c | 1;2-1-1;2-1-15;....smiles.#...Cl |
62760 | 43 28 43 28 63 31 63 63 63 28 63 63 31 29 43 6c 29 63 31 63 63 63 28 63 63 31 29 43 6c 29 43 6c | C(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl |
62780 | 00 02 69 6e 63 68 69 00 53 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 30 43 6c 34 2f 63 | ..inchi.S...InChI=1S/C14H10Cl4/c |
627a0 | 31 35 2d 31 31 2d 35 2d 31 2d 39 28 32 2d 36 2d 31 31 29 31 33 28 31 34 28 31 37 29 31 38 29 31 | 15-11-5-1-9(2-6-11)13(14(17)18)1 |
627c0 | 30 2d 33 2d 37 2d 31 32 28 31 36 29 38 2d 34 2d 31 30 2f 68 31 2d 38 2c 31 33 2d 31 34 48 00 09 | 0-3-7-12(16)8-4-10/h1-8,13-14H.. |
627e0 | 75 70 64 61 74 65 64 5f 61 74 00 52 ce 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 50 | updated_at.R.eFP....created_at.P |
62800 | ce 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | .eFP....default_fingerprint_size |
62820 | 00 00 00 00 00 00 a1 03 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 e4 04 77 61 72 6e | ..........._id.V..(+r.+@....warn |
62840 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 8a 02 00 00 04 4d 50 32 | ings.......fingerprints......MP2 |
62860 | 44 00 7f 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 00 02 31 00 15 | D......0.....1;1-1-9;2-1-2;..1.. |
62880 | 00 00 00 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 02 32 00 21 00 00 00 32 | ...9;1-1-1;1-1-2;2-2-2;..2.!...2 |
628a0 | 3b 31 2d 32 2d 32 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 39 3b 00 | ;1-2-2;1-1-9;2-1-1;2-2-2;2-1-9;. |
628c0 | 02 33 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 33 2d 32 3b 32 2d 31 2d 39 3b 00 02 34 00 16 | .3.....2;1-2-2;2-3-2;2-1-9;..4.. |
628e0 | 00 00 00 32 3b 31 2d 33 2d 32 3b 32 2d 32 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 35 00 1d 00 00 00 | ...2;1-3-2;2-2-2;2-1-19;..5..... |
62900 | 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 32 3b 32 2d 31 2d 32 38 3b 00 02 36 00 | 2;1-1-2;1-1-19;2-2-2;2-1-28;..6. |
62920 | 17 00 00 00 31 39 3b 31 2d 31 2d 32 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 32 3b 00 02 37 00 23 00 | ....19;1-1-2;1-1-28;2-2-2;..7.#. |
62940 | 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d | ..28;1-1-2;1-1-19;2-1-2;2-1-3;2- |
62960 | 31 2d 39 3b 00 02 38 00 23 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 | 1-9;..8.#...2;1-1-3;1-1-9;1-1-28 |
62980 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 39 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d | ;2-2-3;2-1-19;..9.....9;1-1-2;2- |
629a0 | 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 22 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d | 1-3;2-1-28;..10."...3;1-1-2;1-2- |
629c0 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 31 00 1c 00 00 00 33 3b | 3;2-2-3;2-1-9;2-1-28;..11.....3; |
629e0 | 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 32 00 16 00 | 1-2-3;2-1-2;2-1-3;2-1-11;..12... |
62a00 | 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 33 00 10 00 00 00 | ..3;1-1-3;1-1-11;2-2-3;..13..... |
62a20 | 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 31 2d 33 3b | 11;1-2-3;2-2-3;..14.....3;1-1-3; |
62a40 | 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 1-1-11;2-2-3;..15.....3;1-2-3;2- |
62a60 | 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 36 00 0f 00 00 00 32 3b 31 2d 32 2d | 1-2;2-1-3;2-1-11;..16.....2;1-2- |
62a80 | 32 3b 32 2d 33 2d 32 3b 00 02 31 37 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 32 2d 32 3b 32 | 2;2-3-2;..17.....2;1-2-2;2-2-2;2 |
62aa0 | 2d 31 2d 39 3b 00 02 31 38 00 1b 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 39 3b 32 2d 32 2d | -1-9;..18.....2;1-2-2;1-1-9;2-2- |
62ac0 | 32 3b 32 2d 31 2d 39 3b 00 02 31 39 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 | 2;2-1-9;..19.....9;1-1-2;2-2-2;. |
62ae0 | 00 00 02 73 6d 69 6c 65 73 00 22 00 00 00 43 4f 43 31 3d 43 43 28 3d 43 4e 4e 43 28 3d 4f 29 63 | ...smiles."...COC1=CC(=CNNC(=O)c |
62b00 | 32 63 63 6e 63 63 32 29 43 3d 43 43 31 3d 4f 00 02 69 6e 63 68 69 00 65 00 00 00 49 6e 43 68 49 | 2ccncc2)C=CC1=O..inchi.e...InChI |
62b20 | 3d 31 53 2f 43 31 34 48 31 33 4e 33 4f 33 2f 63 31 2d 32 30 2d 31 33 2d 38 2d 31 30 28 32 2d 33 | =1S/C14H13N3O3/c1-20-13-8-10(2-3 |
62b40 | 2d 31 32 28 31 33 29 31 38 29 39 2d 31 36 2d 31 37 2d 31 34 28 31 39 29 31 31 2d 34 2d 36 2d 31 | -12(13)18)9-16-17-14(19)11-4-6-1 |
62b60 | 35 2d 37 2d 35 2d 31 31 2f 68 32 2d 39 2c 31 36 48 2c 31 48 33 2c 28 48 2c 31 37 2c 31 39 29 00 | 5-7-5-11/h2-9,16H,1H3,(H,17,19). |
62b80 | 09 75 70 64 61 74 65 64 5f 61 74 00 59 ce 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at.Y.eFP....created_at. |
62ba0 | 58 ce 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | X.eFP....default_fingerprint_siz |
62bc0 | 65 00 00 00 00 00 00 28 03 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 e5 04 77 61 72 | e......(...._id.V..(+r.+@....war |
62be0 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 17 02 00 00 04 4d 50 | nings.......fingerprints......MP |
62c00 | 32 44 00 0c 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 31 00 | 2D......0.....1;1-1-8;2-1-2;..1. |
62c20 | 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 | ....8;1-1-1;1-1-2;2-1-1;2-1-9;.. |
62c40 | 32 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b | 2.!...2;1-1-1;1-1-8;1-1-9;2-2-1; |
62c60 | 32 2d 31 2d 33 3b 00 02 33 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d | 2-1-3;..3.....9;1-1-2;2-1-1;2-1- |
62c80 | 38 3b 00 02 34 00 33 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d | 8;..4.3...1;1-1-1;1-1-2;1-1-3;2- |
62ca0 | 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 00 | 1-1;2-2-3;2-1-5;2-1-8;2-1-9;..5. |
62cc0 | 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d | !...3;1-1-1;1-2-3;2-1-1;2-1-2;2- |
62ce0 | 32 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | 2-3;..6.....3;1-2-3;2-1-1;2-2-3; |
62d00 | 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 00 33 3b | ..7.....3;1-2-3;2-2-3;..8.....3; |
62d20 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 1-2-3;2-2-3;..9.....3;1-2-3;2-2- |
62d40 | 33 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | 3;..10.....3;1-2-3;2-1-1;2-2-3;. |
62d60 | 02 31 31 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d | .11.!...1;1-2-1;1-1-5;2-2-1;2-1- |
62d80 | 32 3b 32 2d 31 2d 33 3b 00 02 31 32 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 | 2;2-1-3;..12.....1;1-2-1;2-2-1;2 |
62da0 | 2d 31 2d 35 3b 00 02 31 33 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 34 | -1-5;..13.....1;1-2-1;2-2-1;..14 |
62dc0 | 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 35 00 15 00 | .....1;1-2-1;2-1-1;2-1-5;..15... |
62de0 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 31 36 00 0f 00 00 00 35 | ..1;1-1-1;1-1-5;2-2-1;..16.....5 |
62e00 | 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 1b 00 00 00 43 4f 43 28 | ;1-2-1;2-3-1;....smiles.....COC( |
62e20 | 3d 4f 29 43 28 63 31 63 63 63 63 63 31 29 43 31 43 43 43 43 4e 31 00 02 69 6e 63 68 69 00 66 00 | =O)C(c1ccccc1)C1CCCCN1..inchi.f. |
62e40 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 39 4e 4f 32 2f 63 31 2d 31 37 2d 31 34 28 31 36 | ..InChI=1S/C14H19NO2/c1-17-14(16 |
62e60 | 29 31 33 28 31 31 2d 37 2d 33 2d 32 2d 34 2d 38 2d 31 31 29 31 32 2d 39 2d 35 2d 36 2d 31 30 2d | )13(11-7-3-2-4-8-11)12-9-5-6-10- |
62e80 | 31 35 2d 31 32 2f 68 32 2d 34 2c 37 2d 38 2c 31 32 2d 31 33 2c 31 35 48 2c 35 2d 36 2c 39 2d 31 | 15-12/h2-4,7-8,12-13,15H,5-6,9-1 |
62ea0 | 30 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 73 ce 65 46 50 01 00 00 09 63 72 65 | 0H2,1H3..updated_at.s.eFP....cre |
62ec0 | 61 74 65 64 5f 61 74 00 71 ce 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at.q.eFP....default_fingerp |
62ee0 | 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 2a 04 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b | rint_size......*...._id.V..(+r.+ |
62f00 | 40 00 02 e6 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 | @....warnings.......fingerprints |
62f20 | 00 00 03 00 00 04 4d 50 32 44 00 f5 02 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 | ......MP2D......0.....15;1-1-3;2 |
62f40 | 2d 32 2d 33 3b 00 02 31 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d | -2-3;..1.....3;1-2-3;1-1-15;2-2- |
62f60 | 33 3b 32 2d 31 2d 38 3b 00 02 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | 3;2-1-8;..2.....3;1-2-3;2-1-1;2- |
62f80 | 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 33 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 | 2-3;2-1-15;..3.....3;1-1-1;1-2-3 |
62fa0 | 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-3;2-3-16;..4.....3;1-2-3;2- |
62fc0 | 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | 1-1;2-2-3;..5.....3;1-2-3;2-2-3; |
62fe0 | 32 2d 31 2d 38 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d | 2-1-8;..6.....3;1-2-3;1-1-8;2-3- |
63000 | 33 3b 32 2d 31 2d 31 35 3b 00 02 37 00 0f 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 | 3;2-1-15;..7.....8;1-2-3;2-4-3;. |
63020 | 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 39 00 15 | .8.....3;1-2-3;1-1-8;2-3-3;..9.. |
63040 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 30 00 16 00 00 00 | ...3;1-2-3;2-2-3;2-1-8;..10..... |
63060 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 22 00 00 00 33 3b | 3;1-2-3;2-2-3;2-1-19;..11."...3; |
63080 | 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 | 1-2-3;1-1-19;2-1-2;2-2-3;2-2-9;. |
630a0 | 02 31 32 00 23 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | .12.#...3;1-1-2;1-2-3;2-2-3;2-1- |
630c0 | 31 39 3b 32 2d 32 2d 33 32 3b 00 02 31 33 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 | 19;2-2-32;..13.....3;1-2-3;2-1-2 |
630e0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 34 00 16 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d | ;2-2-3;2-1-8;..14.....2;1-1-3;1- |
63100 | 32 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 31 35 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 | 2-32;2-2-3;..15.....32;1-1-2;2-1 |
63120 | 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 36 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d | -3;2-1-32;..16.....32;1-1-2;2-1- |
63140 | 33 3b 32 2d 31 2d 33 32 3b 00 02 31 37 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 | 3;2-1-32;..17.....19;1-1-3;1-2-9 |
63160 | 3b 32 2d 32 2d 33 3b 00 02 31 38 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 | ;2-2-3;..18.....9;1-1-19;2-1-3;2 |
63180 | 2d 31 2d 39 3b 00 02 31 39 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 | -1-9;..19.....9;1-1-19;2-1-3;2-1 |
631a0 | 2d 39 3b 00 02 32 30 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 3b 32 2d 32 2d 33 | -9;..20.....1;1-1-3;1-3-16;2-2-3 |
631c0 | 3b 00 02 32 31 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b | ;..21.....16;1-1-1;2-1-3;2-2-16; |
631e0 | 00 02 32 32 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 | ..22.....16;1-1-1;2-1-3;2-2-16;. |
63200 | 02 32 33 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 00 | .23.....16;1-1-1;2-1-3;2-2-16;.. |
63220 | 00 02 73 6d 69 6c 65 73 00 2f 00 00 00 43 6c 63 31 63 63 28 63 63 63 31 4f 63 31 63 63 63 28 63 | ..smiles./...Clc1cc(ccc1Oc1ccc(c |
63240 | 28 63 31 29 43 28 3d 4f 29 4f 29 4e 28 3d 4f 29 3d 4f 29 43 28 46 29 28 46 29 46 00 02 69 6e 63 | (c1)C(=O)O)N(=O)=O)C(F)(F)F..inc |
63260 | 68 69 00 6b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 37 43 6c 46 33 4e 4f 35 2f 63 31 35 | hi.k...InChI=1S/C14H7ClF3NO5/c15 |
63280 | 2d 31 30 2d 35 2d 37 28 31 34 28 31 36 2c 31 37 29 31 38 29 31 2d 34 2d 31 32 28 31 30 29 32 34 | -10-5-7(14(16,17)18)1-4-12(10)24 |
632a0 | 2d 38 2d 32 2d 33 2d 31 31 28 31 39 28 32 32 29 32 33 29 39 28 36 2d 38 29 31 33 28 32 30 29 32 | -8-2-3-11(19(22)23)9(6-8)13(20)2 |
632c0 | 31 2f 68 31 2d 36 48 2c 28 48 2c 32 30 2c 32 31 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 7e ce | 1/h1-6H,(H,20,21)..updated_at.~. |
632e0 | 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 7d ce 65 46 50 01 00 00 10 64 65 66 61 75 | eFP....created_at.}.eFP....defau |
63300 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 88 03 00 00 07 5f 69 | lt_fingerprint_size..........._i |
63320 | 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 e7 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..(+r.+@....warnings.......fi |
63340 | 6e 67 65 72 70 72 69 6e 74 73 00 78 02 00 00 04 4d 50 32 44 00 6d 02 00 00 02 30 00 15 00 00 00 | ngerprints.x....MP2D.m....0..... |
63360 | 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 00 22 00 00 00 31 3b 31 2d | 8;1-1-1;2-1-1;2-2-3;..1."...1;1- |
63380 | 31 2d 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 34 2d 33 3b 32 2d 33 2d 31 35 3b 00 02 32 | 1-1;1-2-3;1-1-8;2-4-3;2-3-15;..2 |
633a0 | 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 33 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b | .....1;1-1-1;1-3-15;2-2-3;2-1-8; |
633c0 | 00 02 33 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 | ..3.....15;1-1-1;2-1-1;2-2-15;.. |
633e0 | 34 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 35 00 | 4.....15;1-1-1;2-1-1;2-2-15;..5. |
63400 | 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 36 00 21 00 | ....15;1-1-1;2-1-1;2-2-15;..6.!. |
63420 | 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d | ..3;1-1-1;1-2-3;2-1-1;2-3-3;2-1- |
63440 | 38 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 | 8;..7.....3;1-2-3;2-1-1;2-2-3;.. |
63460 | 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 39 00 16 | 8.....3;1-2-3;2-2-3;2-1-15;..9.. |
63480 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 31 30 00 16 00 00 | ...3;1-2-3;1-1-15;2-2-3;..10.... |
634a0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 31 00 15 00 00 00 33 | .3;1-2-3;2-2-3;2-1-15;..11.....3 |
634c0 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 32 00 10 00 00 00 31 35 3b 31 | ;1-2-3;2-1-1;2-2-3;..12.....15;1 |
634e0 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d | -1-3;2-2-3;..13.!...3;1-1-1;1-2- |
63500 | 33 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 34 00 15 00 00 00 33 3b 31 | 3;2-1-1;2-3-3;2-1-8;..14.....3;1 |
63520 | 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 35 00 16 00 00 00 33 3b 31 2d 32 2d | -2-3;2-1-1;2-2-3;..15.....3;1-2- |
63540 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | 3;2-2-3;2-1-15;..16.....3;1-2-3; |
63560 | 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 31 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 1-1-15;2-2-3;..17.....3;1-2-3;2- |
63580 | 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 2-3;2-1-15;..18.....3;1-2-3;2-1- |
635a0 | 31 3b 32 2d 32 2d 33 3b 00 02 31 39 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b | 1;2-2-3;..19.....15;1-1-3;2-2-3; |
635c0 | 00 00 00 02 73 6d 69 6c 65 73 00 2a 00 00 00 4f 43 28 43 28 43 6c 29 28 43 6c 29 43 6c 29 28 63 | ....smiles.*...OC(C(Cl)(Cl)Cl)(c |
635e0 | 31 63 63 63 28 63 63 31 29 43 6c 29 63 31 63 63 63 28 63 63 31 29 43 6c 00 02 69 6e 63 68 69 00 | 1ccc(cc1)Cl)c1ccc(cc1)Cl..inchi. |
63600 | 56 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 39 43 6c 35 4f 2f 63 31 35 2d 31 31 2d 35 2d | V...InChI=1S/C14H9Cl5O/c15-11-5- |
63620 | 31 2d 39 28 32 2d 36 2d 31 31 29 31 33 28 32 30 2c 31 34 28 31 37 2c 31 38 29 31 39 29 31 30 2d | 1-9(2-6-11)13(20,14(17,18)19)10- |
63640 | 33 2d 37 2d 31 32 28 31 36 29 38 2d 34 2d 31 30 2f 68 31 2d 38 2c 32 30 48 00 09 75 70 64 61 74 | 3-7-12(16)8-4-10/h1-8,20H..updat |
63660 | 65 64 5f 61 74 00 8d ce 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 8b ce 65 46 50 01 | ed_at...eFP....created_at...eFP. |
63680 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
636a0 | 00 ae 03 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 e8 04 77 61 72 6e 69 6e 67 73 00 | ......_id.V..(+r.+@....warnings. |
636c0 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 90 02 00 00 04 4d 50 32 44 00 85 02 00 | ......fingerprints......MP2D.... |
636e0 | 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 | ..0.....15;1-1-3;2-2-3;..1.....3 |
63700 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d | ;1-2-3;1-1-15;2-2-3;..2.....3;1- |
63720 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-2-3;2-1-15;..3.....3;1-2-3 |
63740 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 34 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | ;2-2-3;2-1-6;..4.....3;1-2-3;1-1 |
63760 | 2d 36 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 00 02 35 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 | -6;2-2-2;2-2-3;..5.....3;1-1-2;1 |
63780 | 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 32 2d 36 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 | -2-3;2-3-3;2-2-6;..6.....3;1-2-3 |
637a0 | 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 37 00 1b 00 00 00 32 3b 31 2d | ;2-1-2;2-2-3;2-1-15;..7.....2;1- |
637c0 | 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 34 2d 33 3b 00 02 38 00 21 00 00 00 36 3b | 2-3;1-1-6;2-1-1;2-4-3;..8.!...6; |
637e0 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 | 1-1-1;1-1-2;2-1-2;2-2-3;2-1-8;.. |
63800 | 39 00 27 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b | 9.'...1;1-1-2;1-1-6;1-1-8;2-1-2; |
63820 | 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 31 30 00 27 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-1-6;2-1-9;..10.'...2;1-1-1;1-1 |
63840 | 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 31 31 00 | -6;1-1-9;2-1-3;2-1-6;2-1-8;..11. |
63860 | 21 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d | !...6;1-1-2;1-1-3;2-1-1;2-2-3;2- |
63880 | 31 2d 39 3b 00 02 31 32 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 | 1-9;..12.....9;1-1-2;2-1-1;2-1-6 |
638a0 | 3b 00 02 31 33 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 | ;..13.....8;1-1-1;2-1-2;2-1-6;.. |
638c0 | 31 34 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 36 | 14.....3;1-1-2;1-2-3;2-3-3;2-1-6 |
638e0 | 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 | ;..15.....3;1-2-3;2-1-2;2-2-3;.. |
63900 | 31 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 37 00 0f 00 00 00 33 3b | 16.....3;1-2-3;2-2-3;..17.....3; |
63920 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 1-2-3;2-2-3;..18.....3;1-2-3;2-2 |
63940 | 2d 33 3b 00 02 31 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b | -3;..19.....3;1-2-3;2-1-2;2-2-3; |
63960 | 00 00 00 02 73 6d 69 6c 65 73 00 26 00 00 00 43 6c 63 31 63 63 63 32 63 28 63 31 29 43 28 3d 4e | ....smiles.&...Clc1ccc2c(c1)C(=N |
63980 | 43 28 43 28 3d 4e 32 29 4f 29 4f 29 63 31 63 63 63 63 63 31 00 02 69 6e 63 68 69 00 68 00 00 00 | C(C(=N2)O)O)c1ccccc1..inchi.h... |
639a0 | 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 31 31 43 6c 4e 32 4f 32 2f 63 31 36 2d 31 30 2d 36 2d 37 | InChI=1S/C15H11ClN2O2/c16-10-6-7 |
639c0 | 2d 31 32 2d 31 31 28 38 2d 31 30 29 31 33 28 39 2d 34 2d 32 2d 31 2d 33 2d 35 2d 39 29 31 38 2d | -12-11(8-10)13(9-4-2-1-3-5-9)18- |
639e0 | 31 35 28 32 30 29 31 34 28 31 39 29 31 37 2d 31 32 2f 68 31 2d 38 2c 31 35 2c 32 30 48 2c 28 48 | 15(20)14(19)17-12/h1-8,15,20H,(H |
63a00 | 2c 31 37 2c 31 39 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 98 ce 65 46 50 01 00 00 09 63 72 65 | ,17,19)..updated_at...eFP....cre |
63a20 | 61 74 65 64 5f 61 74 00 97 ce 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at...eFP....default_fingerp |
63a40 | 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 79 03 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b | rint_size......y...._id.V..(+r.+ |
63a60 | 40 00 02 e9 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 | @....warnings.......fingerprints |
63a80 | 00 63 02 00 00 04 4d 50 32 44 00 58 02 00 00 02 30 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d | .c....MP2D.X....0.....9;1-1-2;2- |
63aa0 | 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 00 27 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b | 1-1;2-1-6;..1.'...2;1-1-1;1-1-6; |
63ac0 | 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 32 00 1b 00 00 00 | 1-1-9;2-1-2;2-2-3;2-1-6;..2..... |
63ae0 | 36 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 32 2d 39 3b 00 02 33 00 1b 00 | 6;1-2-2;2-1-1;2-1-6;2-2-9;..3... |
63b00 | 00 00 32 3b 31 2d 32 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 00 | ..2;1-2-6;1-1-9;2-1-1;2-1-2;..4. |
63b20 | 27 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d | '...6;1-1-1;1-1-2;2-1-2;2-2-3;2- |
63b40 | 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 35 00 2d 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b | 1-6;2-1-9;..5.-...1;1-1-2;1-2-3; |
63b60 | 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 34 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 | 1-1-6;2-1-2;2-4-3;2-1-6;2-1-9;.. |
63b80 | 36 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b | 6.!...3;1-1-1;1-2-3;2-1-2;2-3-3; |
63ba0 | 32 2d 31 2d 36 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | 2-1-6;..7.....3;1-2-3;2-1-1;2-2- |
63bc0 | 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 | 3;..8.....3;1-2-3;2-2-3;..9..... |
63be0 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-2-3;2-2-3;..10.....3;1-2-3;2 |
63c00 | 2d 32 2d 33 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | -2-3;..11.....3;1-2-3;2-1-1;2-2- |
63c20 | 33 3b 00 02 31 32 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 | 3;..12.!...3;1-1-1;1-2-3;2-1-2;2 |
63c40 | 2d 33 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | -3-3;2-1-6;..13.....3;1-2-3;2-1- |
63c60 | 31 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | 1;2-2-3;..14.....3;1-2-3;2-2-3;. |
63c80 | 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 0f 00 00 00 33 | .15.....3;1-2-3;2-2-3;..16.....3 |
63ca0 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;1-2-3;2-2-3;..17.....3;1-2-3;2- |
63cc0 | 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 38 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 36 | 1-1;2-2-3;..18.....9;1-1-2;2-2-6 |
63ce0 | 3b 00 00 00 02 73 6d 69 6c 65 73 00 20 00 00 00 4f 43 31 3d 4e 43 28 3d 4e 43 31 28 63 31 63 63 | ;....smiles.....OC1=NC(=NC1(c1cc |
63d00 | 63 63 63 31 29 63 31 63 63 63 63 63 31 29 4f 00 02 69 6e 63 68 69 00 66 00 00 00 49 6e 43 68 49 | ccc1)c1ccccc1)O..inchi.f...InChI |
63d20 | 3d 31 53 2f 43 31 35 48 31 32 4e 32 4f 32 2f 63 31 38 2d 31 33 2d 31 35 28 31 37 2d 31 34 28 31 | =1S/C15H12N2O2/c18-13-15(17-14(1 |
63d40 | 39 29 31 36 2d 31 33 2c 31 31 2d 37 2d 33 2d 31 2d 34 2d 38 2d 31 31 29 31 32 2d 39 2d 35 2d 32 | 9)16-13,11-7-3-1-4-8-11)12-9-5-2 |
63d60 | 2d 36 2d 31 30 2d 31 32 2f 68 31 2d 31 30 48 2c 28 48 32 2c 31 36 2c 31 37 2c 31 38 2c 31 39 29 | -6-10-12/h1-10H,(H2,16,17,18,19) |
63d80 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 a7 ce 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at...eFP....created_at |
63da0 | 00 a5 ce 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | ...eFP....default_fingerprint_si |
63dc0 | 7a 65 00 00 00 00 00 00 ef 03 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 ea 04 77 61 | ze..........._id.V..(+r.+@....wa |
63de0 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 d0 02 00 00 04 4d | rnings.......fingerprints......M |
63e00 | 50 32 44 00 c5 02 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 31 3b 00 02 | P2D......0.....1;1-1-1;2-1-11;.. |
63e20 | 31 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 | 1.....1;1-1-1;1-1-11;2-1-3;2-1-1 |
63e40 | 31 3b 00 02 32 00 29 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b | 1;..2.)...11;1-1-1;1-1-3;1-1-11; |
63e60 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 33 00 1d 00 00 00 31 31 3b 31 2d 31 | 2-1-1;2-1-2;2-2-3;..3.....11;1-1 |
63e80 | 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 29 00 00 00 33 3b | -3;1-1-11;2-2-1;2-2-3;..4.)...3; |
63ea0 | 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 | 1-1-1;1-1-3;1-1-11;2-1-3;2-1-6;2 |
63ec0 | 2d 31 2d 31 31 3b 00 02 35 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d | -1-11;..5."...3;1-2-3;1-1-6;2-1- |
63ee0 | 31 3b 32 2d 32 2d 32 3b 32 2d 32 2d 31 31 3b 00 02 36 00 2f 00 00 00 33 3b 31 2d 31 2d 32 3b 31 | 1;2-2-2;2-2-11;..6./...3;1-1-2;1 |
63f00 | 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 36 3b 32 2d | -1-3;1-1-11;2-1-1;2-2-3;2-2-6;2- |
63f20 | 31 2d 31 31 3b 00 02 37 00 22 00 00 00 32 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 | 1-11;..7."...2;1-2-3;1-1-6;2-1-1 |
63f40 | 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 1b 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d | ;2-3-3;2-1-11;..8.....6;1-1-1;1- |
63f60 | 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 39 00 21 00 00 00 31 3b 31 2d 31 2d 32 3b | 1-2;2-1-2;2-2-3;..9.!...1;1-1-2; |
63f80 | 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 31 30 00 21 00 00 | 1-1-6;2-1-2;2-1-6;2-1-9;..10.!.. |
63fa0 | 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 | .2;1-1-1;1-1-6;1-1-9;2-1-3;2-1-6 |
63fc0 | 3b 00 02 31 31 00 21 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d | ;..11.!...6;1-1-2;1-1-3;2-1-1;2- |
63fe0 | 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 32 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 | 2-3;2-1-9;..12.....9;1-1-2;2-1-1 |
64000 | 3b 32 2d 31 2d 36 3b 00 02 31 33 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d | ;2-1-6;..13.....3;1-1-2;1-2-3;2- |
64020 | 33 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 | 3-3;2-1-6;..14.....3;1-2-3;2-1-2 |
64040 | 3b 32 2d 32 2d 33 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 | ;2-2-3;..15.....3;1-2-3;2-2-3;.. |
64060 | 31 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 37 00 0f 00 00 00 33 3b | 16.....3;1-2-3;2-2-3;..17.....3; |
64080 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | 1-2-3;2-2-3;..18.....3;1-2-3;2-1 |
640a0 | 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 39 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b | -2;2-2-3;..19.....1;1-1-3;2-1-3; |
640c0 | 32 2d 31 2d 31 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 23 00 00 00 43 43 6e 31 6e 63 28 63 32 63 | 2-1-11;....smiles.#...CCn1nc(c2c |
640e0 | 31 43 28 3d 4e 43 43 28 3d 4e 32 29 4f 29 63 31 63 63 63 63 63 31 29 43 00 02 69 6e 63 68 69 00 | 1C(=NCC(=N2)O)c1ccccc1)C..inchi. |
64100 | 6c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 31 36 4e 34 4f 2f 63 31 2d 33 2d 31 39 2d 31 | l...InChI=1S/C15H16N4O/c1-3-19-1 |
64120 | 35 2d 31 33 28 31 30 28 32 29 31 38 2d 31 39 29 31 37 2d 31 32 28 32 30 29 39 2d 31 36 2d 31 34 | 5-13(10(2)18-19)17-12(20)9-16-14 |
64140 | 28 31 35 29 31 31 2d 37 2d 35 2d 34 2d 36 2d 38 2d 31 31 2f 68 34 2d 38 48 2c 33 2c 39 48 32 2c | (15)11-7-5-4-6-8-11/h4-8H,3,9H2, |
64160 | 31 2d 32 48 33 2c 28 48 2c 31 37 2c 32 30 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 bb ce 65 46 | 1-2H3,(H,17,20)..updated_at...eF |
64180 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ba ce 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at...eFP....default |
641a0 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 e4 02 00 00 07 5f 69 64 00 | _fingerprint_size..........._id. |
641c0 | 56 16 1e 28 2b 72 ed 2b 40 00 02 eb 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..(+r.+@....warnings.......fing |
641e0 | 65 72 70 72 69 6e 74 73 00 e8 01 00 00 04 4d 50 32 44 00 dd 01 00 00 02 30 00 0f 00 00 00 31 3b | erprints......MP2D......0.....1; |
64200 | 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d | 1-1-3;2-2-3;..1.....3;1-1-1;1-2- |
64220 | 33 3b 32 2d 32 2d 33 3b 00 02 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d | 3;2-2-3;..2.....3;1-2-3;2-2-1;2- |
64240 | 32 2d 33 3b 00 02 33 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 31 3b | 2-3;..3.!...3;1-1-1;1-2-3;2-3-1; |
64260 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 2-2-3;2-1-8;..4.....3;1-2-3;1-1- |
64280 | 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d | 8;2-2-1;2-2-3;..5.!...3;1-1-1;1- |
642a0 | 32 2d 33 3b 32 2d 33 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 15 00 00 00 33 3b | 2-3;2-3-1;2-2-3;2-1-8;..6.....3; |
642c0 | 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 15 00 00 00 31 3b 31 2d 33 2d | 1-2-3;2-2-1;2-2-3;..7.....1;1-3- |
642e0 | 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d | 1;1-1-3;2-2-3;..8.....1;1-1-1;2- |
64300 | 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 39 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b | 2-1;2-1-3;..9.....1;1-1-1;2-2-1; |
64320 | 32 2d 31 2d 33 3b 00 02 31 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 | 2-1-3;..10.....1;1-1-1;2-2-1;2-1 |
64340 | 2d 33 3b 00 02 31 31 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 15 | -3;..11.....8;1-1-3;2-2-3;..12.. |
64360 | 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 15 00 00 00 | ...1;1-3-1;1-1-3;2-2-3;..13..... |
64380 | 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 34 00 15 00 00 00 31 3b 31 | 1;1-1-1;2-2-1;2-1-3;..14.....1;1 |
643a0 | 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 35 00 15 00 00 00 31 3b 31 2d 31 2d | -1-1;2-2-1;2-1-3;..15.....1;1-1- |
643c0 | 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 21 00 00 00 43 63 31 | 1;2-2-1;2-1-3;....smiles.!...Cc1 |
643e0 | 63 63 28 63 28 63 28 63 31 29 43 28 43 29 28 43 29 43 29 4f 29 43 28 43 29 28 43 29 43 00 02 69 | cc(c(c(c1)C(C)(C)C)O)C(C)(C)C..i |
64400 | 6e 63 68 69 00 4b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 32 34 4f 2f 63 31 2d 31 30 2d | nchi.K...InChI=1S/C15H24O/c1-10- |
64420 | 38 2d 31 31 28 31 34 28 32 2c 33 29 34 29 31 33 28 31 36 29 31 32 28 39 2d 31 30 29 31 35 28 35 | 8-11(14(2,3)4)13(16)12(9-10)15(5 |
64440 | 2c 36 29 37 2f 68 38 2d 39 2c 31 36 48 2c 31 2d 37 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 | ,6)7/h8-9,16H,1-7H3..updated_at. |
64460 | c5 ce 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c4 ce 65 46 50 01 00 00 10 64 65 66 | ..eFP....created_at...eFP....def |
64480 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 a0 04 00 00 07 | ault_fingerprint_size........... |
644a0 | 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 ec 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..(+r.+@....warnings....... |
644c0 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 6b 03 00 00 04 4d 50 32 44 00 60 03 00 00 02 30 00 17 00 | fingerprints.k....MP2D.`....0... |
644e0 | 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 00 16 00 00 00 | ..32;1-1-2;2-1-3;2-1-32;..1..... |
64500 | 32 3b 31 2d 31 2d 33 3b 31 2d 32 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 32 00 17 00 00 00 33 32 3b | 2;1-1-3;1-2-32;2-2-3;..2.....32; |
64520 | 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 33 00 29 00 00 00 33 3b 31 2d 31 | 1-1-2;2-1-3;2-1-32;..3.)...3;1-1 |
64540 | 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 32 2d 32 2d | -2;1-2-3;2-1-3;2-1-9;2-1-11;2-2- |
64560 | 33 32 3b 00 02 34 00 22 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b | 32;..4."...3;1-1-3;1-1-11;2-1-1; |
64580 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 35 00 1d 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 32 | 2-1-2;2-2-3;..5.....11;1-1-1;1-2 |
645a0 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 36 00 10 00 00 00 31 3b 31 2d 31 2d 31 31 | -3;2-2-3;2-1-11;..6.....1;1-1-11 |
645c0 | 3b 32 2d 32 2d 33 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 32 2d 31 31 3b 32 2d | ;2-2-3;..7.....3;1-1-3;1-2-11;2- |
645e0 | 31 2d 31 3b 32 2d 34 2d 33 3b 00 02 38 00 1c 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 32 2d 33 3b | 1-1;2-4-3;..8.....3;1-3-3;2-2-3; |
64600 | 32 2d 31 2d 39 3b 32 2d 32 2d 31 31 3b 00 02 39 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | 2-1-9;2-2-11;..9.....3;1-2-3;1-1 |
64620 | 2d 39 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 02 31 30 00 0f 00 00 00 39 3b 31 2d 31 2d 33 3b | -9;2-1-2;2-3-3;..10.....9;1-1-3; |
64640 | 32 2d 32 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 | 2-2-3;..11.....3;1-2-3;2-3-3;..1 |
64660 | 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 | 2.....3;1-2-3;2-1-2;2-1-3;2-1-11 |
64680 | 3b 00 02 31 33 00 22 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 | ;..13."...3;1-1-2;1-1-3;1-1-11;2 |
646a0 | 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 34 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 | -1-2;2-2-3;..14.....11;1-2-3;2-1 |
646c0 | 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 35 00 1c 00 00 00 32 3b 31 2d 31 2d 32 | -2;2-2-3;2-1-11;..15.....2;1-1-2 |
646e0 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 36 00 1b 00 00 00 32 3b 31 | ;1-1-3;2-2-3;2-1-11;..16.....2;1 |
64700 | 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 37 00 21 00 00 00 | -1-2;1-1-3;2-2-3;2-1-9;..17.!... |
64720 | 33 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b | 3;1-1-2;1-1-3;1-1-9;2-1-2;2-2-3; |
64740 | 00 02 31 38 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 | ..18.....3;1-2-3;2-1-2;2-1-3;2-1 |
64760 | 2d 39 3b 00 02 31 39 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b | -9;..19.....3;1-2-3;2-1-3;2-1-9; |
64780 | 32 2d 31 2d 31 39 3b 00 02 32 30 00 22 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d | 2-1-19;..20."...3;1-1-3;1-1-9;1- |
647a0 | 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 32 31 00 1c 00 00 00 39 3b 31 2d 32 2d | 1-19;2-2-3;2-2-9;..21.....9;1-2- |
647c0 | 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 32 32 00 1c 00 00 00 31 39 | 3;2-1-2;2-2-3;2-1-19;..22.....19 |
647e0 | 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 33 00 16 00 | ;1-1-3;1-2-9;2-1-3;2-1-9;..23... |
64800 | 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 34 00 16 00 00 00 | ..9;1-1-19;2-1-3;2-1-9;..24..... |
64820 | 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 | 9;1-1-19;2-1-3;2-1-9;....smiles. |
64840 | 31 00 00 00 4f 43 28 3d 4f 29 63 31 63 6e 28 43 29 63 32 63 28 63 31 3d 4f 29 63 63 63 28 6e 32 | 1...OC(=O)c1cn(C)c2c(c1=O)ccc(n2 |
64860 | 29 43 3d 43 63 31 63 63 63 28 6f 31 29 4e 28 3d 4f 29 3d 4f 00 02 69 6e 63 68 69 00 74 00 00 00 | )C=Cc1ccc(o1)N(=O)=O..inchi.t... |
64880 | 49 6e 43 68 49 3d 31 53 2f 43 31 36 48 31 31 4e 33 4f 36 2f 63 31 2d 31 38 2d 38 2d 31 32 28 31 | InChI=1S/C16H11N3O6/c1-18-8-12(1 |
648a0 | 36 28 32 31 29 32 32 29 31 34 28 32 30 29 31 31 2d 36 2d 33 2d 39 28 31 37 2d 31 35 28 31 31 29 | 6(21)22)14(20)11-6-3-9(17-15(11) |
648c0 | 31 38 29 32 2d 34 2d 31 30 2d 35 2d 37 2d 31 33 28 32 35 2d 31 30 29 31 39 28 32 33 29 32 34 2f | 18)2-4-10-5-7-13(25-10)19(23)24/ |
648e0 | 68 32 2d 38 48 2c 31 48 33 2c 28 48 2c 32 31 2c 32 32 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 | h2-8H,1H3,(H,21,22)..updated_at. |
64900 | d1 ce 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 cf ce 65 46 50 01 00 00 10 64 65 66 | ..eFP....created_at...eFP....def |
64920 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 fc 03 00 00 07 | ault_fingerprint_size........... |
64940 | 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 ed 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..(+r.+@....warnings....... |
64960 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ec 02 00 00 04 4d 50 32 44 00 e1 02 00 00 02 30 00 16 00 | fingerprints......MP2D......0... |
64980 | 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 00 29 00 00 00 32 | ..9;1-1-2;2-1-3;2-1-28;..1.)...2 |
649a0 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | ;1-1-3;1-1-9;1-1-28;2-1-1;2-2-3; |
649c0 | 32 2d 31 2d 32 38 3b 00 02 32 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 | 2-1-28;..2.(...3;1-1-2;1-2-3;2-1 |
649e0 | 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 33 00 15 00 00 00 33 3b | -1;2-2-3;2-1-9;2-1-28;..3.....3; |
64a00 | 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d | 1-2-3;2-1-2;2-2-3;..4.....3;1-2- |
64a20 | 33 3b 32 2d 32 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 | 3;2-2-3;..5.....3;1-2-3;2-2-3;.. |
64a40 | 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 22 00 | 6.....3;1-2-3;2-1-1;2-2-3;..7.". |
64a60 | 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d | ..3;1-1-1;1-2-3;2-1-2;2-2-3;2-1- |
64a80 | 32 38 3b 00 02 38 00 23 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b | 28;..8.#...1;1-1-3;1-1-28;2-1-2; |
64aa0 | 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 39 00 2f 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d | 2-2-3;2-1-28;..9./...28;1-1-1;1- |
64ac0 | 31 2d 32 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 | 1-2;1-1-28;2-1-1;2-1-2;2-2-3;2-1 |
64ae0 | 2d 39 3b 00 02 31 30 00 2f 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 32 | -9;..10./...28;1-1-1;1-1-2;1-1-2 |
64b00 | 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 31 00 23 | 8;2-1-1;2-1-2;2-2-3;2-1-9;..11.# |
64b20 | 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d | ...1;1-1-3;1-1-28;2-1-2;2-2-3;2- |
64b40 | 31 2d 32 38 3b 00 02 31 32 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 1-28;..12."...3;1-1-1;1-2-3;2-1- |
64b60 | 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | 2;2-2-3;2-1-28;..13.....3;1-2-3; |
64b80 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 2-1-1;2-2-3;..14.....3;1-2-3;2-2 |
64ba0 | 2d 33 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 15 | -3;..15.....3;1-2-3;2-2-3;..16.. |
64bc0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 37 00 28 00 00 00 | ...3;1-2-3;2-1-2;2-2-3;..17.(... |
64be0 | 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b | 3;1-1-2;1-2-3;2-1-1;2-2-3;2-1-9; |
64c00 | 32 2d 31 2d 32 38 3b 00 02 31 38 00 29 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d | 2-1-28;..18.)...2;1-1-3;1-1-9;1- |
64c20 | 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 39 00 16 00 00 | 1-28;2-1-1;2-2-3;2-1-28;..19.... |
64c40 | 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 6d 69 6c 65 73 | .9;1-1-2;2-1-3;2-1-28;....smiles |
64c60 | 00 1f 00 00 00 4f 3d 43 31 63 32 63 63 63 63 63 32 43 4e 32 4e 31 43 63 31 63 63 63 63 63 31 43 | .....O=C1c2ccccc2CN2N1Cc1ccccc1C |
64c80 | 32 3d 4f 00 02 69 6e 63 68 69 00 61 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 36 48 31 32 4e 32 | 2=O..inchi.a...InChI=1S/C16H12N2 |
64ca0 | 4f 32 2f 63 31 39 2d 31 35 2d 31 33 2d 37 2d 33 2d 31 2d 35 2d 31 31 28 31 33 29 39 2d 31 37 2d | O2/c19-15-13-7-3-1-5-11(13)9-17- |
64cc0 | 31 36 28 32 30 29 31 34 2d 38 2d 34 2d 32 2d 36 2d 31 32 28 31 34 29 31 30 2d 31 38 28 31 35 29 | 16(20)14-8-4-2-6-12(14)10-18(15) |
64ce0 | 31 37 2f 68 31 2d 38 48 2c 39 2d 31 30 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 d8 ce 65 46 | 17/h1-8H,9-10H2..updated_at...eF |
64d00 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d7 ce 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at...eFP....default |
64d20 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 ba 03 00 00 07 5f 69 64 00 | _fingerprint_size..........._id. |
64d40 | 56 16 1e 28 2b 72 ed 2b 40 00 02 ee 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..(+r.+@....warnings.......fing |
64d60 | 65 72 70 72 69 6e 74 73 00 9f 02 00 00 04 4d 50 32 44 00 94 02 00 00 02 30 00 0f 00 00 00 31 3b | erprints......MP2D......0.....1; |
64d80 | 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 1-1-1;2-1-8;..1.....1;1-1-1;1-1- |
64da0 | 38 3b 32 2d 31 2d 32 3b 00 02 32 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d | 8;2-1-2;..2.....8;1-1-1;1-1-2;2- |
64dc0 | 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 27 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b | 2-1;2-1-9;..3.'...2;1-1-1;1-1-8; |
64de0 | 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 15 00 00 00 | 1-1-9;2-1-1;2-2-3;2-1-8;..4..... |
64e00 | 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 27 00 00 00 31 3b 31 2d | 9;1-1-2;2-1-1;2-1-8;..5.'...1;1- |
64e20 | 31 2d 32 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 34 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d | 1-2;1-2-3;1-1-8;2-4-3;2-1-8;2-1- |
64e40 | 39 3b 00 02 36 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d | 9;..6.!...3;1-1-1;1-2-3;2-1-2;2- |
64e60 | 33 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b | 3-3;2-1-8;..7.....3;1-2-3;2-1-1; |
64e80 | 32 2d 32 2d 33 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 2-2-3;..8.....3;1-2-3;2-2-3;2-1- |
64ea0 | 31 35 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b | 15;..9.....3;1-2-3;1-1-15;2-2-3; |
64ec0 | 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 | ..10.....3;1-2-3;2-2-3;2-1-15;.. |
64ee0 | 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 32 00 | 11.....3;1-2-3;2-1-1;2-2-3;..12. |
64f00 | 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 21 00 00 00 33 3b 31 2d | ....15;1-1-3;2-2-3;..13.!...3;1- |
64f20 | 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 34 | 1-1;1-2-3;2-1-2;2-3-3;2-1-8;..14 |
64f40 | 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 35 00 16 00 | .....3;1-2-3;2-1-1;2-2-3;..15... |
64f60 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 36 00 16 00 00 00 | ..3;1-2-3;2-2-3;2-1-15;..16..... |
64f80 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 31 37 00 16 00 00 00 33 3b | 3;1-2-3;1-1-15;2-2-3;..17.....3; |
64fa0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 38 00 15 00 00 00 33 3b 31 2d | 1-2-3;2-2-3;2-1-15;..18.....3;1- |
64fc0 | 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 39 00 10 00 00 00 31 35 3b 31 2d 31 2d | 2-3;2-1-1;2-2-3;..19.....15;1-1- |
64fe0 | 33 3b 32 2d 32 2d 33 3b 00 02 32 30 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 | 3;2-2-3;..20.....8;1-1-1;2-1-2;2 |
65000 | 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 27 00 00 00 43 43 4f 43 28 3d 4f 29 43 28 63 31 | -2-3;....smiles.'...CCOC(=O)C(c1 |
65020 | 63 63 63 28 63 63 31 29 43 6c 29 28 63 31 63 63 63 28 63 63 31 29 43 6c 29 4f 00 02 69 6e 63 68 | ccc(cc1)Cl)(c1ccc(cc1)Cl)O..inch |
65040 | 69 00 64 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 36 48 31 34 43 6c 32 4f 33 2f 63 31 2d 32 2d | i.d...InChI=1S/C16H14Cl2O3/c1-2- |
65060 | 32 31 2d 31 35 28 31 39 29 31 36 28 32 30 2c 31 31 2d 33 2d 37 2d 31 33 28 31 37 29 38 2d 34 2d | 21-15(19)16(20,11-3-7-13(17)8-4- |
65080 | 31 31 29 31 32 2d 35 2d 39 2d 31 34 28 31 38 29 31 30 2d 36 2d 31 32 2f 68 33 2d 31 30 2c 32 30 | 11)12-5-9-14(18)10-6-12/h3-10,20 |
650a0 | 48 2c 32 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 df ce 65 46 50 01 00 00 09 63 | H,2H2,1H3..updated_at...eFP....c |
650c0 | 72 65 61 74 65 64 5f 61 74 00 de ce 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at...eFP....default_finge |
650e0 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 62 04 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 | rprint_size......b...._id.V..(+r |
65100 | ed 2b 40 00 02 ef 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .+@....warnings.......fingerprin |
65120 | 74 73 00 2d 03 00 00 04 4d 50 32 44 00 22 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b | ts.-....MP2D."....0.....1;1-1-1; |
65140 | 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 00 | 2-1-1;..1.....1;1-2-1;2-1-3;..2. |
65160 | 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 | ....1;1-1-1;1-1-3;2-1-1;2-2-3;.. |
65180 | 33 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | 3.!...3;1-1-1;1-2-3;2-1-1;2-2-3; |
651a0 | 32 2d 32 2d 38 3b 00 02 34 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d | 2-2-8;..4.....3;1-2-3;1-1-8;2-2- |
651c0 | 31 3b 32 2d 32 2d 33 3b 00 02 35 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d | 1;2-2-3;..5.....8;1-1-1;1-1-3;2- |
651e0 | 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b | 1-1;2-2-3;..6.....1;1-1-1;1-1-8; |
65200 | 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 37 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d | 2-1-1;2-1-3;..7.....1;1-2-1;2-1- |
65220 | 31 3b 32 2d 31 2d 38 3b 00 02 38 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d | 1;2-1-8;..8.....1;1-2-1;2-1-1;2- |
65240 | 31 2d 33 3b 00 02 39 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b | 1-3;..9.....1;1-1-1;1-1-3;2-1-1; |
65260 | 32 2d 32 2d 31 31 3b 00 02 31 30 00 1d 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 31 31 3b 32 | 2-2-11;..10.....3;1-1-1;1-2-11;2 |
65280 | 2d 31 2d 31 3b 32 2d 32 2d 31 31 3b 00 02 31 31 00 25 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d | -1-1;2-2-11;..11.%...11;1-1-3;1- |
652a0 | 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 02 31 32 00 1f 00 | 1-11;2-1-1;2-2-11;2-1-13;..12... |
652c0 | 00 00 31 31 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b | ..11;1-2-11;1-1-13;2-1-3;2-1-11; |
652e0 | 00 02 31 33 00 12 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 31 31 3b 00 02 31 34 00 1f | ..13.....13;1-1-11;2-2-11;..14.. |
65300 | 00 00 00 31 31 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 33 | ...11;1-2-11;2-1-3;2-1-11;2-1-13 |
65320 | 3b 00 02 31 35 00 1e 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b | ;..15.....11;1-1-3;1-1-11;2-1-1; |
65340 | 32 2d 32 2d 31 31 3b 00 02 31 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | 2-2-11;..16.....3;1-2-3;2-2-3;2- |
65360 | 31 2d 38 3b 00 02 31 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 | 1-8;..17.....3;1-2-3;2-1-2;2-2-3 |
65380 | 3b 00 02 31 38 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | ;..18.'...3;1-1-2;1-2-3;2-1-1;2- |
653a0 | 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 39 00 21 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-1-8;2-1-9;..19.!...3;1-2-3 |
653c0 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 30 00 0f 00 | ;1-1-8;2-1-1;2-1-2;2-2-3;..20... |
653e0 | 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 31 00 1b 00 00 00 32 3b 31 2d 31 2d 31 | ..8;1-1-3;2-2-3;..21.....2;1-1-1 |
65400 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 00 02 32 32 00 15 00 00 00 39 3b 31 2d | ;1-1-3;1-1-9;2-2-3;..22.....9;1- |
65420 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 33 00 15 00 00 00 31 3b 31 2d 31 2d 32 | 1-2;2-1-1;2-1-3;..23.....1;1-1-2 |
65440 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 26 00 00 00 43 43 43 63 | ;2-1-3;2-1-9;....smiles.&...CCCc |
65460 | 31 63 28 4f 43 43 43 43 63 32 6e 5b 6e 48 5d 6e 6e 32 29 63 63 63 28 63 31 4f 29 43 28 3d 4f 29 | 1c(OCCCCc2n[nH]nn2)ccc(c1O)C(=O) |
65480 | 43 00 02 69 6e 63 68 69 00 7f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 36 48 32 32 4e 34 4f 33 | C..inchi.....InChI=1S/C16H22N4O3 |
654a0 | 2f 63 31 2d 33 2d 36 2d 31 33 2d 31 34 28 39 2d 38 2d 31 32 28 31 31 28 32 29 32 31 29 31 36 28 | /c1-3-6-13-14(9-8-12(11(2)21)16( |
654c0 | 31 33 29 32 32 29 32 33 2d 31 30 2d 35 2d 34 2d 37 2d 31 35 2d 31 37 2d 31 39 2d 32 30 2d 31 38 | 13)22)23-10-5-4-7-15-17-19-20-18 |
654e0 | 2d 31 35 2f 68 38 2d 39 2c 32 32 48 2c 33 2d 37 2c 31 30 48 32 2c 31 2d 32 48 33 2c 28 48 2c 31 | -15/h8-9,22H,3-7,10H2,1-2H3,(H,1 |
65500 | 37 2c 31 38 2c 31 39 2c 32 30 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 f2 ce 65 46 50 01 00 00 | 7,18,19,20)..updated_at...eFP... |
65520 | 09 63 72 65 61 74 65 64 5f 61 74 00 f0 ce 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at...eFP....default_fin |
65540 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 9a 03 00 00 07 5f 69 64 00 56 16 1e 28 | gerprint_size..........._id.V..( |
65560 | 2b 72 ed 2b 40 00 02 f0 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.+@....warnings.......fingerpr |
65580 | 69 6e 74 73 00 77 02 00 00 04 4d 50 32 44 00 6c 02 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 | ints.w....MP2D.l....0.....15;1-1 |
655a0 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b | -3;2-2-3;..1.....3;1-2-3;1-1-15; |
655c0 | 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 2-2-3;..2.....3;1-2-3;2-2-3;2-1- |
655e0 | 31 35 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 34 00 0f 00 00 | 15;..3.....3;1-2-3;2-3-3;..4.... |
65600 | 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | .3;1-3-3;2-4-3;..5.....3;1-2-3;2 |
65620 | 2d 33 2d 33 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | -3-3;..6.....3;1-2-3;2-2-3;2-1-1 |
65640 | 35 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 38 00 0f 00 00 00 | 5;..7.....3;1-3-3;2-4-3;..8..... |
65660 | 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 3;1-2-3;2-3-3;..9.....3;1-2-3;2- |
65680 | 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 | 1-1;2-2-3;..10.....3;1-1-1;1-2-3 |
656a0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-3;2-1-8;..11.....3;1-2-3;2- |
656c0 | 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 | 1-1;2-2-3;..12.....3;1-2-3;2-3-3 |
656e0 | 3b 00 02 31 33 00 1b 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d | ;..13.....1;1-1-3;1-1-8;2-1-1;2- |
65700 | 32 2d 33 3b 00 02 31 34 00 1b 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 | 2-3;..14.....8;1-2-1;2-2-1;2-1-2 |
65720 | 3b 32 2d 31 2d 33 3b 00 02 31 35 00 22 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d | ;2-1-3;..15."...1;1-2-1;1-1-2;1- |
65740 | 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 32 3b 00 02 31 36 00 1c 00 00 00 32 3b 31 2d 31 2d | 1-8;2-1-1;2-2-32;..16.....2;1-1- |
65760 | 31 3b 31 2d 32 2d 33 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 37 00 17 00 00 00 33 32 | 1;1-2-32;2-2-1;2-1-8;..17.....32 |
65780 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 31 38 00 17 00 00 00 33 32 3b | ;1-1-2;2-1-1;2-1-32;..18.....32; |
657a0 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 31 39 00 1b 00 00 00 31 3b 31 2d | 1-1-2;2-1-1;2-1-32;..19.....1;1- |
657c0 | 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 30 00 1b 00 00 00 31 | 1-1;2-1-1;2-1-2;2-1-8;..20.....1 |
657e0 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 | ;1-1-1;2-1-1;2-1-2;2-1-8;....smi |
65800 | 6c 65 73 00 26 00 00 00 43 6c 63 31 63 63 63 28 63 63 31 29 63 31 63 63 63 28 63 63 31 29 43 4f | les.&...Clc1ccc(cc1)c1ccc(cc1)CO |
65820 | 43 28 43 28 3d 4f 29 4f 29 28 43 29 43 00 02 69 6e 63 68 69 00 6d 00 00 00 49 6e 43 68 49 3d 31 | C(C(=O)O)(C)C..inchi.m...InChI=1 |
65840 | 53 2f 43 31 37 48 31 37 43 6c 4f 33 2f 63 31 2d 31 37 28 32 2c 31 36 28 31 39 29 32 30 29 32 31 | S/C17H17ClO3/c1-17(2,16(19)20)21 |
65860 | 2d 31 31 2d 31 32 2d 33 2d 35 2d 31 33 28 36 2d 34 2d 31 32 29 31 34 2d 37 2d 39 2d 31 35 28 31 | -11-12-3-5-13(6-4-12)14-7-9-15(1 |
65880 | 38 29 31 30 2d 38 2d 31 34 2f 68 33 2d 31 30 48 2c 31 31 48 32 2c 31 2d 32 48 33 2c 28 48 2c 31 | 8)10-8-14/h3-10H,11H2,1-2H3,(H,1 |
658a0 | 39 2c 32 30 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 fd ce 65 46 50 01 00 00 09 63 72 65 61 74 | 9,20)..updated_at...eFP....creat |
658c0 | 65 64 5f 61 74 00 fb ce 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at...eFP....default_fingerpri |
658e0 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 18 04 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 | nt_size..........._id.V..(+r.+@. |
65900 | 02 f1 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ef | ...warnings.......fingerprints.. |
65920 | 02 00 00 04 4d 50 32 44 00 e4 02 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d | ....MP2D......0.....1;1-1-1;2-1- |
65940 | 31 3b 32 2d 31 2d 38 3b 00 02 31 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d | 1;2-1-8;..1.....1;1-2-1;1-1-8;2- |
65960 | 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b | 1-1;2-1-2;..2.....1;1-2-1;2-2-1; |
65980 | 32 2d 31 2d 38 3b 00 02 33 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d | 2-1-8;..3.....1;1-2-1;2-1-1;2-1- |
659a0 | 32 3b 00 02 34 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d | 2;..4.....1;1-1-1;1-1-2;2-2-1;2- |
659c0 | 31 2d 39 3b 00 02 35 00 15 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b | 1-9;..5.....2;1-2-1;1-1-9;2-2-1; |
659e0 | 00 02 36 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 02 37 00 1b 00 00 00 31 3b | ..6.....9;1-1-2;2-2-1;..7.....1; |
65a00 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 38 00 0f 00 00 00 | 1-1-1;1-1-2;2-2-1;2-1-9;..8..... |
65a20 | 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 39 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | 1;1-2-1;2-2-2;..9.....1;1-1-1;1- |
65a40 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 30 00 1b 00 00 00 32 3b 31 2d 31 2d 31 | 1-2;2-1-1;2-1-2;..10.....2;1-1-1 |
65a60 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 31 00 1b 00 00 00 32 3b 31 2d | ;1-1-2;2-1-1;2-1-3;..11.....2;1- |
65a80 | 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 32 00 21 00 00 00 33 | 1-2;1-1-3;2-1-1;2-2-3;..12.!...3 |
65aa0 | 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 | ;1-1-2;1-2-3;2-2-2;2-2-3;2-1-8;. |
65ac0 | 02 31 33 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d | .13.'...3;1-1-2;1-2-3;2-1-2;2-2- |
65ae0 | 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 34 00 21 00 00 00 32 3b 31 2d 31 2d 33 3b 31 | 3;2-1-8;2-1-9;..14.!...2;1-1-3;1 |
65b00 | 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 35 00 15 00 00 00 | -1-8;1-1-9;2-1-1;2-2-3;..15..... |
65b20 | 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 36 00 21 00 00 00 38 3b 31 | 9;1-1-2;2-1-3;2-1-8;..16.!...8;1 |
65b40 | 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 | -1-1;1-1-2;2-2-1;2-1-3;2-1-9;..1 |
65b60 | 37 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b | 7.....3;1-2-3;2-1-2;2-2-3;2-1-8; |
65b80 | 00 02 31 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 00 02 31 | ..18.....3;1-2-3;1-1-8;2-2-3;..1 |
65ba0 | 39 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 30 00 15 00 00 00 33 3b 31 | 9.....8;1-1-3;2-2-3;..20.....3;1 |
65bc0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b 00 02 32 31 00 1b 00 00 00 33 3b 31 2d 32 2d | -2-3;2-2-3;2-2-8;..21.....3;1-2- |
65be0 | 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 32 00 0f 00 00 00 38 3b 31 | 3;1-1-8;2-1-2;2-2-3;..22.....8;1 |
65c00 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 27 00 00 00 43 43 31 43 43 43 | -1-3;2-2-3;....smiles.'...CC1CCC |
65c20 | 43 28 3d 4f 29 43 43 43 43 3d 43 63 32 63 28 43 28 3d 4f 29 4f 31 29 63 63 28 4f 29 63 63 32 4f | C(=O)CCCC=Cc2c(C(=O)O1)cc(O)cc2O |
65c40 | 00 02 69 6e 63 68 69 00 72 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 38 48 32 32 4f 35 2f 63 31 | ..inchi.r...InChI=1S/C18H22O5/c1 |
65c60 | 2d 31 32 2d 36 2d 35 2d 38 2d 31 33 28 31 39 29 37 2d 33 2d 32 2d 34 2d 39 2d 31 35 2d 31 36 28 | -12-6-5-8-13(19)7-3-2-4-9-15-16( |
65c80 | 31 38 28 32 32 29 32 33 2d 31 32 29 31 30 2d 31 34 28 32 30 29 31 31 2d 31 37 28 31 35 29 32 31 | 18(22)23-12)10-14(20)11-17(15)21 |
65ca0 | 2f 68 34 2c 39 2d 31 32 2c 32 30 2d 32 31 48 2c 32 2d 33 2c 35 2d 38 48 32 2c 31 48 33 00 09 75 | /h4,9-12,20-21H,2-3,5-8H2,1H3..u |
65cc0 | 70 64 61 74 65 64 5f 61 74 00 2d cf 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 2c cf | pdated_at.-.eFP....created_at.,. |
65ce0 | 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | eFP....default_fingerprint_size. |
65d00 | 00 00 00 00 00 f0 03 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 f2 04 77 61 72 6e 69 | .........._id.V..(+r.+@....warni |
65d20 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c0 02 00 00 04 4d 50 32 44 | ngs.......fingerprints......MP2D |
65d40 | 00 b5 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 | ......0.....1;1-1-8;2-1-3;..1... |
65d60 | 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 21 00 00 00 33 3b | ..8;1-1-1;1-1-3;2-2-3;..2.!...3; |
65d80 | 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 | 1-2-3;1-1-8;2-1-1;2-2-3;2-1-8;.. |
65da0 | 33 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b | 3.....3;1-2-3;2-1-1;2-2-3;2-1-8; |
65dc0 | 00 02 34 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | ..4.....3;1-1-1;1-2-3;2-2-3;2-1- |
65de0 | 36 3b 00 02 35 00 1b 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d | 6;..5.....1;1-1-3;1-1-6;2-1-2;2- |
65e00 | 32 2d 33 3b 00 02 36 00 21 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b | 2-3;..6.!...6;1-1-1;1-1-2;2-1-1; |
65e20 | 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 37 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 2-1-3;2-1-9;..7.....2;1-1-1;1-1- |
65e40 | 36 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 00 02 38 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | 6;1-1-9;2-2-1;..8.!...1;1-1-1;1- |
65e60 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 39 00 15 00 00 00 31 3b | 1-2;2-1-1;2-1-6;2-1-9;..9.....1; |
65e80 | 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 30 00 15 00 00 00 31 3b 31 2d 32 | 1-2-1;2-1-1;2-1-2;..10.....1;1-2 |
65ea0 | 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 31 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b | -1;2-1-1;2-1-2;..11.....1;1-1-1; |
65ec0 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 32 00 15 00 00 00 32 3b 31 2d 31 | 1-1-2;2-1-1;2-1-2;..12.....2;1-1 |
65ee0 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 02 31 33 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b | -1;1-1-2;2-2-1;..13.....2;1-1-1; |
65f00 | 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 00 02 31 34 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 | 1-1-2;2-3-1;..14.....1;1-2-1;1-1 |
65f20 | 2d 32 3b 32 2d 31 2d 32 3b 00 02 31 35 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b | -2;2-1-2;..15.....1;1-1-1;2-1-1; |
65f40 | 32 2d 31 2d 32 3b 00 02 31 36 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 | 2-1-2;..16.....1;1-1-1;2-1-1;2-1 |
65f60 | 2d 32 3b 00 02 31 37 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b | -2;..17.....9;1-1-2;2-1-1;2-1-6; |
65f80 | 00 02 31 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 | ..18.....3;1-2-3;2-1-1;2-2-3;..1 |
65fa0 | 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 30 00 1b | 9.....3;1-2-3;2-2-3;2-1-8;..20.. |
65fc0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 | ...3;1-2-3;1-1-8;2-2-3;2-1-8;..2 |
65fe0 | 31 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 21 | 1.....8;1-1-3;2-2-3;....smiles.! |
66000 | 00 00 00 43 4f 63 31 63 63 28 43 4e 3d 43 28 43 43 43 43 43 3d 43 43 28 43 29 43 29 4f 29 63 63 | ...COc1cc(CN=C(CCCCC=CC(C)C)O)cc |
66020 | 63 31 4f 00 02 69 6e 63 68 69 00 7f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 38 48 32 37 4e 4f | c1O..inchi.....InChI=1S/C18H27NO |
66040 | 33 2f 63 31 2d 31 34 28 32 29 38 2d 36 2d 34 2d 35 2d 37 2d 39 2d 31 38 28 32 31 29 31 39 2d 31 | 3/c1-14(2)8-6-4-5-7-9-18(21)19-1 |
66060 | 33 2d 31 35 2d 31 30 2d 31 31 2d 31 36 28 32 30 29 31 37 28 31 32 2d 31 35 29 32 32 2d 33 2f 68 | 3-15-10-11-16(20)17(12-15)22-3/h |
66080 | 36 2c 38 2c 31 30 2d 31 32 2c 31 34 2c 32 30 48 2c 34 2d 35 2c 37 2c 39 2c 31 33 48 32 2c 31 2d | 6,8,10-12,14,20H,4-5,7,9,13H2,1- |
660a0 | 33 48 33 2c 28 48 2c 31 39 2c 32 31 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 39 cf 65 46 50 01 | 3H3,(H,19,21)..updated_at.9.eFP. |
660c0 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 37 cf 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at.7.eFP....default_f |
660e0 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 d0 03 00 00 07 5f 69 64 00 56 16 | ingerprint_size..........._id.V. |
66100 | 1e 28 2b 72 ed 2b 40 00 02 f3 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | .(+r.+@....warnings.......finger |
66120 | 70 72 69 6e 74 73 00 a9 02 00 00 04 4d 50 32 44 00 9e 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d | prints......MP2D......0.....1;1- |
66140 | 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b | 1-1;2-1-1;..1.....1;1-2-1;2-1-1; |
66160 | 00 02 32 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 00 0f 00 00 00 31 3b | ..2.....1;1-2-1;2-2-1;..3.....1; |
66180 | 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 34 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d | 1-2-1;2-2-1;..4.....1;1-2-1;2-2- |
661a0 | 31 3b 00 02 35 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 36 00 16 00 00 00 | 1;..5.....1;1-2-1;2-2-1;..6..... |
661c0 | 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 39 3b 00 02 37 00 1c 00 00 00 31 3b 31 | 1;1-2-1;2-1-1;2-1-29;..7.....1;1 |
661e0 | 2d 31 2d 31 3b 31 2d 31 2d 32 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 38 00 16 00 00 00 | -1-1;1-1-29;2-2-1;2-1-9;..8..... |
66200 | 32 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b 00 02 39 00 10 00 00 00 39 3b 31 | 29;1-2-1;1-1-9;2-3-1;..9.....9;1 |
66220 | 2d 31 2d 32 39 3b 32 2d 32 2d 31 3b 00 02 31 30 00 22 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 | -1-29;2-2-1;..10."...1;1-2-1;1-1 |
66240 | 2d 32 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 31 00 22 00 00 00 31 | -29;2-1-1;2-1-3;2-1-9;..11."...1 |
66260 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 39 3b | ;1-1-1;1-1-3;2-1-1;2-2-3;2-1-29; |
66280 | 00 02 31 32 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 | ..12.....3;1-1-1;1-2-3;2-1-1;2-2 |
662a0 | 2d 33 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | -3;..13.....3;1-2-3;2-1-1;2-2-3; |
662c0 | 00 02 31 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 | ..14.....3;1-2-3;2-2-3;2-1-8;..1 |
662e0 | 35 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | 5.!...3;1-2-3;1-1-8;2-1-1;2-2-3; |
66300 | 32 2d 31 2d 38 3b 00 02 31 36 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 | 2-1-8;..16.!...3;1-2-3;1-1-8;2-1 |
66320 | 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 37 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b | -1;2-2-3;2-1-8;..17.....3;1-2-3; |
66340 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 38 00 1b 00 00 00 38 3b 31 2d 31 | 2-1-1;2-2-3;2-1-8;..18.....8;1-1 |
66360 | 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 39 00 0f 00 00 00 31 3b | -1;1-1-3;2-2-3;2-1-8;..19.....1; |
66380 | 31 2d 32 2d 38 3b 32 2d 32 2d 33 3b 00 02 32 30 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 | 1-2-8;2-2-3;..20.....8;1-1-1;1-1 |
663a0 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b | -3;2-2-3;2-1-8;..21.....1;1-1-1; |
663c0 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 22 00 00 00 43 43 43 43 | 2-1-1;2-1-29;....smiles."...CCCC |
663e0 | 43 43 43 43 53 28 3d 4f 29 43 28 43 63 31 63 63 63 32 63 28 63 31 29 4f 43 4f 32 29 43 00 02 69 | CCCCS(=O)C(Cc1ccc2c(c1)OCO2)C..i |
66400 | 6e 63 68 69 00 75 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 38 48 32 38 4f 33 53 2f 63 31 2d 33 | nchi.u...InChI=1S/C18H28O3S/c1-3 |
66420 | 2d 34 2d 35 2d 36 2d 37 2d 38 2d 31 31 2d 32 32 28 31 39 29 31 35 28 32 29 31 32 2d 31 36 2d 39 | -4-5-6-7-8-11-22(19)15(2)12-16-9 |
66440 | 2d 31 30 2d 31 37 2d 31 38 28 31 33 2d 31 36 29 32 31 2d 31 34 2d 32 30 2d 31 37 2f 68 39 2d 31 | -10-17-18(13-16)21-14-20-17/h9-1 |
66460 | 30 2c 31 33 2c 31 35 48 2c 33 2d 38 2c 31 31 2d 31 32 2c 31 34 48 32 2c 31 2d 32 48 33 00 09 75 | 0,13,15H,3-8,11-12,14H2,1-2H3..u |
66480 | 70 64 61 74 65 64 5f 61 74 00 40 cf 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 3e cf | pdated_at.@.eFP....created_at.>. |
664a0 | 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | eFP....default_fingerprint_size. |
664c0 | 00 00 00 00 00 04 03 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 f4 04 77 61 72 6e 69 | .........._id.V..(+r.+@....warni |
664e0 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 f6 01 00 00 04 4d 50 32 44 | ngs.......fingerprints......MP2D |
66500 | 00 eb 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 15 00 | ......0.....1;1-1-3;2-2-3;..1... |
66520 | 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 32 00 15 00 00 00 33 3b | ..3;1-1-1;1-2-3;2-4-3;..2.....3; |
66540 | 31 2d 33 2d 33 3b 32 2d 31 2d 31 3b 32 2d 34 2d 33 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d 32 2d | 1-3-3;2-1-1;2-4-3;..3.....3;1-2- |
66560 | 33 3b 32 2d 33 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 | 3;2-3-3;..4.....3;1-2-3;2-3-3;.. |
66580 | 35 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d | 5.....3;1-3-3;2-4-3;..6.....3;1- |
665a0 | 33 2d 33 3b 32 2d 35 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 31 2d 31 3b | 3-3;2-5-3;..7.....3;1-3-3;2-1-1; |
665c0 | 32 2d 35 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 34 2d | 2-5-3;..8.....3;1-1-1;1-2-3;2-4- |
665e0 | 33 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 31 2d 31 3b 32 2d 34 2d 33 3b 00 02 | 3;..9.....3;1-3-3;2-1-1;2-4-3;.. |
66600 | 31 30 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 31 2d 31 3b 32 2d 34 2d 33 3b 00 02 31 31 00 | 10.....3;1-3-3;2-1-1;2-4-3;..11. |
66620 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 | ....3;1-2-3;2-3-3;..12.....3;1-2 |
66640 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | -3;2-2-3;..13.....3;1-2-3;2-2-3; |
66660 | 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 35 00 0f 00 00 00 | ..14.....3;1-2-3;2-3-3;..15..... |
66680 | 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 1;1-1-3;2-2-3;..16.....3;1-2-3;2 |
666a0 | 2d 33 2d 33 3b 00 02 31 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 38 | -3-3;..17.....3;1-2-3;2-2-3;..18 |
666c0 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 39 00 0f 00 00 00 33 3b 31 2d | .....3;1-2-3;2-2-3;..19.....3;1- |
666e0 | 32 2d 33 3b 32 2d 33 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 21 00 00 00 43 63 31 63 32 63 63 | 2-3;2-3-3;....smiles.!...Cc1c2cc |
66700 | 63 33 63 28 63 32 63 28 63 32 63 31 63 63 63 63 32 29 43 29 63 63 63 63 33 00 02 69 6e 63 68 69 | c3c(c2c(c2c1cccc2)C)cccc3..inchi |
66720 | 00 5d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 30 48 31 36 2f 63 31 2d 31 33 2d 31 36 2d 38 2d | .]...InChI=1S/C20H16/c1-13-16-8- |
66740 | 35 2d 36 2d 39 2d 31 37 28 31 36 29 31 34 28 32 29 32 30 2d 31 38 28 31 33 29 31 32 2d 31 31 2d | 5-6-9-17(16)14(2)20-18(13)12-11- |
66760 | 31 35 2d 37 2d 33 2d 34 2d 31 30 2d 31 39 28 31 35 29 32 30 2f 68 33 2d 31 32 48 2c 31 2d 32 48 | 15-7-3-4-10-19(15)20/h3-12H,1-2H |
66780 | 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 57 cf 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | 3..updated_at.W.eFP....created_a |
667a0 | 74 00 56 cf 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t.V.eFP....default_fingerprint_s |
667c0 | 69 7a 65 00 00 00 00 00 00 d6 03 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 f5 04 77 | ize..........._id.V..(+r.+@....w |
667e0 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ae 02 00 00 04 | arnings.......fingerprints...... |
66800 | 4d 50 32 44 00 a3 02 00 00 02 30 00 0f 00 00 00 34 3b 31 2d 31 2d 34 3b 32 2d 31 2d 31 3b 00 02 | MP2D......0.....4;1-1-4;2-1-1;.. |
66820 | 31 00 1b 00 00 00 34 3b 31 2d 31 2d 31 3b 31 2d 31 2d 34 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b | 1.....4;1-1-1;1-1-4;2-2-1;2-1-8; |
66840 | 00 02 32 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 34 3b 31 2d 31 2d 38 3b 32 2d 34 2d | ..2.!...1;1-2-1;1-1-4;1-1-8;2-4- |
66860 | 31 3b 32 2d 31 2d 34 3b 00 02 33 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d | 1;2-1-4;..3.....8;1-1-1;2-2-1;2- |
66880 | 31 2d 34 3b 00 02 34 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 34 3b | 1-4;..4.....1;1-2-1;2-2-1;2-1-4; |
668a0 | 32 2d 31 2d 38 3b 00 02 35 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 36 00 | 2-1-8;..5.....1;1-2-1;2-3-1;..6. |
668c0 | 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 36 2d 31 3b 00 02 37 00 1b 00 00 00 31 3b 31 2d 34 2d | ....1;1-3-1;2-6-1;..7.....1;1-4- |
668e0 | 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 34 3b 32 2d 31 2d 38 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d | 1;2-4-1;2-1-4;2-1-8;..8.....1;1- |
66900 | 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 39 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b | 1-1;2-3-1;..9.....1;1-2-1;2-4-1; |
66920 | 00 02 31 30 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 | ..10.....1;1-2-1;2-2-1;2-1-2;..1 |
66940 | 31 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b | 1.....1;1-2-1;1-1-2;2-4-1;2-1-2; |
66960 | 00 02 31 32 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 | ..12.....1;1-3-1;2-4-1;2-1-2;..1 |
66980 | 33 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 34 00 1b | 3.....1;1-2-1;2-2-1;2-1-2;..14.. |
669a0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 | ...1;1-1-1;1-1-2;2-2-1;2-1-2;..1 |
669c0 | 35 00 1b 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b | 5.....2;1-2-1;1-1-2;2-3-1;2-1-2; |
669e0 | 00 02 31 36 00 15 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 35 2d 31 3b 00 02 31 | ..16.....2;1-2-1;1-1-2;2-5-1;..1 |
66a00 | 37 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b | 7.....1;1-1-1;1-1-2;2-1-1;2-2-2; |
66a20 | 00 02 31 38 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 | ..18.!...1;1-1-1;1-1-2;2-1-1;2-1 |
66a40 | 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 39 00 1b 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 39 3b | -2;2-1-9;..19.....2;1-2-1;1-1-9; |
66a60 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 30 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 | 2-1-1;2-1-2;..20.....9;1-1-2;2-2 |
66a80 | 2d 31 3b 00 02 32 31 00 1b 00 00 00 31 3b 31 2d 32 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b | -1;..21.....1;1-2-2;2-2-1;2-1-2; |
66aa0 | 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 28 00 00 00 43 23 43 43 31 28 4f 29 43 43 43 | 2-1-9;....smiles.(...C#CC1(O)CCC |
66ac0 | 32 43 31 28 43 29 43 43 43 31 43 32 43 43 43 32 3d 43 31 43 43 43 28 3d 4f 29 43 32 00 02 69 6e | 2C1(C)CCC1C2CCC2=C1CCC(=O)C2..in |
66ae0 | 63 68 69 00 70 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 30 48 32 36 4f 32 2f 63 31 2d 33 2d 32 | chi.p...InChI=1S/C20H26O2/c1-3-2 |
66b00 | 30 28 32 32 29 31 31 2d 39 2d 31 38 2d 31 37 2d 36 2d 34 2d 31 33 2d 31 32 2d 31 34 28 32 31 29 | 0(22)11-9-18-17-6-4-13-12-14(21) |
66b20 | 35 2d 37 2d 31 35 28 31 33 29 31 36 28 31 37 29 38 2d 31 30 2d 31 39 28 31 38 2c 32 30 29 32 2f | 5-7-15(13)16(17)8-10-19(18,20)2/ |
66b40 | 68 31 2c 31 36 2d 31 38 2c 32 32 48 2c 34 2d 31 32 48 32 2c 32 48 33 00 09 75 70 64 61 74 65 64 | h1,16-18,22H,4-12H2,2H3..updated |
66b60 | 5f 61 74 00 63 cf 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 62 cf 65 46 50 01 00 00 | _at.c.eFP....created_at.b.eFP... |
66b80 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 94 | .default_fingerprint_size....... |
66ba0 | 04 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 f6 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..(+r.+@....warnings... |
66bc0 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 40 03 00 00 04 4d 50 32 44 00 35 03 00 00 02 | ....fingerprints.@....MP2D.5.... |
66be0 | 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 00 1b 00 00 00 31 3b 31 2d | 0.....8;1-1-1;2-1-2;..1.....1;1- |
66c00 | 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 1b 00 00 00 32 3b | 1-2;1-1-8;2-1-1;2-1-2;..2.....2; |
66c20 | 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 00 15 00 00 00 | 1-2-1;1-1-2;2-2-1;2-1-8;..3..... |
66c40 | 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 00 02 34 00 21 00 00 00 31 3b 31 2d | 2;1-1-1;1-1-2;2-4-1;..4.!...1;1- |
66c60 | 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 35 00 | 2-1;1-1-2;2-4-1;2-1-2;2-1-8;..5. |
66c80 | 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 36 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 | ....1;1-3-1;2-6-1;2-1-2;2-1-8;.. |
66ca0 | 36 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 38 3b 32 2d 36 2d 31 3b 32 2d 31 2d 38 3b | 6.....1;1-3-1;1-1-8;2-6-1;2-1-8; |
66cc0 | 00 02 37 00 15 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 38 3b 00 02 38 00 | ..7.....1;1-4-1;2-4-1;2-1-8;..8. |
66ce0 | 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 39 00 0f 00 00 00 31 3b 31 2d 31 2d | ....1;1-1-1;2-3-1;..9.....1;1-1- |
66d00 | 31 3b 32 2d 33 2d 31 3b 00 02 31 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 | 1;2-3-1;..10.....8;1-1-1;2-3-1;. |
66d20 | 02 31 31 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 34 2d 31 3b 32 2d 31 2d | .11.....1;1-2-1;1-1-8;2-4-1;2-1- |
66d40 | 38 3b 00 02 31 32 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 33 2d 31 3b 32 2d 32 2d 38 3b 00 | 8;..12.....1;1-3-1;2-3-1;2-2-8;. |
66d60 | 02 31 33 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 38 3b 32 2d 34 2d 31 3b 32 2d 32 2d | .13.....1;1-3-1;1-1-8;2-4-1;2-2- |
66d80 | 32 3b 00 02 31 34 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 | 2;..14.!...1;1-2-1;1-1-2;2-3-1;2 |
66da0 | 2d 32 2d 32 3b 32 2d 32 2d 38 3b 00 02 31 35 00 27 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d | -2-2;2-2-8;..15.'...1;1-2-1;1-1- |
66dc0 | 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 33 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 36 00 21 | 2;1-1-8;2-1-1;2-3-2;2-1-9;..16.! |
66de0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 | ...1;1-1-1;1-1-2;2-2-1;2-2-2;2-1 |
66e00 | 2d 38 3b 00 02 31 37 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b | -8;..17.....8;1-1-1;2-2-1;2-1-2; |
66e20 | 00 02 31 38 00 27 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 33 | ..18.'...2;1-1-1;1-1-2;1-1-9;2-3 |
66e40 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 39 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b | -1;2-1-2;2-1-8;..19.....9;1-1-2; |
66e60 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 30 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 | 2-1-1;2-1-2;..20.....2;1-1-1;1-2 |
66e80 | 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 32 31 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b | -2;2-2-1;2-1-9;..21.....2;1-1-1; |
66ea0 | 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 32 00 0f 00 00 00 31 3b 31 2d 31 | 1-1-2;2-3-1;2-1-2;..22.....1;1-1 |
66ec0 | 2d 32 3b 32 2d 32 2d 32 3b 00 02 32 33 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b | -2;2-2-2;..23.....8;1-1-1;2-3-1; |
66ee0 | 00 02 32 34 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 35 00 0f 00 00 00 | ..24.....1;1-1-1;2-2-1;..25..... |
66f00 | 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 3a 00 00 00 4f 43 43 | 8;1-1-1;2-2-1;....smiles.:...OCC |
66f20 | 31 3d 43 43 32 43 33 43 28 43 33 28 43 29 43 29 28 4f 29 43 28 43 28 43 32 28 43 32 43 28 43 31 | 1=CC2C3C(C3(C)C)(O)C(C(C2(C2C(C1 |
66f40 | 29 28 4f 29 43 28 3d 4f 29 43 28 3d 43 32 29 43 29 4f 29 43 29 4f 00 02 69 6e 63 68 69 00 8a 00 | )(O)C(=O)C(=C2)C)O)C)O..inchi... |
66f60 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 30 48 32 38 4f 36 2f 63 31 2d 39 2d 35 2d 31 33 2d 31 38 | ..InChI=1S/C20H28O6/c1-9-5-13-18 |
66f80 | 28 32 34 2c 31 35 28 39 29 32 32 29 37 2d 31 31 28 38 2d 32 31 29 36 2d 31 32 2d 31 34 2d 31 37 | (24,15(9)22)7-11(8-21)6-12-14-17 |
66fa0 | 28 33 2c 34 29 32 30 28 31 34 2c 32 36 29 31 36 28 32 33 29 31 30 28 32 29 31 39 28 31 32 2c 31 | (3,4)20(14,26)16(23)10(2)19(12,1 |
66fc0 | 33 29 32 35 2f 68 35 2d 36 2c 31 30 2c 31 32 2d 31 34 2c 31 36 2c 32 31 2c 32 33 2d 32 36 48 2c | 3)25/h5-6,10,12-14,16,21,23-26H, |
66fe0 | 37 2d 38 48 32 2c 31 2d 34 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 6c cf 65 46 50 01 00 00 | 7-8H2,1-4H3..updated_at.l.eFP... |
67000 | 09 63 72 65 61 74 65 64 5f 61 74 00 6a cf 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.j.eFP....default_fin |
67020 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 56 05 00 00 07 5f 69 64 00 56 16 1e 28 | gerprint_size......V...._id.V..( |
67040 | 2b 72 ed 2b 40 00 02 f7 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.+@....warnings.......fingerpr |
67060 | 69 6e 74 73 00 e6 03 00 00 04 4d 50 32 44 00 db 03 00 00 02 30 00 0f 00 00 00 39 3b 31 2d 31 2d | ints......MP2D......0.....9;1-1- |
67080 | 32 3b 32 2d 31 2d 31 3b 00 02 31 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 32 2d | 2;2-1-1;..1.....2;1-1-1;1-1-9;2- |
670a0 | 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 32 00 27 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | 1-1;2-1-6;..2.'...1;1-1-1;1-1-2; |
670c0 | 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 33 00 21 00 00 00 | 1-1-6;2-1-1;2-1-2;2-1-9;..3.!... |
670e0 | 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b | 6;1-1-1;1-1-2;2-2-1;2-1-2;2-1-9; |
67100 | 00 02 34 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 32 2d | ..4.!...2;1-1-1;1-1-6;1-1-9;2-2- |
67120 | 31 3b 32 2d 31 2d 36 3b 00 02 35 00 2d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d | 1;2-1-6;..5.-...1;1-1-1;1-1-2;1- |
67140 | 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 36 00 | 1-6;2-1-1;2-1-2;2-1-6;2-1-9;..6. |
67160 | 21 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d | !...6;1-1-1;1-1-2;2-2-1;2-1-2;2- |
67180 | 31 2d 39 3b 00 02 37 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b | 1-9;..7.!...2;1-1-1;1-1-6;1-1-9; |
671a0 | 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 38 00 2d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 2-2-1;2-1-6;..8.-...1;1-1-1;1-1- |
671c0 | 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b | 2;1-1-6;2-1-1;2-1-2;2-1-6;2-1-9; |
671e0 | 00 02 39 00 21 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d | ..9.!...6;1-1-1;1-1-2;2-2-1;2-1- |
67200 | 32 3b 32 2d 31 2d 39 3b 00 02 31 30 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 | 2;2-1-9;..10.....2;1-1-1;1-1-6;1 |
67220 | 2d 31 2d 39 3b 32 2d 31 2d 31 3b 00 02 31 31 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d | -1-9;2-1-1;..11.....9;1-1-2;2-1- |
67240 | 31 3b 32 2d 31 2d 36 3b 00 02 31 32 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 | 1;2-1-6;..12.....1;1-1-2;2-1-6;2 |
67260 | 2d 31 2d 39 3b 00 02 31 33 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d | -1-9;..13.....1;1-2-1;2-2-1;2-1- |
67280 | 32 3b 32 2d 31 2d 36 3b 00 02 31 34 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b 00 | 2;2-1-6;..14.....1;1-3-1;2-1-1;. |
672a0 | 02 31 35 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 36 00 0f 00 00 00 31 | .15.....1;1-1-1;2-2-1;..16.....1 |
672c0 | 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 37 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d | ;1-1-1;2-2-1;..17.....9;1-1-2;2- |
672e0 | 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 38 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 | 1-1;2-1-6;..18.....1;1-2-1;2-2-1 |
67300 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 31 39 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d | ;2-1-2;2-1-6;..19.....1;1-3-1;2- |
67320 | 31 2d 31 3b 00 02 32 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 31 00 | 1-1;..20.....1;1-1-1;2-2-1;..21. |
67340 | 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 32 00 15 00 00 00 39 3b 31 2d 31 | ....1;1-1-1;2-2-1;..22.....9;1-1 |
67360 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 32 33 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b | -2;2-1-1;2-1-6;..23.....1;1-2-1; |
67380 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 32 34 00 16 00 00 00 31 3b 31 2d 32 | 2-1-1;2-1-2;2-1-6;..24.....1;1-2 |
673a0 | 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 32 35 00 1d 00 00 00 31 3b 31 2d 31 2d 31 | -1;2-1-1;2-1-19;..25.....1;1-1-1 |
673c0 | 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 33 3b 00 02 32 36 00 1e 00 00 00 31 39 | ;1-1-19;2-1-1;2-1-33;..26.....19 |
673e0 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 39 3b 00 02 32 37 00 | ;1-1-1;1-1-33;2-1-1;2-2-19;..27. |
67400 | 11 00 00 00 33 33 3b 31 2d 33 2d 31 39 3b 32 2d 31 2d 31 3b 00 02 32 38 00 12 00 00 00 31 39 3b | ....33;1-3-19;2-1-1;..28.....19; |
67420 | 31 2d 31 2d 33 33 3b 32 2d 32 2d 31 39 3b 00 02 32 39 00 12 00 00 00 31 39 3b 31 2d 31 2d 33 33 | 1-1-33;2-2-19;..29.....19;1-1-33 |
67440 | 3b 32 2d 32 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 36 00 00 00 4f 3d 43 43 28 4e 3d 43 28 | ;2-2-19;....smiles.6...O=CC(N=C( |
67460 | 43 28 4e 3d 43 28 43 28 4e 3d 43 28 4f 29 43 29 43 43 28 43 29 43 29 4f 29 43 43 28 43 29 43 29 | C(N=C(C(N=C(O)C)CC(C)C)O)CC(C)C) |
67480 | 4f 29 43 43 43 4e 43 28 3d 4e 29 4e 00 02 69 6e 63 68 69 00 aa 00 00 00 49 6e 43 68 49 3d 31 53 | O)CCCNC(=N)N..inchi.....InChI=1S |
674a0 | 2f 43 32 30 48 33 38 4e 36 4f 34 2f 63 31 2d 31 32 28 32 29 39 2d 31 36 28 32 34 2d 31 34 28 35 | /C20H38N6O4/c1-12(2)9-16(24-14(5 |
674c0 | 29 32 38 29 31 39 28 33 30 29 32 36 2d 31 37 28 31 30 2d 31 33 28 33 29 34 29 31 38 28 32 39 29 | )28)19(30)26-17(10-13(3)4)18(29) |
674e0 | 32 35 2d 31 35 28 31 31 2d 32 37 29 37 2d 36 2d 38 2d 32 33 2d 32 30 28 32 31 29 32 32 2f 68 31 | 25-15(11-27)7-6-8-23-20(21)22/h1 |
67500 | 31 2d 31 33 2c 31 35 2d 31 37 48 2c 36 2d 31 30 48 32 2c 31 2d 35 48 33 2c 28 48 2c 32 34 2c 32 | 1-13,15-17H,6-10H2,1-5H3,(H,24,2 |
67520 | 38 29 28 48 2c 32 35 2c 32 39 29 28 48 2c 32 36 2c 33 30 29 28 48 34 2c 32 31 2c 32 32 2c 32 33 | 8)(H,25,29)(H,26,30)(H4,21,22,23 |
67540 | 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 73 cf 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | )..updated_at.s.eFP....created_a |
67560 | 74 00 72 cf 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t.r.eFP....default_fingerprint_s |
67580 | 69 7a 65 00 00 00 00 00 00 0e 04 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 f8 04 77 | ize..........._id.V..(+r.+@....w |
675a0 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ec 02 00 00 04 | arnings.......fingerprints...... |
675c0 | 4d 50 32 44 00 e1 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 | MP2D......0.....1;1-1-1;2-1-1;.. |
675e0 | 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 00 0f 00 00 00 31 3b 31 2d | 1.....1;1-2-1;2-1-1;..2.....1;1- |
67600 | 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b | 2-1;2-2-1;..3.....1;1-2-1;2-3-1; |
67620 | 00 02 34 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 | ..4.....1;1-3-1;2-2-1;2-1-8;..5. |
67640 | 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 | ....1;1-1-1;1-1-8;2-2-1;2-1-2;.. |
67660 | 36 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b | 6.....8;1-1-1;1-1-2;2-2-1;2-1-9; |
67680 | 00 02 37 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d | ..7.....2;1-1-1;1-1-8;1-1-9;2-2- |
676a0 | 31 3b 00 02 38 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 | 1;..8.....9;1-1-2;2-1-1;2-1-8;.. |
676c0 | 39 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b | 9.!...1;1-1-1;1-1-2;2-1-1;2-1-8; |
676e0 | 32 2d 31 2d 39 3b 00 02 31 30 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 | 2-1-9;..10.....1;1-2-1;2-1-1;2-1 |
67700 | 2d 32 3b 00 02 31 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b | -2;..11.....1;1-2-1;2-1-1;2-1-2; |
67720 | 00 02 31 32 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 | ..12.!...1;1-1-1;1-1-2;2-1-1;2-1 |
67740 | 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 33 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b | -8;2-1-9;..13.....2;1-1-1;1-1-8; |
67760 | 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 00 02 31 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 | 1-1-9;2-2-1;..14.....9;1-1-2;2-1 |
67780 | 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 35 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | -1;2-1-8;..15.....8;1-1-1;1-1-2; |
677a0 | 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 31 36 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-2-1;2-1-9;..16.....1;1-1-1;1-1 |
677c0 | 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 37 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b | -8;2-2-1;2-1-2;..17.....1;1-3-1; |
677e0 | 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 38 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 | 2-2-1;2-1-8;..18.....1;1-2-1;2-3 |
67800 | 2d 31 3b 00 02 31 39 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 30 00 0f | -1;..19.....1;1-2-1;2-2-1;..20.. |
67820 | 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 31 00 0f 00 00 00 31 3b 31 2d 31 2d | ...1;1-2-1;2-1-1;..21.....1;1-1- |
67840 | 31 3b 32 2d 31 2d 31 3b 00 02 32 32 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 | 1;2-1-1;..22.....1;1-2-1;2-2-1;. |
67860 | 02 32 33 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 34 00 0f 00 00 00 31 | .23.....1;1-1-1;2-1-1;..24.....1 |
67880 | 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 35 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d | ;1-2-1;2-2-1;..25.....1;1-1-1;2- |
678a0 | 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 25 00 00 00 43 43 43 43 43 28 43 4f 43 28 3d 4f 29 | 1-1;....smiles.%...CCCCC(COC(=O) |
678c0 | 43 43 43 43 43 28 3d 4f 29 4f 43 43 28 43 43 43 43 29 43 43 29 43 43 00 02 69 6e 63 68 69 00 6d | CCCCC(=O)OCC(CCCC)CC)CC..inchi.m |
678e0 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 32 48 34 32 4f 34 2f 63 31 2d 35 2d 39 2d 31 33 2d 31 | ...InChI=1S/C22H42O4/c1-5-9-13-1 |
67900 | 39 28 37 2d 33 29 31 37 2d 32 35 2d 32 31 28 32 33 29 31 35 2d 31 31 2d 31 32 2d 31 36 2d 32 32 | 9(7-3)17-25-21(23)15-11-12-16-22 |
67920 | 28 32 34 29 32 36 2d 31 38 2d 32 30 28 38 2d 34 29 31 34 2d 31 30 2d 36 2d 32 2f 68 31 39 2d 32 | (24)26-18-20(8-4)14-10-6-2/h19-2 |
67940 | 30 48 2c 35 2d 31 38 48 32 2c 31 2d 34 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 7e cf 65 46 | 0H,5-18H2,1-4H3..updated_at.~.eF |
67960 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 7d cf 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at.}.eFP....default |
67980 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 95 04 00 00 07 5f 69 64 00 | _fingerprint_size..........._id. |
679a0 | 56 16 1e 28 2b 72 ed 2b 40 00 02 f9 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..(+r.+@....warnings.......fing |
679c0 | 65 72 70 72 69 6e 74 73 00 39 03 00 00 04 4d 50 32 44 00 2e 03 00 00 02 30 00 15 00 00 00 39 3b | erprints.9....MP2D......0.....9; |
679e0 | 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 31 00 21 00 00 00 32 3b 31 2d 31 2d | 1-1-2;2-1-2;2-1-6;..1.!...2;1-1- |
67a00 | 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 21 00 | 2;1-1-6;1-1-9;2-1-1;2-1-2;..2.!. |
67a20 | 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d | ..6;1-1-1;1-1-2;2-2-1;2-1-2;2-1- |
67a40 | 39 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 33 2d 31 3b 32 2d | 9;..3.....1;1-2-1;1-1-6;2-3-1;2- |
67a60 | 32 2d 32 3b 00 02 34 00 21 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b | 2-2;..4.!...1;1-3-1;1-1-2;2-3-1; |
67a80 | 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 35 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 2-1-2;2-1-6;..5.....2;1-1-1;1-1- |
67aa0 | 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 36 00 1b 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d | 2;2-3-1;2-1-2;..6.....2;1-2-2;2- |
67ac0 | 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 37 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b | 1-1;2-1-6;2-1-9;..7.....1;1-1-1; |
67ae0 | 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 38 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 35 2d | 2-2-1;2-1-2;..8.....1;1-3-1;2-5- |
67b00 | 31 3b 32 2d 31 2d 32 3b 00 02 39 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 | 1;2-1-2;..9.....1;1-2-1;2-3-1;.. |
67b20 | 31 30 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b 00 02 31 31 00 15 00 00 00 31 3b | 10.....1;1-2-1;2-4-1;..11.....1; |
67b40 | 31 2d 34 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 32 00 0f 00 00 00 31 3b 31 2d 33 | 1-4-1;2-4-1;2-1-2;..12.....1;1-3 |
67b60 | 2d 31 3b 32 2d 36 2d 31 3b 00 02 31 33 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 35 2d 31 3b | -1;2-6-1;..13.....1;1-3-1;2-5-1; |
67b80 | 00 02 31 34 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 35 00 15 00 00 00 | ..14.....1;1-2-1;2-3-1;..15..... |
67ba0 | 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 36 00 0f 00 00 00 31 3b 31 | 1;1-2-1;2-2-1;2-1-6;..16.....1;1 |
67bc0 | 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 37 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d | -2-1;2-3-1;..17.....1;1-2-1;2-2- |
67be0 | 31 3b 32 2d 31 2d 32 3b 00 02 31 38 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 | 1;2-1-2;..18.!...1;1-2-1;1-1-2;2 |
67c00 | 2d 34 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 31 39 00 1b 00 00 00 32 3b 31 2d 31 2d | -4-1;2-1-6;2-1-9;..19.....2;1-1- |
67c20 | 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b 00 02 32 30 00 1b 00 00 00 36 3b 31 | 1;1-1-6;1-1-9;2-3-1;..20.....6;1 |
67c40 | 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 2d 31 2d 39 3b 00 02 32 31 00 15 00 00 00 | -1-1;1-1-2;2-4-1;2-1-9;..21..... |
67c60 | 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 00 02 32 32 00 15 00 00 00 31 3b 31 | 1;1-3-1;1-1-6;2-1-2;..22.....1;1 |
67c80 | 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 32 33 00 15 00 00 00 31 3b 31 2d 31 2d | -1-1;2-2-1;2-1-6;..23.....1;1-1- |
67ca0 | 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 32 34 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 | 1;2-2-1;2-1-6;..24.....1;1-1-1;2 |
67cc0 | 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 32 35 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d | -2-1;2-1-6;..25.....9;1-1-2;2-1- |
67ce0 | 31 3b 32 2d 31 2d 36 3b 00 02 32 36 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 | 1;2-1-6;..26.....1;1-1-1;2-3-1;. |
67d00 | 00 00 02 73 6d 69 6c 65 73 00 35 00 00 00 4f 43 31 3d 4e 43 32 43 28 43 3d 43 31 29 28 43 29 43 | ...smiles.5...OC1=NC2C(C=C1)(C)C |
67d20 | 31 43 43 43 33 28 43 28 43 31 43 43 32 29 43 43 43 33 43 28 3d 4e 43 28 43 29 28 43 29 43 29 4f | 1CCC3(C(C1CC2)CCC3C(=NC(C)(C)C)O |
67d40 | 29 43 00 02 69 6e 63 68 69 00 97 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 33 48 33 36 4e 32 4f | )C..inchi.....InChI=1S/C23H36N2O |
67d60 | 32 2f 63 31 2d 32 31 28 32 2c 33 29 32 35 2d 32 30 28 32 37 29 31 37 2d 38 2d 37 2d 31 35 2d 31 | 2/c1-21(2,3)25-20(27)17-8-7-15-1 |
67d80 | 34 2d 36 2d 39 2d 31 38 2d 32 33 28 35 2c 31 33 2d 31 31 2d 31 39 28 32 36 29 32 34 2d 31 38 29 | 4-6-9-18-23(5,13-11-19(26)24-18) |
67da0 | 31 36 28 31 34 29 31 30 2d 31 32 2d 32 32 28 31 35 2c 31 37 29 34 2f 68 31 31 2c 31 33 2d 31 38 | 16(14)10-12-22(15,17)4/h11,13-18 |
67dc0 | 48 2c 36 2d 31 30 2c 31 32 48 32 2c 31 2d 35 48 33 2c 28 48 2c 32 34 2c 32 36 29 28 48 2c 32 35 | H,6-10,12H2,1-5H3,(H,24,26)(H,25 |
67de0 | 2c 32 37 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 86 cf 65 46 50 01 00 00 09 63 72 65 61 74 65 | ,27)..updated_at...eFP....create |
67e00 | 64 5f 61 74 00 85 cf 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at...eFP....default_fingerprin |
67e20 | 74 5f 73 69 7a 65 00 00 00 00 00 00 05 05 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 | t_size..........._id.V..(+r.+@.. |
67e40 | fa 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ad 03 | ..warnings.......fingerprints... |
67e60 | 00 00 04 4d 50 32 44 00 a2 03 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 | ...MP2D......0.....1;1-1-2;2-1-8 |
67e80 | 3b 32 2d 31 2d 39 3b 00 02 31 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 | ;2-1-9;..1.....2;1-1-1;1-1-8;1-1 |
67ea0 | 2d 39 3b 32 2d 31 2d 31 3b 00 02 32 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 | -9;2-1-1;..2.....9;1-1-2;2-1-1;2 |
67ec0 | 2d 31 2d 38 3b 00 02 33 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 | -1-8;..3.!...8;1-1-1;1-1-2;2-3-1 |
67ee0 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 34 00 27 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 | ;2-1-2;2-1-9;..4.'...1;1-2-1;1-1 |
67f00 | 2d 32 3b 31 2d 31 2d 38 3b 32 2d 35 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 35 00 1b | -2;1-1-8;2-5-1;2-1-2;2-1-9;..5.. |
67f20 | 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 36 | ...1;1-2-1;2-2-1;2-1-2;2-1-8;..6 |
67f40 | 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 37 00 15 00 00 00 31 3b 31 2d 33 | .....1;1-2-1;2-3-1;..7.....1;1-3 |
67f60 | 2d 31 3b 32 2d 35 2d 31 3b 32 2d 31 2d 32 3b 00 02 38 00 1b 00 00 00 31 3b 31 2d 34 2d 31 3b 32 | -1;2-5-1;2-1-2;..8.....1;1-4-1;2 |
67f80 | 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 39 00 0f 00 00 00 31 3b 31 2d 31 2d 31 | -4-1;2-1-2;2-1-8;..9.....1;1-1-1 |
67fa0 | 3b 32 2d 33 2d 31 3b 00 02 31 30 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b 00 02 | ;2-3-1;..10.....1;1-2-1;2-4-1;.. |
67fc0 | 31 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 32 00 15 00 00 00 31 3b | 11.....1;1-2-1;2-3-1;..12.....1; |
67fe0 | 31 2d 33 2d 31 3b 32 2d 34 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 33 00 1b 00 00 00 31 3b 31 2d 32 | 1-3-1;2-4-1;2-2-2;..13.....1;1-2 |
68000 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 34 00 22 00 00 00 32 3b | -1;1-1-2;2-4-1;2-1-2;..14."...2; |
68020 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 | 1-1-1;1-1-2;2-2-1;2-1-2;2-1-15;. |
68040 | 02 31 35 00 1c 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 31 3b 32 2d 31 | .15.....2;1-2-2;1-1-15;2-2-1;2-1 |
68060 | 2d 32 3b 00 02 31 36 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 33 2d 31 3b | -2;..16."...2;1-1-1;1-2-2;2-3-1; |
68080 | 32 2d 32 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 31 37 00 1b 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d | 2-2-2;2-1-15;..17.....2;1-2-2;2- |
680a0 | 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 38 00 21 00 00 00 32 3b 31 2d 31 2d 31 | 2-1;2-1-2;2-1-9;..18.!...2;1-1-1 |
680c0 | 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 39 00 15 00 | ;1-1-2;1-1-9;2-2-1;2-1-2;..19... |
680e0 | 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 30 00 21 00 00 00 31 | ..9;1-1-2;2-1-1;2-1-2;..20.!...1 |
68100 | 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 | ;1-2-1;1-1-2;2-3-1;2-1-2;2-1-9;. |
68120 | 02 32 31 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 34 2d 31 3b 32 2d 32 2d 32 3b 00 02 32 32 | .21.....1;1-3-1;2-4-1;2-2-2;..22 |
68140 | 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 2d 32 2d 32 3b 00 | .....1;1-3-1;1-1-2;2-4-1;2-2-2;. |
68160 | 02 32 33 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 34 | .23.....1;1-1-1;2-2-1;2-1-2;..24 |
68180 | 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 35 00 10 00 | .....1;1-2-1;2-3-1;2-1-2;..25... |
681a0 | 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 02 32 36 00 1b 00 00 00 32 3b 31 2d 32 2d | ..15;1-1-2;2-2-2;..26.....2;1-2- |
681c0 | 31 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 37 00 0f 00 00 00 39 3b 31 | 1;1-1-9;2-2-1;2-1-8;..27.....9;1 |
681e0 | 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 02 32 38 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d | -1-2;2-2-1;..28.....1;1-1-2;2-1- |
68200 | 31 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 3c 00 00 00 43 43 28 3d 4f 29 4f 43 31 | 1;2-1-9;....smiles.<...CC(=O)OC1 |
68220 | 28 43 43 43 32 43 31 28 43 29 43 43 43 31 43 32 43 3d 43 28 43 32 3d 43 43 28 3d 4f 29 43 33 43 | (CCC2C1(C)CCC1C2C=C(C2=CC(=O)C3C |
68240 | 28 43 31 32 43 29 43 33 29 43 6c 29 43 28 3d 4f 29 43 00 02 69 6e 63 68 69 00 8c 00 00 00 49 6e | (C12C)C3)Cl)C(=O)C..inchi.....In |
68260 | 43 68 49 3d 31 53 2f 43 32 34 48 32 39 43 6c 4f 34 2f 63 31 2d 31 32 28 32 36 29 32 34 28 32 39 | ChI=1S/C24H29ClO4/c1-12(26)24(29 |
68280 | 2d 31 33 28 32 29 32 37 29 38 2d 36 2d 31 36 2d 31 34 2d 31 30 2d 32 30 28 32 35 29 31 39 2d 31 | -13(2)27)8-6-16-14-10-20(25)19-1 |
682a0 | 31 2d 32 31 28 32 38 29 31 35 2d 39 2d 31 38 28 31 35 29 32 33 28 31 39 2c 34 29 31 37 28 31 34 | 1-21(28)15-9-18(15)23(19,4)17(14 |
682c0 | 29 35 2d 37 2d 32 32 28 31 36 2c 32 34 29 33 2f 68 31 30 2d 31 31 2c 31 34 2d 31 38 48 2c 35 2d | )5-7-22(16,24)3/h10-11,14-18H,5- |
682e0 | 39 48 32 2c 31 2d 34 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 8f cf 65 46 50 01 00 00 09 63 | 9H2,1-4H3..updated_at...eFP....c |
68300 | 72 65 61 74 65 64 5f 61 74 00 8d cf 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at...eFP....default_finge |
68320 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 11 07 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 | rprint_size..........._id.V..(+r |
68340 | ed 2b 40 00 02 fb 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .+@....warnings.......fingerprin |
68360 | 74 73 00 67 05 00 00 04 4d 50 32 44 00 5c 05 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b | ts.g....MP2D.\....0.....8;1-1-1; |
68380 | 32 2d 31 2d 31 3b 00 02 31 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d | 2-1-1;..1.....1;1-1-1;1-1-8;2-1- |
683a0 | 32 3b 32 2d 31 2d 36 3b 00 02 32 00 2d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d | 2;2-1-6;..2.-...1;1-1-1;1-1-2;1- |
683c0 | 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 33 00 | 1-6;2-1-2;2-1-6;2-1-8;2-1-9;..3. |
683e0 | 21 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d | !...6;1-1-1;1-1-2;2-2-1;2-1-2;2- |
68400 | 31 2d 39 3b 00 02 34 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b | 1-9;..4.!...2;1-1-1;1-1-6;1-1-9; |
68420 | 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 35 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d | 2-2-1;2-1-6;..5.....9;1-1-2;2-1- |
68440 | 31 3b 32 2d 31 2d 36 3b 00 02 36 00 2d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d | 1;2-1-6;..6.-...1;1-1-1;1-1-2;1- |
68460 | 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 37 00 | 1-6;2-1-1;2-1-2;2-1-6;2-1-9;..7. |
68480 | 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 38 00 0f 00 00 00 | ....1;1-2-1;2-1-2;2-1-6;..8..... |
684a0 | 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 39 00 21 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d | 1;1-1-1;2-1-1;..9.!...6;1-1-1;1- |
684c0 | 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 30 00 22 00 00 00 32 | 1-2;2-2-1;2-1-2;2-1-9;..10."...2 |
684e0 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 38 3b | ;1-1-1;1-1-6;1-1-9;2-2-1;2-1-28; |
68500 | 00 02 31 31 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 | ..11.....9;1-1-2;2-1-1;2-1-6;..1 |
68520 | 32 00 35 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 | 2.5...1;1-1-1;1-1-2;1-1-28;2-2-1 |
68540 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 35 3b 00 02 31 33 00 2a | ;2-1-2;2-1-6;2-1-9;2-1-15;..13.* |
68560 | 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d | ...1;1-2-1;1-1-15;2-1-1;2-1-2;2- |
68580 | 31 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 02 31 34 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d | 1-15;2-1-28;..14.....15;1-1-1;2- |
685a0 | 32 2d 31 3b 00 02 31 35 00 24 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d | 2-1;..15.$...1;1-2-1;1-1-15;2-1- |
685c0 | 31 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 02 31 36 00 23 00 00 00 31 3b 31 2d 31 2d 31 | 1;2-1-15;2-1-28;..16.#...1;1-1-1 |
685e0 | 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 31 37 00 | ;1-1-28;2-2-1;2-1-2;2-1-15;..17. |
68600 | 22 00 00 00 32 38 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 | "...28;1-2-1;1-1-2;2-3-1;2-1-2;2 |
68620 | 2d 31 2d 39 3b 00 02 31 38 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d | -1-9;..18."...2;1-1-1;1-1-9;1-1- |
68640 | 32 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 39 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b | 28;2-3-1;2-1-6;..19.....9;1-1-2; |
68660 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 32 30 00 2e 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | 2-1-1;2-1-28;..20.....1;1-1-1;1- |
68680 | 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d | 1-2;1-1-6;2-1-2;2-1-8;2-1-9;2-1- |
686a0 | 32 38 3b 00 02 32 31 00 21 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b | 28;..21.!...6;1-1-1;1-1-2;2-2-1; |
686c0 | 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 32 32 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-1-2;2-1-9;..22.....2;1-1-1;1-1 |
686e0 | 2d 36 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 00 02 32 33 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b | -6;1-1-9;2-2-1;..23.!...1;1-1-1; |
68700 | 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 32 2d 36 3b 32 2d 31 2d 39 3b 00 02 32 34 00 21 00 00 | 1-1-2;2-1-3;2-2-6;2-1-9;..24.!.. |
68720 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 | .1;1-1-1;1-1-3;1-1-6;2-2-2;2-2-3 |
68740 | 3b 00 02 32 35 00 21 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d | ;..25.!...6;1-1-1;1-1-2;2-2-1;2- |
68760 | 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 36 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 | 1-3;2-1-9;..26.!...2;1-1-1;1-1-6 |
68780 | 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 32 37 00 15 00 00 00 39 3b 31 2d | ;1-1-9;2-2-1;2-1-6;..27.....9;1- |
687a0 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 32 38 00 21 00 00 00 33 3b 31 2d 31 2d 31 | 1-2;2-1-1;2-1-6;..28.!...3;1-1-1 |
687c0 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 32 39 00 15 00 | ;1-2-3;2-1-1;2-2-3;2-1-6;..29... |
687e0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 30 00 0f 00 00 00 33 | ..3;1-2-3;2-1-1;2-2-3;..30.....3 |
68800 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 33 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;1-2-3;2-2-3;..31.....3;1-2-3;2- |
68820 | 32 2d 33 3b 00 02 33 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 33 33 00 | 2-3;..32.....3;1-2-3;2-2-3;..33. |
68840 | 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 34 00 15 00 00 | ....3;1-2-3;2-1-1;2-2-3;..34.... |
68860 | 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 33 35 00 1b 00 00 00 31 3b | .9;1-1-2;2-1-1;2-1-6;..35.....1; |
68880 | 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 33 36 00 0f 00 00 | 1-1-1;1-1-8;2-1-2;2-1-6;..36.... |
688a0 | 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 33 37 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 | .8;1-1-1;2-1-1;..37.....15;1-1-1 |
688c0 | 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 46 00 00 00 4f 43 43 31 4e 3d 43 28 4f 29 | ;2-2-1;....smiles.F...OCC1N=C(O) |
688e0 | 43 28 43 43 29 4e 3d 43 28 4f 29 43 32 43 28 43 6c 29 43 28 43 4e 32 43 28 3d 4f 29 43 28 4e 3d | C(CC)N=C(O)C2C(Cl)C(CN2C(=O)C(N= |
68900 | 43 28 43 43 28 4e 3d 43 31 4f 29 63 31 63 63 63 63 63 31 29 4f 29 43 4f 29 43 6c 00 02 69 6e 63 | C(CC(N=C1O)c1ccccc1)O)CO)Cl..inc |
68920 | 68 69 00 d4 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 34 48 33 31 43 6c 32 4e 35 4f 37 2f 63 31 | hi.....InChI=1S/C24H31Cl2N5O7/c1 |
68940 | 2d 32 2d 31 34 2d 32 31 28 33 35 29 33 30 2d 31 36 28 31 30 2d 33 32 29 32 32 28 33 36 29 32 39 | -2-14-21(35)30-16(10-32)22(36)29 |
68960 | 2d 31 35 28 31 32 2d 36 2d 34 2d 33 2d 35 2d 37 2d 31 32 29 38 2d 31 38 28 33 34 29 32 37 2d 31 | -15(12-6-4-3-5-7-12)8-18(34)27-1 |
68980 | 37 28 31 31 2d 33 33 29 32 34 28 33 38 29 33 31 2d 39 2d 31 33 28 32 35 29 31 39 28 32 36 29 32 | 7(11-33)24(38)31-9-13(25)19(26)2 |
689a0 | 30 28 33 31 29 32 33 28 33 37 29 32 38 2d 31 34 2f 68 33 2d 37 2c 31 33 2d 31 37 2c 31 39 2d 32 | 0(31)23(37)28-14/h3-7,13-17,19-2 |
689c0 | 30 2c 33 32 2d 33 33 48 2c 32 2c 38 2d 31 31 48 32 2c 31 48 33 2c 28 48 2c 32 37 2c 33 34 29 28 | 0,32-33H,2,8-11H2,1H3,(H,27,34)( |
689e0 | 48 2c 32 38 2c 33 37 29 28 48 2c 32 39 2c 33 36 29 28 48 2c 33 30 2c 33 35 29 00 09 75 70 64 61 | H,28,37)(H,29,36)(H,30,35)..upda |
68a00 | 74 65 64 5f 61 74 00 98 cf 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 97 cf 65 46 50 | ted_at...eFP....created_at...eFP |
68a20 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
68a40 | 00 00 9d 05 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 fc 04 77 61 72 6e 69 6e 67 73 | ......._id.V..(+r.+@....warnings |
68a60 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 2f 04 00 00 04 4d 50 32 44 00 24 04 | .......fingerprints./....MP2D.$. |
68a80 | 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 00 0f 00 00 00 31 | ...0.....1;1-1-1;2-2-1;..1.....1 |
68aa0 | 3b 31 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | ;1-3-1;2-1-2;..2.!...1;1-1-1;1-1 |
68ac0 | 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 33 00 1b 00 00 00 32 3b 31 | -2;2-2-1;2-1-8;2-1-9;..3.....2;1 |
68ae0 | 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 00 02 34 00 15 00 00 00 39 | -1-1;1-1-8;1-1-9;2-2-1;..4.....9 |
68b00 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 21 00 00 00 38 3b 31 2d 31 | ;1-1-2;2-1-1;2-1-8;..5.!...8;1-1 |
68b20 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 36 00 21 | -1;1-1-2;2-2-1;2-1-2;2-1-9;..6.! |
68b40 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 | ...1;1-1-1;1-1-2;1-1-8;2-2-1;2-2 |
68b60 | 2d 32 3b 00 02 37 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 | -2;..7.....1;1-2-1;2-3-1;2-1-2;2 |
68b80 | 2d 31 2d 38 3b 00 02 38 00 1b 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 | -1-8;..8.....1;1-4-1;2-4-1;2-1-2 |
68ba0 | 3b 32 2d 32 2d 38 3b 00 02 39 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 | ;2-2-8;..9.....1;1-1-1;1-1-8;2-3 |
68bc0 | 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 30 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | -1;2-1-2;..10.....8;1-1-1;1-1-2; |
68be0 | 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 31 31 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-2-1;2-1-9;..11.....2;1-1-1;1-1 |
68c00 | 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 00 02 31 32 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b | -8;1-1-9;2-1-1;..12.....9;1-1-2; |
68c20 | 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 33 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 | 2-1-1;2-1-8;..13.....1;1-1-2;2-1 |
68c40 | 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 34 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | -8;2-1-9;..14.!...1;1-1-1;1-1-2; |
68c60 | 31 2d 31 2d 38 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 35 00 1b 00 00 00 32 3b 31 2d 31 | 1-1-8;2-4-1;2-1-2;..15.....2;1-1 |
68c80 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 36 00 1b 00 00 00 32 3b | -1;1-1-2;2-3-1;2-1-8;..16.....2; |
68ca0 | 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 37 00 15 00 00 | 1-2-1;1-1-2;2-2-1;2-1-8;..17.... |
68cc0 | 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 38 00 15 00 00 00 38 3b | .1;1-1-2;2-1-1;2-1-2;..18.....8; |
68ce0 | 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 39 00 1b 00 00 00 31 3b 31 2d 32 | 1-2-1;2-3-1;2-1-2;..19.....1;1-2 |
68d00 | 2d 31 3b 31 2d 31 2d 38 3b 32 2d 34 2d 31 3b 32 2d 32 2d 38 3b 00 02 32 30 00 1b 00 00 00 31 3b | -1;1-1-8;2-4-1;2-2-8;..20.....1; |
68d20 | 31 2d 33 2d 31 3b 31 2d 31 2d 38 3b 32 2d 35 2d 31 3b 32 2d 32 2d 38 3b 00 02 32 31 00 15 00 00 | 1-3-1;1-1-8;2-5-1;2-2-8;..21.... |
68d40 | 00 31 3b 31 2d 34 2d 31 3b 32 2d 36 2d 31 3b 32 2d 32 2d 38 3b 00 02 32 32 00 0f 00 00 00 31 3b | .1;1-4-1;2-6-1;2-2-8;..22.....1; |
68d60 | 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 32 33 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 | 1-1-1;2-3-1;..23.!...1;1-2-1;1-1 |
68d80 | 2d 38 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 34 00 1b 00 00 00 38 3b | -8;2-4-1;2-1-2;2-1-8;..24.....8; |
68da0 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b 00 02 32 35 00 1b 00 00 | 1-1-1;1-1-2;2-3-1;2-1-9;..25.... |
68dc0 | 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 00 02 32 36 00 | .2;1-1-1;1-1-8;1-1-9;2-1-1;..26. |
68de0 | 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 37 00 15 00 00 | ....9;1-1-2;2-1-1;2-1-8;..27.... |
68e00 | 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 38 00 1b 00 00 00 31 3b | .1;1-1-2;2-1-8;2-1-9;..28.....1; |
68e20 | 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 32 39 00 0f 00 00 | 1-2-1;1-1-8;2-2-1;2-2-8;..29.... |
68e40 | 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 30 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b | .8;1-1-1;2-2-1;..30.....1;1-1-1; |
68e60 | 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 31 00 0f 00 00 00 38 3b 31 2d 32 | 1-1-8;2-3-1;2-1-8;..31.....8;1-2 |
68e80 | 2d 31 3b 32 2d 34 2d 31 3b 00 02 33 32 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b | -1;2-4-1;..32.....1;1-1-1;2-2-1; |
68ea0 | 00 00 00 02 73 6d 69 6c 65 73 00 40 00 00 00 43 43 28 43 43 28 3d 4f 29 4f 43 31 43 43 32 28 43 | ....smiles.@...CC(CC(=O)OC1CC2(C |
68ec0 | 4f 43 28 3d 4f 29 43 29 43 28 43 3d 43 31 43 29 4f 43 31 43 33 28 43 32 28 43 29 43 28 4f 43 28 | OC(=O)C)C(C=C1C)OC1C3(C2(C)C(OC( |
68ee0 | 3d 4f 29 43 29 43 31 4f 29 43 4f 33 29 43 00 02 69 6e 63 68 69 00 9e 00 00 00 49 6e 43 68 49 3d | =O)C)C1O)CO3)C..inchi.....InChI= |
68f00 | 31 53 2f 43 32 34 48 33 34 4f 39 2f 63 31 2d 31 32 28 32 29 37 2d 31 38 28 32 37 29 33 32 2d 31 | 1S/C24H34O9/c1-12(2)7-18(27)32-1 |
68f20 | 36 2d 39 2d 32 33 28 31 30 2d 32 39 2d 31 34 28 34 29 32 35 29 31 37 28 38 2d 31 33 28 31 36 29 | 6-9-23(10-29-14(4)25)17(8-13(16) |
68f40 | 33 29 33 33 2d 32 31 2d 31 39 28 32 38 29 32 30 28 33 31 2d 31 35 28 35 29 32 36 29 32 32 28 32 | 3)33-21-19(28)20(31-15(5)26)22(2 |
68f60 | 33 2c 36 29 32 34 28 32 31 29 31 31 2d 33 30 2d 32 34 2f 68 38 2c 31 32 2c 31 36 2d 31 37 2c 31 | 3,6)24(21)11-30-24/h8,12,16-17,1 |
68f80 | 39 2d 32 31 2c 32 38 48 2c 37 2c 39 2d 31 31 48 32 2c 31 2d 36 48 33 00 09 75 70 64 61 74 65 64 | 9-21,28H,7,9-11H2,1-6H3..updated |
68fa0 | 5f 61 74 00 a1 cf 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 9f cf 65 46 50 01 00 00 | _at...eFP....created_at...eFP... |
68fc0 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 0e | .default_fingerprint_size....... |
68fe0 | 05 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 02 fd 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..(+r.+@....warnings... |
69000 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 af 03 00 00 04 4d 50 32 44 00 a4 03 00 00 02 | ....fingerprints......MP2D...... |
69020 | 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 15 00 00 00 31 3b 31 2d | 0.....1;1-1-1;2-1-1;..1.....1;1- |
69040 | 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b | 2-1;2-1-1;2-1-2;..2.!...1;1-2-1; |
69060 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 33 00 1b 00 00 00 | 1-1-2;2-1-1;2-1-8;2-1-9;..3..... |
69080 | 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b 00 02 34 00 15 00 | 2;1-1-1;1-1-8;1-1-9;2-3-1;..4... |
690a0 | 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 1b 00 00 00 38 3b | ..9;1-1-2;2-1-1;2-1-8;..5.....8; |
690c0 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b 00 02 36 00 1b 00 00 00 | 1-1-1;1-1-2;2-3-1;2-1-9;..6..... |
690e0 | 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 37 00 1b 00 | 1;1-2-1;1-1-8;2-2-1;2-2-2;..7... |
69100 | 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 38 00 | ..1;1-2-1;2-2-1;2-1-2;2-1-8;..8. |
69120 | 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 | ....1;1-2-1;1-1-2;2-1-1;2-1-2;.. |
69140 | 39 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 30 00 1b | 9.....1;1-1-1;2-1-1;2-1-2;..10.. |
69160 | 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 | ...2;1-1-1;1-1-2;2-3-1;2-1-2;..1 |
69180 | 31 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b | 1.....2;1-1-1;1-2-2;2-3-1;2-1-2; |
691a0 | 00 02 31 32 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 32 | ..12.!...1;1-2-1;1-1-2;2-3-1;2-2 |
691c0 | 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 33 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 33 2d 31 3b | -2;2-1-8;..13.....1;1-3-1;2-3-1; |
691e0 | 32 2d 32 2d 32 3b 00 02 31 34 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 | 2-2-2;..14.....1;1-2-1;2-3-1;..1 |
69200 | 35 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 36 00 1b | 5.....1;1-2-1;2-2-1;2-1-8;..16.. |
69220 | 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 | ...1;1-2-1;1-1-8;2-2-1;2-1-2;..1 |
69240 | 37 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 31 38 00 1b | 7.....1;1-2-1;2-2-1;2-2-8;..18.. |
69260 | 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 | ...1;1-2-1;1-1-8;2-1-1;2-1-2;..1 |
69280 | 39 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 30 00 21 00 00 00 31 3b 31 | 9.....8;1-1-1;2-2-1;..20.!...1;1 |
692a0 | 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 | -1-1;1-1-2;2-1-1;2-2-8;2-1-9;..2 |
692c0 | 31 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b | 1.....2;1-1-1;1-1-8;1-1-9;2-2-1; |
692e0 | 00 02 32 32 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 | ..22.....9;1-1-2;2-1-1;2-1-8;..2 |
69300 | 33 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b | 3.....8;1-1-1;1-1-2;2-3-1;2-1-9; |
69320 | 00 02 32 34 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 | ..24.....1;1-2-1;1-1-2;2-2-1;2-1 |
69340 | 2d 32 3b 00 02 32 35 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b | -2;..25.....2;1-1-1;1-1-2;2-2-1; |
69360 | 32 2d 31 2d 32 3b 00 02 32 36 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 | 2-1-2;..26.....2;1-2-2;2-2-1;2-1 |
69380 | 2d 32 3b 00 02 32 37 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b | -2;..27.....1;1-1-1;2-1-1;2-1-2; |
693a0 | 00 02 32 38 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 | ..28.....1;1-1-1;2-1-1;2-1-2;... |
693c0 | 02 73 6d 69 6c 65 73 00 36 00 00 00 43 43 43 28 43 28 3d 4f 29 4f 43 31 43 43 28 43 29 43 3d 43 | .smiles.6...CCC(C(=O)OC1CC(C)C=C |
693e0 | 32 43 31 43 28 43 43 43 31 43 43 28 4f 29 43 43 28 3d 4f 29 4f 31 29 43 28 43 3d 43 32 29 43 29 | 2C1C(CCC1CC(O)CC(=O)O1)C(C=C2)C) |
69400 | 43 00 02 69 6e 63 68 69 00 99 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 34 48 33 36 4f 35 2f 63 | C..inchi.....InChI=1S/C24H36O5/c |
69420 | 31 2d 35 2d 31 35 28 33 29 32 34 28 32 37 29 32 39 2d 32 31 2d 31 31 2d 31 34 28 32 29 31 30 2d | 1-5-15(3)24(27)29-21-11-14(2)10- |
69440 | 31 37 2d 37 2d 36 2d 31 36 28 34 29 32 30 28 32 33 28 31 37 29 32 31 29 39 2d 38 2d 31 39 2d 31 | 17-7-6-16(4)20(23(17)21)9-8-19-1 |
69460 | 32 2d 31 38 28 32 35 29 31 33 2d 32 32 28 32 36 29 32 38 2d 31 39 2f 68 36 2d 37 2c 31 30 2c 31 | 2-18(25)13-22(26)28-19/h6-7,10,1 |
69480 | 34 2d 31 36 2c 31 38 2d 32 31 2c 32 33 2c 32 35 48 2c 35 2c 38 2d 39 2c 31 31 2d 31 33 48 32 2c | 4-16,18-21,23,25H,5,8-9,11-13H2, |
694a0 | 31 2d 34 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 a8 cf 65 46 50 01 00 00 09 63 72 65 61 74 | 1-4H3..updated_at...eFP....creat |
694c0 | 65 64 5f 61 74 00 a7 cf 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at...eFP....default_fingerpri |
694e0 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 4b 04 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 | nt_size......K...._id.V..(+r.+@. |
69500 | 02 fe 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 1b | ...warnings.......fingerprints.. |
69520 | 03 00 00 04 4d 50 32 44 00 10 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d | ....MP2D......0.....1;1-1-1;2-1- |
69540 | 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 00 0f 00 00 00 | 1;..1.....1;1-2-1;2-1-1;..2..... |
69560 | 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d | 1;1-2-1;2-2-1;..3.....1;1-2-1;2- |
69580 | 33 2d 31 3b 00 02 34 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b | 3-1;..4.....1;1-3-1;2-2-1;2-1-8; |
695a0 | 00 02 35 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d | ..5.....1;1-1-1;1-1-8;2-2-1;2-1- |
695c0 | 31 32 3b 00 02 36 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b | 12;..6."...8;1-1-1;1-1-12;2-1-1; |
695e0 | 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 37 00 16 00 00 00 31 32 3b 31 2d 33 2d 38 3b 31 2d 31 | 2-2-8;2-1-9;..7.....12;1-3-8;1-1 |
69600 | 2d 39 3b 32 2d 33 2d 31 3b 00 02 38 00 10 00 00 00 39 3b 31 2d 31 2d 31 32 3b 32 2d 33 2d 38 3b | -9;2-3-1;..8.....9;1-1-12;2-3-8; |
69620 | 00 02 39 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 32 | ..9."...8;1-1-1;1-1-12;2-1-1;2-2 |
69640 | 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 30 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b | -8;2-1-9;..10.....1;1-1-1;1-1-8; |
69660 | 32 2d 32 2d 31 3b 32 2d 31 2d 31 32 3b 00 02 31 31 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d | 2-2-1;2-1-12;..11.....1;1-3-1;2- |
69680 | 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 32 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 | 2-1;2-1-8;..12.....1;1-2-1;2-3-1 |
696a0 | 3b 00 02 31 33 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 34 00 0f 00 00 | ;..13.....1;1-2-1;2-2-1;..14.... |
696c0 | 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 35 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b | .1;1-2-1;2-1-1;..15.....1;1-1-1; |
696e0 | 32 2d 31 2d 31 3b 00 02 31 36 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 | 2-1-1;..16.....1;1-2-1;2-2-1;..1 |
69700 | 37 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 38 00 22 00 00 00 38 3b 31 | 7.....1;1-1-1;2-1-1;..18."...8;1 |
69720 | 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 | -1-1;1-1-12;2-1-1;2-2-8;2-1-9;.. |
69740 | 31 39 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 | 19.....1;1-1-1;1-1-8;2-2-1;2-1-1 |
69760 | 32 3b 00 02 32 30 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 | 2;..20.....1;1-3-1;2-2-1;2-1-8;. |
69780 | 02 32 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 32 32 00 0f 00 00 00 31 | .21.....1;1-2-1;2-3-1;..22.....1 |
697a0 | 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 33 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d | ;1-2-1;2-2-1;..23.....1;1-2-1;2- |
697c0 | 31 2d 31 3b 00 02 32 34 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 35 00 | 1-1;..24.....1;1-1-1;2-1-1;..25. |
697e0 | 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 36 00 0f 00 00 00 31 3b 31 2d 31 | ....1;1-2-1;2-2-1;..26.....1;1-1 |
69800 | 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 37 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b | -1;2-1-1;..27.....1;1-2-1;2-2-1; |
69820 | 00 02 32 38 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 | ..28.....1;1-1-1;2-1-1;....smile |
69840 | 73 00 29 00 00 00 43 43 43 43 43 28 43 4f 50 28 3d 4f 29 28 4f 43 43 28 43 43 43 43 29 43 43 29 | s.)...CCCCC(COP(=O)(OCC(CCCC)CC) |
69860 | 4f 43 43 28 43 43 43 43 29 43 43 29 43 43 00 02 69 6e 63 68 69 00 77 00 00 00 49 6e 43 68 49 3d | OCC(CCCC)CC)CC..inchi.w...InChI= |
69880 | 31 53 2f 43 32 34 48 35 31 4f 34 50 2f 63 31 2d 37 2d 31 33 2d 31 36 2d 32 32 28 31 30 2d 34 29 | 1S/C24H51O4P/c1-7-13-16-22(10-4) |
698a0 | 31 39 2d 32 36 2d 32 39 28 32 35 2c 32 37 2d 32 30 2d 32 33 28 31 31 2d 35 29 31 37 2d 31 34 2d | 19-26-29(25,27-20-23(11-5)17-14- |
698c0 | 38 2d 32 29 32 38 2d 32 31 2d 32 34 28 31 32 2d 36 29 31 38 2d 31 35 2d 39 2d 33 2f 68 32 32 2d | 8-2)28-21-24(12-6)18-15-9-3/h22- |
698e0 | 32 34 48 2c 37 2d 32 31 48 32 2c 31 2d 36 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 b4 cf 65 | 24H,7-21H2,1-6H3..updated_at...e |
69900 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 b2 cf 65 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at...eFP....defaul |
69920 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 29 05 00 00 07 5f 69 64 | t_fingerprint_size......)...._id |
69940 | 00 56 16 1e 28 2b 72 ed 2b 40 00 02 ff 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..(+r.+@....warnings.......fin |
69960 | 67 65 72 70 72 69 6e 74 73 00 be 03 00 00 04 4d 50 32 44 00 b3 03 00 00 02 30 00 17 00 00 00 33 | gerprints......MP2D......0.....3 |
69980 | 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 31 00 16 00 00 00 32 3b 31 | 2;1-1-2;2-1-1;2-1-32;..1.....2;1 |
699a0 | 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 33 2d 31 3b 00 02 32 00 17 00 00 00 33 32 3b 31 2d 31 | -1-1;1-2-32;2-3-1;..2.....32;1-1 |
699c0 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 33 00 1c 00 00 00 31 3b 31 2d 33 2d 31 3b | -2;2-1-1;2-1-32;..3.....1;1-3-1; |
699e0 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 32 3b 00 02 34 00 15 00 00 00 31 3b 31 2d 32 | 1-1-2;2-1-1;2-2-32;..4.....1;1-2 |
69a00 | 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 35 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 | -1;2-3-1;2-1-2;..5.....1;1-2-1;2 |
69a20 | 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 36 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 | -1-1;2-1-8;..6.....1;1-1-1;1-1-8 |
69a40 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 37 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 | ;2-1-1;2-1-3;..7.....8;1-1-1;1-1 |
69a60 | 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | -3;2-1-1;2-2-3;..8.....3;1-2-3;1 |
69a80 | 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 | -1-8;2-1-1;2-2-3;..9.....3;1-2-3 |
69aa0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-3;2-1-8;..10.....3;1-2-3;2- |
69ac0 | 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 31 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 | 2-3;2-1-8;..11.....3;1-2-3;1-1-8 |
69ae0 | 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 31 32 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d | ;2-1-1;2-3-3;..12.....3;1-3-3;2- |
69b00 | 34 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 | 4-3;2-1-8;..13.....3;1-2-3;2-3-3 |
69b20 | 3b 32 2d 31 2d 38 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 | ;2-1-8;..14.....3;1-3-3;2-4-3;.. |
69b40 | 31 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 36 00 0f 00 00 00 33 3b | 15.....3;1-2-3;2-3-3;..16.....3; |
69b60 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 1-2-3;2-2-3;..17.....3;1-2-3;2-2 |
69b80 | 2d 33 3b 00 02 31 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 39 00 0f | -3;..18.....3;1-2-3;2-2-3;..19.. |
69ba0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 32 30 00 1b 00 00 00 38 3b 31 2d 31 2d | ...3;1-2-3;2-3-3;..20.....8;1-1- |
69bc0 | 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 31 00 1b 00 00 00 31 3b 31 | 1;1-1-3;2-1-1;2-2-3;..21.....1;1 |
69be0 | 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 32 00 15 00 00 00 | -1-1;1-1-8;2-1-1;2-1-3;..22..... |
69c00 | 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 33 00 15 00 00 00 31 3b 31 | 1;1-2-1;2-1-1;2-1-8;..23.....1;1 |
69c20 | 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 34 00 1c 00 00 00 31 3b 31 2d 33 2d | -2-1;2-3-1;2-1-2;..24.....1;1-3- |
69c40 | 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 32 3b 00 02 32 35 00 16 00 00 00 32 3b | 1;1-1-2;2-1-1;2-2-32;..25.....2; |
69c60 | 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 33 2d 31 3b 00 02 32 36 00 17 00 00 00 33 32 3b 31 | 1-1-1;1-2-32;2-3-1;..26.....32;1 |
69c80 | 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 32 37 00 17 00 00 00 33 32 3b 31 2d | -1-2;2-1-1;2-1-32;..27.....32;1- |
69ca0 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 32 38 00 15 00 00 00 31 3b 31 2d 31 2d | 1-2;2-1-1;2-1-32;..28.....1;1-1- |
69cc0 | 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 39 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 | 1;2-2-1;2-1-2;..29.....1;1-1-1;2 |
69ce0 | 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d | -2-1;2-1-2;..30.....1;1-1-1;2-2- |
69d00 | 31 3b 32 2d 31 2d 32 3b 00 02 33 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 | 1;2-1-2;..31.....1;1-1-1;2-2-1;2 |
69d20 | 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 37 00 00 00 4f 43 28 3d 4f 29 43 28 43 43 43 4f | -1-2;....smiles.7...OC(=O)C(CCCO |
69d40 | 63 31 63 63 63 28 63 28 63 31 29 63 31 63 63 63 63 63 31 29 4f 43 43 43 43 28 43 28 3d 4f 29 4f | c1ccc(c(c1)c1ccccc1)OCCCC(C(=O)O |
69d60 | 29 28 43 29 43 29 28 43 29 43 00 02 69 6e 63 68 69 00 a4 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | )(C)C)(C)C..inchi.....InChI=1S/C |
69d80 | 32 36 48 33 34 4f 36 2f 63 31 2d 32 35 28 32 2c 32 33 28 32 37 29 32 38 29 31 34 2d 38 2d 31 36 | 26H34O6/c1-25(2,23(27)28)14-8-16 |
69da0 | 2d 33 31 2d 32 30 2d 31 32 2d 31 33 2d 32 32 28 32 31 28 31 38 2d 32 30 29 31 39 2d 31 30 2d 36 | -31-20-12-13-22(21(18-20)19-10-6 |
69dc0 | 2d 35 2d 37 2d 31 31 2d 31 39 29 33 32 2d 31 37 2d 39 2d 31 35 2d 32 36 28 33 2c 34 29 32 34 28 | -5-7-11-19)32-17-9-15-26(3,4)24( |
69de0 | 32 39 29 33 30 2f 68 35 2d 37 2c 31 30 2d 31 33 2c 31 38 48 2c 38 2d 39 2c 31 34 2d 31 37 48 32 | 29)30/h5-7,10-13,18H,8-9,14-17H2 |
69e00 | 2c 31 2d 34 48 33 2c 28 48 2c 32 37 2c 32 38 29 28 48 2c 32 39 2c 33 30 29 00 09 75 70 64 61 74 | ,1-4H3,(H,27,28)(H,29,30)..updat |
69e20 | 65 64 5f 61 74 00 c0 cf 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 bf cf 65 46 50 01 | ed_at...eFP....created_at...eFP. |
69e40 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
69e60 | 00 57 05 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 03 00 04 77 61 72 6e 69 6e 67 73 00 | .W...._id.V..(+r.+@....warnings. |
69e80 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 db 03 00 00 04 4d 50 32 44 00 d0 03 00 | ......fingerprints......MP2D.... |
69ea0 | 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 00 15 00 00 00 31 3b | ..0.....8;1-1-1;2-2-1;..1.....1; |
69ec0 | 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 00 02 32 00 15 00 00 00 31 3b 31 2d 33 2d | 1-2-1;1-1-8;2-3-1;..2.....1;1-3- |
69ee0 | 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d | 1;2-3-1;2-1-8;..3.....1;1-3-1;2- |
69f00 | 36 2d 31 3b 00 02 34 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 35 00 1b 00 | 6-1;..4.....1;1-2-1;2-3-1;..5... |
69f20 | 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 36 00 | ..1;1-2-1;2-2-1;2-1-2;2-1-8;..6. |
69f40 | 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 35 2d 31 3b 32 2d | !...1;1-2-1;1-1-2;1-1-8;2-5-1;2- |
69f60 | 31 2d 32 3b 00 02 37 00 1b 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b | 1-2;..7.....1;1-4-1;2-4-1;2-1-2; |
69f80 | 32 2d 31 2d 38 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 39 00 | 2-1-8;..8.....1;1-1-1;2-3-1;..9. |
69fa0 | 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b 00 02 31 30 00 15 00 00 00 31 3b 31 2d 32 | ....1;1-2-1;2-4-1;..10.....1;1-2 |
69fc0 | 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 31 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b | -1;2-2-1;2-1-2;..11.....1;1-2-1; |
69fe0 | 31 2d 31 2d 32 3b 32 2d 35 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 32 00 21 00 00 00 32 3b 31 2d 32 | 1-1-2;2-5-1;2-1-2;..12.!...2;1-2 |
6a000 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 33 00 | -1;1-1-2;2-4-1;2-1-2;2-1-8;..13. |
6a020 | 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b 00 02 31 34 00 21 00 00 | ....2;1-2-2;2-3-1;2-1-9;..14.!.. |
6a040 | 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 | .2;1-1-1;1-1-2;1-1-9;2-2-1;2-1-2 |
6a060 | 3b 00 02 31 35 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 | ;..15.....9;1-1-2;2-1-1;2-1-2;.. |
6a080 | 31 36 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 | 16.!...1;1-2-1;1-1-2;2-4-1;2-1-2 |
6a0a0 | 3b 32 2d 31 2d 39 3b 00 02 31 37 00 15 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 33 2d 31 3b 32 2d | ;2-1-9;..17.....1;1-4-1;2-3-1;2- |
6a0c0 | 32 2d 32 3b 00 02 31 38 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 39 00 | 2-2;..18.....1;1-1-1;2-3-1;..19. |
6a0e0 | 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 30 00 1b 00 00 | ....1;1-2-1;2-4-1;2-1-8;..20.... |
6a100 | 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 31 00 | .1;1-2-1;1-1-8;2-2-1;2-1-8;..21. |
6a120 | 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 32 00 1b 00 00 00 31 3b 31 2d 32 | ....8;1-1-1;2-2-1;..22.....1;1-2 |
6a140 | 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 33 00 1b 00 00 00 31 3b | -1;1-1-8;2-2-1;2-1-8;..23.....1; |
6a160 | 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 34 00 0f 00 00 | 1-2-1;2-2-1;2-1-2;2-1-8;..24.... |
6a180 | 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 35 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b | .8;1-1-1;2-2-1;..25.....8;1-1-1; |
6a1a0 | 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 36 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 | 2-2-1;2-1-2;..26.....1;1-1-1;2-2 |
6a1c0 | 2d 31 3b 00 02 32 37 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b | -1;..27.....1;1-2-1;2-2-1;2-1-8; |
6a1e0 | 00 02 32 38 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 | ..28.....1;1-2-1;2-3-1;2-1-8;..2 |
6a200 | 39 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 00 02 33 30 00 0f | 9.....1;1-3-1;1-1-8;2-1-1;..30.. |
6a220 | 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 33 31 00 15 00 00 00 31 3b 31 2d 31 2d | ...8;1-1-1;2-3-1;..31.....1;1-1- |
6a240 | 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 32 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 | 1;2-2-1;2-1-8;..32.....1;1-1-1;2 |
6a260 | 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 40 00 00 00 4f 43 28 43 28 43 | -2-1;2-1-8;....smiles.@...OC(C(C |
6a280 | 31 43 43 43 32 28 43 31 28 43 29 43 43 43 31 43 32 3d 43 43 28 3d 4f 29 43 32 43 31 28 43 29 43 | 1CCC2(C1(C)CCC1C2=CC(=O)C2C1(C)C |
6a2a0 | 43 28 4f 29 43 28 43 32 29 4f 29 4f 29 43 29 43 43 43 28 4f 29 28 43 29 43 00 02 69 6e 63 68 69 | C(O)C(C2)O)O)C)CCC(O)(C)C..inchi |
6a2c0 | 00 ac 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 37 48 34 34 4f 36 2f 63 31 2d 31 35 28 32 30 28 | .....InChI=1S/C27H44O6/c1-15(20( |
6a2e0 | 32 38 29 38 2d 39 2d 32 34 28 32 2c 33 29 33 32 29 31 36 2d 37 2d 31 31 2d 32 37 28 33 33 29 31 | 28)8-9-24(2,3)32)16-7-11-27(33)1 |
6a300 | 38 2d 31 32 2d 32 31 28 32 39 29 31 39 2d 31 33 2d 32 32 28 33 30 29 32 33 28 33 31 29 31 34 2d | 8-12-21(29)19-13-22(30)23(31)14- |
6a320 | 32 35 28 31 39 2c 34 29 31 37 28 31 38 29 36 2d 31 30 2d 32 36 28 31 36 2c 32 37 29 35 2f 68 31 | 25(19,4)17(18)6-10-26(16,27)5/h1 |
6a340 | 32 2c 31 35 2d 31 37 2c 31 39 2d 32 30 2c 32 32 2d 32 33 2c 32 38 2c 33 30 2d 33 33 48 2c 36 2d | 2,15-17,19-20,22-23,28,30-33H,6- |
6a360 | 31 31 2c 31 33 2d 31 34 48 32 2c 31 2d 35 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 c9 cf 65 | 11,13-14H2,1-5H3..updated_at...e |
6a380 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c7 cf 65 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at...eFP....defaul |
6a3a0 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 7f 01 00 00 07 5f 69 64 | t_fingerprint_size..........._id |
6a3c0 | 00 56 16 1e 28 2b 72 ed 2b 40 00 03 01 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..(+r.+@....warnings.......fin |
6a3e0 | 67 65 72 70 72 69 6e 74 73 00 bd 00 00 00 04 4d 50 32 44 00 b2 00 00 00 02 30 00 10 00 00 00 31 | gerprints......MP2D......0.....1 |
6a400 | 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 17 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | 5;1-1-1;2-1-1;..1.....1;1-1-1;1- |
6a420 | 31 2d 31 35 3b 32 2d 33 2d 31 35 3b 00 02 32 00 17 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 33 2d | 1-15;2-3-15;..2.....1;1-1-1;1-3- |
6a440 | 31 35 3b 32 2d 31 2d 31 35 3b 00 02 33 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 | 15;2-1-15;..3.....15;1-1-1;2-1-1 |
6a460 | 3b 32 2d 32 2d 31 35 3b 00 02 34 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 | ;2-2-15;..4.....15;1-1-1;2-1-1;2 |
6a480 | 2d 32 2d 31 35 3b 00 02 35 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 | -2-15;..5.....15;1-1-1;2-1-1;2-2 |
6a4a0 | 2d 31 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 0f 00 00 00 43 6c 43 43 28 43 6c 29 28 43 6c 29 43 | -15;....smiles.....ClCC(Cl)(Cl)C |
6a4c0 | 6c 00 02 69 6e 63 68 69 00 23 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 32 43 6c 34 2f 63 33 | l..inchi.#...InChI=1S/C2H2Cl4/c3 |
6a4e0 | 2d 31 2d 32 28 34 2c 35 29 36 2f 68 31 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 d5 cf 65 46 | -1-2(4,5)6/h1H2..updated_at...eF |
6a500 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d3 cf 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at...eFP....default |
6a520 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 5e 01 00 00 07 5f 69 64 00 | _fingerprint_size......^...._id. |
6a540 | 56 16 1e 28 2b 72 ed 2b 40 00 03 02 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..(+r.+@....warnings.......fing |
6a560 | 65 72 70 72 69 6e 74 73 00 9f 00 00 00 04 4d 50 32 44 00 94 00 00 00 02 30 00 10 00 00 00 31 35 | erprints......MP2D......0.....15 |
6a580 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 17 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | ;1-1-1;2-1-1;..1.....1;1-1-1;1-1 |
6a5a0 | 2d 31 35 3b 32 2d 32 2d 31 35 3b 00 02 32 00 17 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 31 | -15;2-2-15;..2.....1;1-1-1;1-2-1 |
6a5c0 | 35 3b 32 2d 31 2d 31 35 3b 00 02 33 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b | 5;2-1-15;..3.....15;1-1-1;2-1-1; |
6a5e0 | 32 2d 31 2d 31 35 3b 00 02 34 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d | 2-1-15;..4.....15;1-1-1;2-1-1;2- |
6a600 | 31 2d 31 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 0b 00 00 00 43 6c 43 43 28 43 6c 29 43 6c 00 02 | 1-15;....smiles.....ClCC(Cl)Cl.. |
6a620 | 69 6e 63 68 69 00 24 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 33 43 6c 33 2f 63 33 2d 31 2d | inchi.$...InChI=1S/C2H3Cl3/c3-1- |
6a640 | 32 28 34 29 35 2f 68 32 48 2c 31 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 dd cf 65 46 50 01 | 2(4)5/h2H,1H2..updated_at...eFP. |
6a660 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 dc cf 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at...eFP....default_f |
6a680 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 a7 01 00 00 07 5f 69 64 00 56 16 | ingerprint_size..........._id.V. |
6a6a0 | 1e 28 2b 72 ed 2b 40 00 03 03 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | .(+r.+@....warnings.......finger |
6a6c0 | 70 72 69 6e 74 73 00 dc 00 00 00 04 4d 50 32 44 00 d1 00 00 00 02 30 00 15 00 00 00 39 3b 31 2d | prints......MP2D......0.....9;1- |
6a6e0 | 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b | 1-1;2-1-1;2-1-9;..1.....1;1-1-1; |
6a700 | 31 2d 32 2d 39 3b 32 2d 33 2d 31 35 3b 00 02 32 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 33 | 1-2-9;2-3-15;..2.....1;1-1-1;1-3 |
6a720 | 2d 31 35 3b 32 2d 32 2d 39 3b 00 02 33 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 | -15;2-2-9;..3.....15;1-1-1;2-1-1 |
6a740 | 3b 32 2d 32 2d 31 35 3b 00 02 34 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 | ;2-2-15;..4.....15;1-1-1;2-1-1;2 |
6a760 | 2d 32 2d 31 35 3b 00 02 35 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 | -2-15;..5.....15;1-1-1;2-1-1;2-2 |
6a780 | 2d 31 35 3b 00 02 36 00 15 00 00 00 39 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b | -15;..6.....9;1-1-1;2-1-1;2-1-9; |
6a7a0 | 00 00 00 02 73 6d 69 6c 65 73 00 11 00 00 00 4f 43 28 43 28 43 6c 29 28 43 6c 29 43 6c 29 4f 00 | ....smiles.....OC(C(Cl)(Cl)Cl)O. |
6a7c0 | 02 69 6e 63 68 69 00 2a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 33 43 6c 33 4f 32 2f 63 33 | .inchi.*...InChI=1S/C2H3Cl3O2/c3 |
6a7e0 | 2d 32 28 34 2c 35 29 31 28 36 29 37 2f 68 31 2c 36 2d 37 48 00 09 75 70 64 61 74 65 64 5f 61 74 | -2(4,5)1(6)7/h1,6-7H..updated_at |
6a800 | 00 e3 cf 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e1 cf 65 46 50 01 00 00 10 64 65 | ...eFP....created_at...eFP....de |
6a820 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 30 01 00 00 | fault_fingerprint_size......0... |
6a840 | 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 03 04 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V..(+r.+@....warnings...... |
6a860 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 77 00 00 00 04 4d 50 32 44 00 6c 00 00 00 02 30 00 10 | .fingerprints.w....MP2D.l....0.. |
6a880 | 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d | ...15;1-1-1;2-1-2;..1.....1;1-1- |
6a8a0 | 32 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 39 3b 00 02 32 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 | 2;1-1-15;2-1-9;..2.....2;1-1-1;1 |
6a8c0 | 2d 31 2d 39 3b 32 2d 31 2d 31 35 3b 00 02 33 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d | -1-9;2-1-15;..3.....9;1-1-2;2-1- |
6a8e0 | 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 07 00 00 00 43 6c 43 43 3d 4f 00 02 69 6e 63 68 69 00 22 | 1;....smiles.....ClCC=O..inchi." |
6a900 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 33 43 6c 4f 2f 63 33 2d 31 2d 32 2d 34 2f 68 32 48 | ...InChI=1S/C2H3ClO/c3-1-2-4/h2H |
6a920 | 2c 31 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 e8 cf 65 46 50 01 00 00 09 63 72 65 61 74 65 | ,1H2..updated_at...eFP....create |
6a940 | 64 5f 61 74 00 e7 cf 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at...eFP....default_fingerprin |
6a960 | 74 5f 73 69 7a 65 00 00 00 00 00 00 85 01 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 03 | t_size..........._id.V..(+r.+@.. |
6a980 | 05 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b8 00 | ..warnings.......fingerprints... |
6a9a0 | 00 00 04 4d 50 32 44 00 ad 00 00 00 02 30 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 | ...MP2D......0.....9;1-1-2;2-1-6 |
6a9c0 | 3b 00 02 31 00 15 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 36 3b 00 02 32 | ;..1.....2;1-1-6;1-1-9;2-1-6;..2 |
6a9e0 | 00 1b 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 | .....6;1-1-2;1-1-6;2-1-2;2-1-9;. |
6aa00 | 02 33 00 1b 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 | .3.....6;1-1-2;1-1-6;2-1-2;2-1-9 |
6aa20 | 3b 00 02 34 00 15 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 36 3b 00 02 35 | ;..4.....2;1-1-6;1-1-9;2-1-6;..5 |
6aa40 | 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 09 00 | .....9;1-1-2;2-1-6;....smiles... |
6aa60 | 00 00 4f 43 3d 4e 4e 3d 43 4f 00 02 69 6e 63 68 69 00 34 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | ..OC=NN=CO..inchi.4...InChI=1S/C |
6aa80 | 32 48 34 4e 32 4f 32 2f 63 35 2d 31 2d 33 2d 34 2d 32 2d 36 2f 68 31 2d 32 48 2c 28 48 2c 33 2c | 2H4N2O2/c5-1-3-4-2-6/h1-2H,(H,3, |
6aaa0 | 35 29 28 48 2c 34 2c 36 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 f1 cf 65 46 50 01 00 00 09 63 | 5)(H,4,6)..updated_at...eFP....c |
6aac0 | 72 65 61 74 65 64 5f 61 74 00 f0 cf 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at...eFP....default_finge |
6aae0 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 31 01 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 | rprint_size......1...._id.V..(+r |
6ab00 | ed 2b 40 00 03 06 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .+@....warnings.......fingerprin |
6ab20 | 74 73 00 77 00 00 00 04 4d 50 32 44 00 6c 00 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b | ts.w....MP2D.l....0.....8;1-1-1; |
6ab40 | 32 2d 31 2d 31 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d | 2-1-1;..1.....1;1-1-1;1-1-8;2-1- |
6ab60 | 31 34 3b 00 02 32 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 34 3b 32 2d 31 2d 38 3b | 14;..2.....1;1-1-1;1-1-14;2-1-8; |
6ab80 | 00 02 33 00 10 00 00 00 31 34 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 | ..3.....14;1-1-1;2-1-1;....smile |
6aba0 | 73 00 06 00 00 00 4f 43 43 42 72 00 02 69 6e 63 68 69 00 24 00 00 00 49 6e 43 68 49 3d 31 53 2f | s.....OCCBr..inchi.$...InChI=1S/ |
6abc0 | 43 32 48 35 42 72 4f 2f 63 33 2d 31 2d 32 2d 34 2f 68 34 48 2c 31 2d 32 48 32 00 09 75 70 64 61 | C2H5BrO/c3-1-2-4/h4H,1-2H2..upda |
6abe0 | 74 65 64 5f 61 74 00 fd cf 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 fb cf 65 46 50 | ted_at...eFP....created_at...eFP |
6ac00 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
6ac20 | 00 00 0a 01 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 03 07 04 77 61 72 6e 69 6e 67 73 | ......._id.V..(+r.+@....warnings |
6ac40 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 55 00 00 00 04 4d 50 32 44 00 4a 00 | .......fingerprints.U....MP2D.J. |
6ac60 | 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 31 00 10 00 00 00 | ...0.....1;1-1-1;2-1-15;..1..... |
6ac80 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 00 02 32 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b | 1;1-1-1;1-1-15;..2.....15;1-1-1; |
6aca0 | 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 05 00 00 00 43 43 43 6c 00 02 69 6e 63 68 69 | 2-1-1;....smiles.....CCCl..inchi |
6acc0 | 00 20 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 35 43 6c 2f 63 31 2d 32 2d 33 2f 68 32 48 32 | .....InChI=1S/C2H5Cl/c1-2-3/h2H2 |
6ace0 | 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 02 d0 65 46 50 01 00 00 09 63 72 65 61 74 65 | ,1H3..updated_at...eFP....create |
6ad00 | 64 5f 61 74 00 01 d0 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at...eFP....default_fingerprin |
6ad20 | 74 5f 73 69 7a 65 00 00 00 00 00 00 22 01 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 03 | t_size......"...._id.V..(+r.+@.. |
6ad40 | 08 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 6a 00 | ..warnings.......fingerprints.j. |
6ad60 | 00 00 04 4d 50 32 44 00 5f 00 00 00 02 30 00 0f 00 00 00 35 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 | ...MP2D._....0.....5;1-2-1;2-2-1 |
6ad80 | 3b 00 02 31 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 | ;..1.....1;1-1-1;1-1-5;2-1-1;2-1 |
6ada0 | 2d 35 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 | -5;..2.....1;1-1-1;1-1-5;2-1-1;2 |
6adc0 | 2d 31 2d 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 06 00 00 00 4e 31 43 43 31 00 02 69 6e 63 68 69 | -1-5;....smiles.....N1CC1..inchi |
6ade0 | 00 22 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 35 4e 2f 63 31 2d 32 2d 33 2d 31 2f 68 33 48 | ."...InChI=1S/C2H5N/c1-2-3-1/h3H |
6ae00 | 2c 31 2d 32 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 08 d0 65 46 50 01 00 00 09 63 72 65 61 | ,1-2H2..updated_at...eFP....crea |
6ae20 | 74 65 64 5f 61 74 00 06 d0 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at...eFP....default_fingerpr |
6ae40 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 6b 01 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 | int_size......k...._id.V..(+r.+@ |
6ae60 | 00 03 09 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 | ....warnings.......fingerprints. |
6ae80 | a5 00 00 00 04 4d 50 32 44 00 9a 00 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 | .....MP2D......0.....1;1-1-2;2-1 |
6aea0 | 2d 36 3b 32 2d 31 2d 39 3b 00 02 31 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 | -6;2-1-9;..1.....2;1-1-1;1-1-6;1 |
6aec0 | 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 32 00 1c 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d | -1-9;2-1-19;..2.....6;1-1-2;1-1- |
6aee0 | 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 10 00 00 00 31 39 3b 31 2d 31 2d 36 3b | 19;2-1-1;2-1-9;..3.....19;1-1-6; |
6af00 | 32 2d 31 2d 32 3b 00 02 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d | 2-1-2;..4.....9;1-1-2;2-1-1;2-1- |
6af20 | 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 09 00 00 00 43 43 28 3d 4e 4e 29 4f 00 02 69 6e 63 68 69 | 6;....smiles.....CC(=NN)O..inchi |
6af40 | 00 2d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 36 4e 32 4f 2f 63 31 2d 32 28 35 29 34 2d 33 | .-...InChI=1S/C2H6N2O/c1-2(5)4-3 |
6af60 | 2f 68 33 48 32 2c 31 48 33 2c 28 48 2c 34 2c 35 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 19 d0 | /h3H2,1H3,(H,4,5)..updated_at... |
6af80 | 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 18 d0 65 46 50 01 00 00 10 64 65 66 61 75 | eFP....created_at...eFP....defau |
6afa0 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 68 01 00 00 07 5f 69 | lt_fingerprint_size......h...._i |
6afc0 | 64 00 56 16 1e 28 2b 72 ed 2b 40 00 03 0a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..(+r.+@....warnings.......fi |
6afe0 | 6e 67 65 72 70 72 69 6e 74 73 00 a7 00 00 00 04 4d 50 32 44 00 9c 00 00 00 02 30 00 16 00 00 00 | ngerprints......MP2D......0..... |
6b000 | 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 35 3b 00 02 31 00 1c 00 00 00 32 38 3b | 1;1-1-28;2-1-2;2-1-5;..1.....28; |
6b020 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 35 3b 32 2d 31 2d 39 3b 00 02 32 00 1c 00 00 00 | 1-1-1;1-1-2;1-1-5;2-1-9;..2..... |
6b040 | 32 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 33 00 10 | 2;1-1-9;1-1-28;2-1-1;2-1-5;..3.. |
6b060 | 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 02 34 00 16 00 00 00 35 3b 31 2d 31 2d | ...9;1-1-2;2-1-28;..4.....5;1-1- |
6b080 | 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 09 00 00 00 43 4e | 28;2-1-1;2-1-2;....smiles.....CN |
6b0a0 | 28 43 3d 4f 29 4e 00 02 69 6e 63 68 69 00 28 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 36 4e | (C=O)N..inchi.(...InChI=1S/C2H6N |
6b0c0 | 32 4f 2f 63 31 2d 34 28 33 29 32 2d 35 2f 68 32 48 2c 33 48 32 2c 31 48 33 00 09 75 70 64 61 74 | 2O/c1-4(3)2-5/h2H,3H2,1H3..updat |
6b0e0 | 65 64 5f 61 74 00 27 d0 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 25 d0 65 46 50 01 | ed_at.'.eFP....created_at.%.eFP. |
6b100 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
6b120 | 00 92 01 00 00 07 5f 69 64 00 56 16 1e 28 2b 72 ed 2b 40 00 03 0b 04 77 61 72 6e 69 6e 67 73 00 | ......_id.V..(+r.+@....warnings. |
6b140 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 d0 00 00 00 04 4d 50 32 44 00 c5 00 00 | ......fingerprints......MP2D.... |
6b160 | 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 30 3b 00 02 31 00 1c 00 00 00 38 | ..0.....1;1-1-8;2-1-30;..1.....8 |
6b180 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 31 3b 32 2d 32 2d 39 3b 00 02 32 00 1c 00 | ;1-1-1;1-1-30;2-1-1;2-2-9;..2... |
6b1a0 | 00 00 33 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d 31 2d 31 3b 00 02 33 | ..30;1-1-1;1-1-8;1-2-9;2-1-1;..3 |
6b1c0 | 00 1c 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b | .....9;1-1-30;2-1-1;2-1-8;2-1-9; |
6b1e0 | 00 02 34 00 1c 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 | ..4.....9;1-1-30;2-1-1;2-1-8;2-1 |
6b200 | 2d 39 3b 00 02 35 00 16 00 00 00 31 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b | -9;..5.....1;1-1-30;2-1-8;2-2-9; |
6b220 | 00 00 00 02 73 6d 69 6c 65 73 00 0d 00 00 00 43 4f 53 28 3d 4f 29 28 3d 4f 29 43 00 02 69 6e 63 | ....smiles.....COS(=O)(=O)C..inc |
6b240 | 68 69 00 25 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 36 4f 33 53 2f 63 31 2d 35 2d 36 28 32 | hi.%...InChI=1S/C2H6O3S/c1-5-6(2 |
6b260 | 2c 33 29 34 2f 68 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 2d d0 65 46 50 01 00 00 | ,3)4/h1-2H3..updated_at.-.eFP... |
6b280 | 09 63 72 65 61 74 65 64 5f 61 74 00 2b d0 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.+.eFP....default_fin |
6b2a0 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 30 01 00 00 07 5f 69 64 00 56 16 1e 29 | gerprint_size......0...._id.V..) |
6b2c0 | 2b 72 ed 2b 40 00 03 0c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.+@....warnings.......fingerpr |
6b2e0 | 69 6e 74 73 00 74 00 00 00 04 4d 50 32 44 00 69 00 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d | ints.t....MP2D.i....0.....1;1-1- |
6b300 | 31 3b 32 2d 31 2d 35 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d | 1;2-1-5;..1.....1;1-1-1;1-1-5;2- |
6b320 | 31 2d 35 3b 00 02 32 00 15 00 00 00 35 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b | 1-5;..2.....5;1-1-1;1-1-5;2-1-1; |
6b340 | 00 02 33 00 0f 00 00 00 35 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 | ..3.....5;1-1-5;2-1-1;....smiles |
6b360 | 00 05 00 00 00 43 43 4e 4e 00 02 69 6e 63 68 69 00 27 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 | .....CCNN..inchi.'...InChI=1S/C2 |
6b380 | 48 38 4e 32 2f 63 31 2d 32 2d 34 2d 33 2f 68 34 48 2c 32 2d 33 48 32 2c 31 48 33 00 09 75 70 64 | H8N2/c1-2-4-3/h4H,2-3H2,1H3..upd |
6b3a0 | 61 74 65 64 5f 61 74 00 32 d0 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 31 d0 65 46 | ated_at.2.eFP....created_at.1.eF |
6b3c0 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
6b3e0 | 00 00 00 2e 01 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 0d 04 77 61 72 6e 69 6e 67 | ........_id.V..)+r.+@....warning |
6b400 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 74 00 00 00 04 4d 50 32 44 00 69 | s.......fingerprints.t....MP2D.i |
6b420 | 00 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 35 3b 00 02 31 00 15 00 00 00 | ....0.....1;1-1-5;2-1-5;..1..... |
6b440 | 35 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 00 02 32 00 15 00 00 00 35 3b 31 2d | 5;1-1-1;1-1-5;2-1-1;..2.....5;1- |
6b460 | 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 00 02 33 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b | 1-1;1-1-5;2-1-1;..3.....1;1-1-5; |
6b480 | 32 2d 31 2d 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 05 00 00 00 43 4e 4e 43 00 02 69 6e 63 68 69 | 2-1-5;....smiles.....CNNC..inchi |
6b4a0 | 00 25 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 38 4e 32 2f 63 31 2d 33 2d 34 2d 32 2f 68 33 | .%...InChI=1S/C2H8N2/c1-3-4-2/h3 |
6b4c0 | 2d 34 48 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 38 d0 65 46 50 01 00 00 09 63 | -4H,1-2H3..updated_at.8.eFP....c |
6b4e0 | 72 65 61 74 65 64 5f 61 74 00 36 d0 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.6.eFP....default_finge |
6b500 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 2f 01 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 | rprint_size....../...._id.V..)+r |
6b520 | ed 2b 40 00 03 0e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .+@....warnings.......fingerprin |
6b540 | 74 73 00 74 00 00 00 04 4d 50 32 44 00 69 00 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 35 3b | ts.t....MP2D.i....0.....1;1-1-5; |
6b560 | 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 00 0f 00 00 00 35 3b 31 2d 32 2d 31 3b 31 2d 31 2d | 2-1-1;2-1-5;..1.....5;1-2-1;1-1- |
6b580 | 35 3b 00 02 32 00 0f 00 00 00 35 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 33 00 15 00 00 00 | 5;..2.....5;1-1-5;2-2-1;..3..... |
6b5a0 | 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 07 | 1;1-1-5;2-1-1;2-1-5;....smiles.. |
6b5c0 | 00 00 00 43 4e 28 4e 29 43 00 02 69 6e 63 68 69 00 24 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 | ...CN(N)C..inchi.$...InChI=1S/C2 |
6b5e0 | 48 38 4e 32 2f 63 31 2d 34 28 32 29 33 2f 68 33 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 | H8N2/c1-4(2)3/h3H2,1-2H3..update |
6b600 | 64 5f 61 74 00 3d d0 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 3c d0 65 46 50 01 00 | d_at.=.eFP....created_at.<.eFP.. |
6b620 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 | ..default_fingerprint_size...... |
6b640 | 54 01 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 0f 04 77 61 72 6e 69 6e 67 73 00 05 | T...._id.V..)+r.+@....warnings.. |
6b660 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 96 00 00 00 04 4d 50 32 44 00 8b 00 00 00 | .....fingerprints......MP2D..... |
6b680 | 02 30 00 0f 00 00 00 35 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 00 02 31 00 15 00 00 00 35 3b 31 | .0.....5;1-1-5;2-1-1;..1.....5;1 |
6b6a0 | 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 31 2d 31 | -1-1;1-1-5;2-1-1;..2.....1;1-1-1 |
6b6c0 | 3b 31 2d 31 2d 35 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b 00 02 33 00 15 00 00 00 31 3b 31 2d 31 | ;1-1-5;2-1-5;2-1-8;..3.....1;1-1 |
6b6e0 | 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 35 3b 00 02 34 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 | -1;1-1-8;2-1-5;..4.....8;1-1-1;2 |
6b700 | 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 06 00 00 00 4e 4e 43 43 4f 00 02 69 6e 63 68 69 | -1-1;....smiles.....NNCCO..inchi |
6b720 | 00 28 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 38 4e 32 4f 2f 63 33 2d 34 2d 31 2d 32 2d 35 | .(...InChI=1S/C2H8N2O/c3-4-1-2-5 |
6b740 | 2f 68 34 2d 35 48 2c 31 2d 33 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 43 d0 65 46 50 01 00 | /h4-5H,1-3H2..updated_at.C.eFP.. |
6b760 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 41 d0 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at.A.eFP....default_fi |
6b780 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 ae 01 00 00 07 5f 69 64 00 56 16 1e | ngerprint_size..........._id.V.. |
6b7a0 | 29 2b 72 ed 2b 40 00 03 10 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | )+r.+@....warnings.......fingerp |
6b7c0 | 72 69 6e 74 73 00 e2 00 00 00 04 4d 50 32 44 00 d7 00 00 00 02 30 00 17 00 00 00 33 32 3b 31 2d | rints......MP2D......0.....32;1- |
6b7e0 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 31 00 17 00 00 00 32 3b 31 2d 31 2d 31 | 1-2;2-1-1;2-1-32;..1.....2;1-1-1 |
6b800 | 3b 31 2d 32 2d 33 32 3b 32 2d 33 2d 31 35 3b 00 02 32 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b | ;1-2-32;2-3-15;..2.....32;1-1-2; |
6b820 | 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 33 00 17 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 33 | 2-1-1;2-1-32;..3.....1;1-1-2;1-3 |
6b840 | 2d 31 35 3b 32 2d 32 2d 33 32 3b 00 02 34 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d | -15;2-2-32;..4.....15;1-1-1;2-1- |
6b860 | 32 3b 32 2d 32 2d 31 35 3b 00 02 35 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b | 2;2-2-15;..5.....15;1-1-1;2-1-2; |
6b880 | 32 2d 32 2d 31 35 3b 00 02 36 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d | 2-2-15;..6.....15;1-1-1;2-1-2;2- |
6b8a0 | 32 2d 31 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 12 00 00 00 4f 43 28 3d 4f 29 43 28 43 6c 29 28 | 2-15;....smiles.....OC(=O)C(Cl)( |
6b8c0 | 43 6c 29 43 6c 00 02 69 6e 63 68 69 00 2a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 43 6c 33 | Cl)Cl..inchi.*...InChI=1S/C2HCl3 |
6b8e0 | 4f 32 2f 63 33 2d 32 28 34 2c 35 29 31 28 36 29 37 2f 68 28 48 2c 36 2c 37 29 00 09 75 70 64 61 | O2/c3-2(4,5)1(6)7/h(H,6,7)..upda |
6b900 | 74 65 64 5f 61 74 00 48 d0 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 47 d0 65 46 50 | ted_at.H.eFP....created_at.G.eFP |
6b920 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
6b940 | 00 00 a8 01 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 11 04 77 61 72 6e 69 6e 67 73 | ......._id.V..)+r.+@....warnings |
6b960 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 e2 00 00 00 04 4d 50 32 44 00 d7 00 | .......fingerprints......MP2D... |
6b980 | 00 00 02 30 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 00 | ...0.....15;1-1-1;2-1-1;2-1-15;. |
6b9a0 | 02 31 00 17 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 31 35 3b 32 2d 33 2d 31 35 3b 00 02 32 | .1.....1;1-1-1;1-2-15;2-3-15;..2 |
6b9c0 | 00 17 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 33 2d 31 35 3b 32 2d 32 2d 31 35 3b 00 02 33 00 17 | .....1;1-1-1;1-3-15;2-2-15;..3.. |
6b9e0 | 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 34 00 17 00 00 | ...15;1-1-1;2-1-1;2-2-15;..4.... |
6ba00 | 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 35 00 17 00 00 00 31 | .15;1-1-1;2-1-1;2-2-15;..5.....1 |
6ba20 | 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 36 00 17 00 00 00 31 35 3b | 5;1-1-1;2-1-1;2-2-15;..6.....15; |
6ba40 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 13 00 | 1-1-1;2-1-1;2-1-15;....smiles... |
6ba60 | 00 00 43 6c 43 28 43 28 43 6c 29 28 43 6c 29 43 6c 29 43 6c 00 02 69 6e 63 68 69 00 23 00 00 00 | ..ClC(C(Cl)(Cl)Cl)Cl..inchi.#... |
6ba80 | 49 6e 43 68 49 3d 31 53 2f 43 32 48 43 6c 35 2f 63 33 2d 31 28 34 29 32 28 35 2c 36 29 37 2f 68 | InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h |
6baa0 | 31 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 4e d0 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | 1H..updated_at.N.eFP....created_ |
6bac0 | 61 74 00 4d d0 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at.M.eFP....default_fingerprint_ |
6bae0 | 73 69 7a 65 00 00 00 00 00 00 b8 07 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 12 04 | size..........._id.V..)+r.+@.... |
6bb00 | 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 0c 06 00 00 | warnings.......fingerprints..... |
6bb20 | 04 4d 50 32 44 00 01 06 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 | .MP2D......0.....8;1-1-1;2-2-1;. |
6bb40 | 02 31 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 | .1.....1;1-2-1;1-1-8;2-3-1;2-1-2 |
6bb60 | 3b 00 02 32 00 27 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 33 | ;..2.'...1;1-2-1;1-1-2;2-2-1;2-3 |
6bb80 | 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 33 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 | -2;2-1-8;2-1-9;..3.!...2;1-1-1;1 |
6bba0 | 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 00 15 00 00 00 39 | -1-2;1-1-9;2-3-1;2-1-2;..4.....9 |
6bbc0 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 35 00 27 00 00 00 32 3b 31 2d 31 | ;1-1-2;2-1-1;2-1-2;..5.'...2;1-1 |
6bbe0 | 2d 31 3b 31 2d 32 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 | -1;1-2-2;2-3-1;2-1-2;2-1-3;2-2-9 |
6bc00 | 3b 00 02 36 00 27 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 31 | ;..6.'...2;1-1-2;1-1-3;1-1-9;2-1 |
6bc20 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 | -1;2-1-2;2-2-3;..7.....9;1-1-2;2 |
6bc40 | 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 38 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 | -1-2;2-1-3;..8.'...3;1-1-2;1-2-3 |
6bc60 | 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 39 00 2d 00 00 | ;2-2-2;2-2-3;2-1-8;2-1-9;..9.-.. |
6bc80 | 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 | .3;1-1-2;1-2-3;2-1-1;2-1-2;2-2-3 |
6bca0 | 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 30 00 27 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d | ;2-1-8;2-1-9;..10.'...2;1-1-1;1- |
6bcc0 | 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 31 | 1-3;1-1-9;2-2-1;2-1-2;2-2-3;..11 |
6bce0 | 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 32 00 27 00 | .....9;1-1-2;2-1-1;2-1-3;..12.'. |
6bd00 | 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 32 2d 32 3b 32 2d 33 2d 31 3b 32 2d 33 2d 32 3b 32 2d 31 2d | ..1;1-2-1;1-2-2;2-3-1;2-3-2;2-1- |
6bd20 | 33 3b 32 2d 31 2d 39 3b 00 02 31 33 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 34 2d 31 3b 32 | 3;2-1-9;..13.....1;1-3-1;2-4-1;2 |
6bd40 | 2d 32 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 34 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 34 2d | -2-2;2-1-8;..14.....1;1-3-1;2-4- |
6bd60 | 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 35 00 27 00 00 00 31 3b 31 2d 32 2d 31 3b 31 | 1;2-2-2;2-1-8;..15.'...1;1-2-1;1 |
6bd80 | 2d 32 2d 32 3b 32 2d 33 2d 31 3b 32 2d 33 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 | -2-2;2-3-1;2-3-2;2-1-3;2-1-9;..1 |
6bda0 | 36 00 27 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b | 6.'...2;1-1-1;1-2-2;2-3-1;2-1-2; |
6bdc0 | 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 37 00 27 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 | 2-1-3;2-2-9;..17.'...2;1-1-2;1-1 |
6bde0 | 2d 33 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 38 00 | -3;1-1-9;2-1-1;2-1-2;2-2-3;..18. |
6be00 | 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 39 00 27 00 00 | ....9;1-1-2;2-1-2;2-1-3;..19.'.. |
6be20 | 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 | .3;1-1-2;1-2-3;2-2-2;2-2-3;2-1-8 |
6be40 | 3b 32 2d 31 2d 39 3b 00 02 32 30 00 2d 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d | ;2-1-9;..20.-...3;1-1-2;1-2-3;2- |
6be60 | 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 31 | 1-1;2-1-2;2-2-3;2-1-8;2-1-9;..21 |
6be80 | 00 27 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 | .'...2;1-1-1;1-1-3;1-1-9;2-2-1;2 |
6bea0 | 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 32 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d | -1-2;2-2-3;..22.....9;1-1-2;2-1- |
6bec0 | 31 3b 32 2d 31 2d 33 3b 00 02 32 33 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 | 1;2-1-3;..23.!...3;1-2-3;1-1-8;2 |
6bee0 | 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 34 00 0f 00 00 00 38 3b 31 2d 31 2d | -1-1;2-1-2;2-2-3;..24.....8;1-1- |
6bf00 | 33 3b 32 2d 32 2d 33 3b 00 02 32 35 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 | 3;2-2-3;..25.....3;1-1-1;1-2-3;2 |
6bf20 | 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 36 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | -2-3;2-1-8;..26.....3;1-2-3;2-1- |
6bf40 | 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 37 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 1;2-2-3;2-1-8;..27.....3;1-2-3;1 |
6bf60 | 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 38 00 0f 00 00 00 38 3b 31 2d 31 2d | -1-8;2-1-2;2-2-3;..28.....8;1-1- |
6bf80 | 33 3b 32 2d 32 2d 33 3b 00 02 32 39 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | 3;2-2-3;..29.....1;1-1-3;2-2-3;. |
6bfa0 | 02 33 30 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 33 2d | .30.!...2;1-1-1;1-1-2;1-1-9;2-3- |
6bfc0 | 31 3b 32 2d 31 2d 32 3b 00 02 33 31 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 | 1;2-1-2;..31.....9;1-1-2;2-1-1;2 |
6bfe0 | 2d 31 2d 32 3b 00 02 33 32 00 27 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d | -1-2;..32.'...1;1-2-1;1-1-2;2-2- |
6c000 | 31 3b 32 2d 33 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 33 33 00 1b 00 00 00 31 3b 31 | 1;2-3-2;2-1-8;2-1-9;..33.....1;1 |
6c020 | 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 34 00 0f 00 00 00 | -2-1;1-1-8;2-3-1;2-1-2;..34..... |
6c040 | 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 35 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 8;1-1-1;2-2-1;..35.!...3;1-2-3;1 |
6c060 | 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 33 36 00 0f 00 00 00 | -1-8;2-1-1;2-1-2;2-2-3;..36..... |
6c080 | 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 33 37 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 | 8;1-1-3;2-2-3;..37.....3;1-1-1;1 |
6c0a0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 38 00 1b 00 00 00 33 3b 31 2d 32 2d | -2-3;2-2-3;2-1-8;..38.....3;1-2- |
6c0c0 | 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 39 00 1b 00 00 00 33 3b 31 | 3;2-1-1;2-2-3;2-1-8;..39.....3;1 |
6c0e0 | 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 30 00 0f 00 00 00 | -2-3;1-1-8;2-1-2;2-2-3;..40..... |
6c100 | 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 34 31 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 | 8;1-1-3;2-2-3;..41.....1;1-1-3;2 |
6c120 | 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 59 00 00 00 4f 43 31 43 32 43 28 3d 4f 29 43 33 | -2-3;....smiles.Y...OC1C2C(=O)C3 |
6c140 | 3d 43 28 4f 29 63 34 63 28 43 28 3d 4f 29 43 35 33 43 31 43 31 43 33 32 43 28 3d 43 28 4f 29 63 | =C(O)c4c(C(=O)C53C1C1C32C(=C(O)c |
6c160 | 32 63 28 43 33 3d 4f 29 63 28 4f 29 63 28 63 63 32 4f 29 43 29 43 28 3d 4f 29 43 35 43 31 4f 29 | 2c(C3=O)c(O)c(cc2O)C)C(=O)C5C1O) |
6c180 | 63 28 4f 29 63 28 63 63 34 4f 29 43 00 02 69 6e 63 68 69 00 c3 00 00 00 49 6e 43 68 49 3d 31 53 | c(O)c(cc4O)C..inchi.....InChI=1S |
6c1a0 | 2f 43 33 30 48 32 32 4f 31 32 2f 63 31 2d 35 2d 33 2d 37 28 33 31 29 39 2d 31 31 28 31 39 28 35 | /C30H22O12/c1-5-3-7(31)9-11(19(5 |
6c1c0 | 29 33 33 29 32 37 28 34 31 29 32 39 2d 31 33 2d 31 34 2d 32 34 28 33 38 29 31 37 28 32 39 29 32 | )33)27(41)29-13-14-24(38)17(29)2 |
6c1e0 | 36 28 34 30 29 31 36 2d 32 32 28 33 36 29 31 30 2d 38 28 33 32 29 34 2d 36 28 32 29 32 30 28 33 | 6(40)16-22(36)10-8(32)4-6(2)20(3 |
6c200 | 34 29 31 32 28 31 30 29 32 38 28 34 32 29 33 30 28 31 34 2c 31 36 29 31 38 28 32 33 28 31 33 29 | 4)12(10)28(42)30(14,16)18(23(13) |
6c220 | 33 37 29 32 35 28 33 39 29 31 35 28 32 39 29 32 31 28 39 29 33 35 2f 68 33 2d 34 2c 31 33 2d 31 | 37)25(39)15(29)21(9)35/h3-4,13-1 |
6c240 | 34 2c 31 37 2d 31 38 2c 32 33 2d 32 34 2c 33 31 2d 33 38 48 2c 31 2d 32 48 33 00 09 75 70 64 61 | 4,17-18,23-24,31-38H,1-2H3..upda |
6c260 | 74 65 64 5f 61 74 00 5a d0 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 58 d0 65 46 50 | ted_at.Z.eFP....created_at.X.eFP |
6c280 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
6c2a0 | 00 00 50 01 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 13 04 77 61 72 6e 69 6e 67 73 | ..P...._id.V..)+r.+@....warnings |
6c2c0 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 90 00 00 00 04 4d 50 32 44 00 85 00 | .......fingerprints......MP2D... |
6c2e0 | 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 | ...0.....1;1-1-1;2-1-1;..1.....1 |
6c300 | 3b 31 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | ;1-2-1;2-1-5;..2.....1;1-1-1;1-1 |
6c320 | 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 33 00 15 00 00 00 35 3b 31 2d 31 2d 31 3b 31 | -5;2-1-1;2-1-5;..3.....5;1-1-1;1 |
6c340 | 2d 31 2d 35 3b 32 2d 31 2d 31 3b 00 02 34 00 0f 00 00 00 35 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 | -1-5;2-1-1;..4.....5;1-1-5;2-1-1 |
6c360 | 3b 00 00 00 02 73 6d 69 6c 65 73 00 06 00 00 00 43 43 43 4e 4e 00 02 69 6e 63 68 69 00 2a 00 00 | ;....smiles.....CCCNN..inchi.*.. |
6c380 | 00 49 6e 43 68 49 3d 31 53 2f 43 33 48 31 30 4e 32 2f 63 31 2d 32 2d 33 2d 35 2d 34 2f 68 35 48 | .InChI=1S/C3H10N2/c1-2-3-5-4/h5H |
6c3a0 | 2c 32 2d 34 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 81 d0 65 46 50 01 00 00 09 | ,2-4H2,1H3..updated_at...eFP.... |
6c3c0 | 63 72 65 61 74 65 64 5f 61 74 00 7f d0 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at...eFP....default_fing |
6c3e0 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 31 01 00 00 07 5f 69 64 00 56 16 1e 29 2b | erprint_size......1...._id.V..)+ |
6c400 | 72 ed 2b 40 00 03 14 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.+@....warnings.......fingerpri |
6c420 | 6e 74 73 00 77 00 00 00 04 4d 50 32 44 00 6c 00 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 32 | nts.w....MP2D.l....0.....1;1-1-2 |
6c440 | 3b 32 2d 31 2d 32 3b 00 02 31 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 | ;2-1-2;..1.....2;1-1-1;1-1-2;2-1 |
6c460 | 2d 31 35 3b 00 02 32 00 16 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 | -15;..2.....2;1-1-2;1-1-15;2-1-1 |
6c480 | 3b 00 02 33 00 10 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c | ;..3.....15;1-1-2;2-1-2;....smil |
6c4a0 | 65 73 00 07 00 00 00 43 43 3d 43 43 6c 00 02 69 6e 63 68 69 00 23 00 00 00 49 6e 43 68 49 3d 31 | es.....CC=CCl..inchi.#...InChI=1 |
6c4c0 | 53 2f 43 33 48 35 43 6c 2f 63 31 2d 32 2d 33 2d 34 2f 68 32 2d 33 48 2c 31 48 33 00 09 75 70 64 | S/C3H5Cl/c1-2-3-4/h2-3H,1H3..upd |
6c4e0 | 61 74 65 64 5f 61 74 00 8e d0 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 8d d0 65 46 | ated_at...eFP....created_at...eF |
6c500 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
6c520 | 00 00 00 66 01 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 15 04 77 61 72 6e 69 6e 67 | ...f...._id.V..)+r.+@....warning |
6c540 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a6 00 00 00 04 4d 50 32 44 00 9b | s.......fingerprints......MP2D.. |
6c560 | 00 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 | ....0.....1;1-1-1;2-1-2;2-1-15;. |
6c580 | 02 31 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d | .1.....1;1-1-1;1-1-2;1-1-15;2-1- |
6c5a0 | 39 3b 00 02 32 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d | 9;..2.....2;1-1-1;1-1-9;2-1-1;2- |
6c5c0 | 31 2d 31 35 3b 00 02 33 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 00 02 34 00 16 | 1-15;..3.....9;1-1-2;2-1-1;..4.. |
6c5e0 | 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c | ...15;1-1-1;2-1-1;2-1-2;....smil |
6c600 | 65 73 00 0a 00 00 00 43 43 28 43 3d 4f 29 43 6c 00 02 69 6e 63 68 69 00 26 00 00 00 49 6e 43 68 | es.....CC(C=O)Cl..inchi.&...InCh |
6c620 | 49 3d 31 53 2f 43 33 48 35 43 6c 4f 2f 63 31 2d 33 28 34 29 32 2d 35 2f 68 32 2d 33 48 2c 31 48 | I=1S/C3H5ClO/c1-3(4)2-5/h2-3H,1H |
6c640 | 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 97 d0 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | 3..updated_at...eFP....created_a |
6c660 | 74 00 95 d0 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t...eFP....default_fingerprint_s |
6c680 | 69 7a 65 00 00 00 00 00 00 7c 01 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 16 04 77 | ize......|...._id.V..)+r.+@....w |
6c6a0 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b2 00 00 00 04 | arnings.......fingerprints...... |
6c6c0 | 4d 50 32 44 00 a7 00 00 00 02 30 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d | MP2D......0.....9;1-1-2;2-1-6;2- |
6c6e0 | 31 2d 39 3b 00 02 31 00 15 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 32 2d 39 3b 32 2d 31 2d 32 3b | 1-9;..1.....2;1-1-6;1-2-9;2-1-2; |
6c700 | 00 02 32 00 0f 00 00 00 36 3b 31 2d 31 2d 32 3b 32 2d 32 2d 39 3b 00 02 33 00 1b 00 00 00 39 3b | ..2.....6;1-1-2;2-2-9;..3.....9; |
6c720 | 31 2d 32 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 34 00 15 00 00 00 | 1-2-2;2-1-2;2-1-6;2-1-9;..4..... |
6c740 | 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 00 02 35 00 0f 00 00 00 32 3b 31 2d | 2;1-1-2;1-1-9;2-1-2;..5.....2;1- |
6c760 | 31 2d 32 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 0b 00 00 00 4f 43 28 3d 4e 29 4f | 1-2;2-1-9;....smiles.....OC(=N)O |
6c780 | 43 3d 43 00 02 69 6e 63 68 69 00 2f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 48 35 4e 4f 32 2f | C=C..inchi./...InChI=1S/C3H5NO2/ |
6c7a0 | 63 31 2d 32 2d 36 2d 33 28 34 29 35 2f 68 32 48 2c 31 48 32 2c 28 48 32 2c 34 2c 35 29 00 09 75 | c1-2-6-3(4)5/h2H,1H2,(H2,4,5)..u |
6c7c0 | 70 64 61 74 65 64 5f 61 74 00 9c d0 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 9b d0 | pdated_at...eFP....created_at... |
6c7e0 | 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | eFP....default_fingerprint_size. |
6c800 | 00 00 00 00 00 5f 01 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 17 04 77 61 72 6e 69 | ....._...._id.V..)+r.+@....warni |
6c820 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 9d 00 00 00 04 4d 50 32 44 | ngs.......fingerprints......MP2D |
6c840 | 00 92 00 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 1d | ......0.....15;1-1-1;2-1-1;..1.. |
6c860 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 00 | ...1;1-1-1;1-1-15;2-1-1;2-1-15;. |
6c880 | 02 32 00 17 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 35 3b 00 02 33 | .2.....1;1-2-1;1-1-15;2-1-15;..3 |
6c8a0 | 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 34 00 16 00 00 00 31 3b 31 2d | .....15;1-1-1;2-2-1;..4.....1;1- |
6c8c0 | 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 0a 00 00 00 | 1-1;2-1-1;2-1-15;....smiles..... |
6c8e0 | 43 6c 43 43 28 43 6c 29 43 00 02 69 6e 63 68 69 00 28 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 | ClCC(Cl)C..inchi.(...InChI=1S/C3 |
6c900 | 48 36 43 6c 32 2f 63 31 2d 33 28 35 29 32 2d 34 2f 68 33 48 2c 32 48 32 2c 31 48 33 00 09 75 70 | H6Cl2/c1-3(5)2-4/h3H,2H2,1H3..up |
6c920 | 64 61 74 65 64 5f 61 74 00 a2 d0 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a0 d0 65 | dated_at...eFP....created_at...e |
6c940 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
6c960 | 00 00 00 00 55 02 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 18 04 77 61 72 6e 69 6e | ....U...._id.V..)+r.+@....warnin |
6c980 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 72 01 00 00 04 4d 50 32 44 00 | gs.......fingerprints.r....MP2D. |
6c9a0 | 67 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 00 17 00 | g....0.....1;1-1-1;2-1-19;..1... |
6c9c0 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 33 3b 00 02 32 00 1e 00 00 00 | ..1;1-1-1;1-1-19;2-1-33;..2..... |
6c9e0 | 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 39 3b 00 02 33 | 19;1-1-1;1-1-33;2-1-1;2-2-19;..3 |
6ca00 | 00 1e 00 00 00 33 33 3b 31 2d 33 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 | .....33;1-3-19;2-1-1;2-1-6;2-1-1 |
6ca20 | 39 3b 00 02 34 00 12 00 00 00 31 39 3b 31 2d 31 2d 33 33 3b 32 2d 32 2d 31 39 3b 00 02 35 00 25 | 9;..4.....19;1-1-33;2-2-19;..5.% |
6ca40 | 00 00 00 31 39 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 39 3b 31 2d 31 2d 33 33 3b 32 2d 33 2d 39 3b | ...19;1-1-6;1-1-19;1-1-33;2-3-9; |
6ca60 | 32 2d 32 2d 31 39 3b 00 02 36 00 1e 00 00 00 31 39 3b 31 2d 32 2d 39 3b 31 2d 31 2d 31 39 3b 32 | 2-2-19;..6.....19;1-2-9;1-1-19;2 |
6ca80 | 2d 31 2d 36 3b 32 2d 31 2d 33 33 3b 00 02 37 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 | -1-6;2-1-33;..7.....9;1-1-19;2-1 |
6caa0 | 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 38 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 39 | -9;2-1-19;..8.....9;1-1-19;2-1-9 |
6cac0 | 3b 32 2d 31 2d 31 39 3b 00 02 39 00 1e 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 | ;2-1-19;..9.....6;1-1-9;1-1-19;2 |
6cae0 | 2d 31 2d 31 39 3b 32 2d 31 2d 33 33 3b 00 02 31 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d | -1-19;2-1-33;..10.....9;1-1-6;2- |
6cb00 | 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 16 00 00 00 43 43 4e 43 28 3d 4e 29 4e 28 4e 28 | 1-19;....smiles.....CCNC(=N)N(N( |
6cb20 | 3d 4f 29 3d 4f 29 4e 3d 4f 00 02 69 6e 63 68 69 00 3d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 | =O)=O)N=O..inchi.=...InChI=1S/C3 |
6cb40 | 48 37 4e 35 4f 33 2f 63 31 2d 32 2d 35 2d 33 28 34 29 37 28 36 2d 39 29 38 28 31 30 29 31 31 2f | H7N5O3/c1-2-5-3(4)7(6-9)8(10)11/ |
6cb60 | 68 32 48 32 2c 31 48 33 2c 28 48 32 2c 34 2c 35 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 b3 d0 | h2H2,1H3,(H2,4,5)..updated_at... |
6cb80 | 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 b2 d0 65 46 50 01 00 00 10 64 65 66 61 75 | eFP....created_at...eFP....defau |
6cba0 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 56 01 00 00 07 5f 69 | lt_fingerprint_size......V...._i |
6cbc0 | 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 19 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..)+r.+@....warnings.......fi |
6cbe0 | 6e 67 65 72 70 72 69 6e 74 73 00 96 00 00 00 04 4d 50 32 44 00 8b 00 00 00 02 30 00 0f 00 00 00 | ngerprints......MP2D......0..... |
6cc00 | 35 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 00 02 31 00 15 00 00 00 35 3b 31 2d 31 2d 31 3b 31 2d | 5;1-1-5;2-1-1;..1.....5;1-1-1;1- |
6cc20 | 31 2d 35 3b 32 2d 31 2d 32 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 35 3b | 1-5;2-1-2;..2.....1;1-1-2;1-1-5; |
6cc40 | 32 2d 31 2d 32 3b 32 2d 31 2d 35 3b 00 02 33 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 2-1-2;2-1-5;..3.....2;1-1-1;1-1- |
6cc60 | 32 3b 32 2d 31 2d 35 3b 00 02 34 00 0f 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 00 00 | 2;2-1-5;..4.....2;1-1-2;2-1-1;.. |
6cc80 | 00 02 73 6d 69 6c 65 73 00 07 00 00 00 4e 4e 43 43 3d 43 00 02 69 6e 63 68 69 00 29 00 00 00 49 | ..smiles.....NNCC=C..inchi.)...I |
6cca0 | 6e 43 68 49 3d 31 53 2f 43 33 48 38 4e 32 2f 63 31 2d 32 2d 33 2d 35 2d 34 2f 68 32 2c 35 48 2c | nChI=1S/C3H8N2/c1-2-3-5-4/h2,5H, |
6ccc0 | 31 2c 33 2d 34 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 bc d0 65 46 50 01 00 00 09 63 72 65 | 1,3-4H2..updated_at...eFP....cre |
6cce0 | 61 74 65 64 5f 61 74 00 ba d0 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at...eFP....default_fingerp |
6cd00 | 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 90 01 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b | rint_size..........._id.V..)+r.+ |
6cd20 | 40 00 03 1a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 | @....warnings.......fingerprints |
6cd40 | 00 ca 00 00 00 04 4d 50 32 44 00 bf 00 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d | ......MP2D......0.....1;1-1-1;2- |
6cd60 | 31 2d 32 38 3b 00 02 31 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d | 1-28;..1.....1;1-1-1;1-1-28;2-1- |
6cd80 | 32 3b 32 2d 31 2d 35 3b 00 02 32 00 22 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 | 2;2-1-5;..2."...28;1-1-1;1-1-2;1 |
6cda0 | 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 1c 00 00 00 32 3b 31 2d 31 2d 39 | -1-5;2-1-1;2-1-9;..3.....2;1-1-9 |
6cdc0 | 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 34 00 10 00 00 00 39 3b 31 2d | ;1-1-28;2-1-1;2-1-5;..4.....9;1- |
6cde0 | 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 02 35 00 16 00 00 00 35 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d | 1-2;2-1-28;..5.....5;1-1-28;2-1- |
6ce00 | 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 0a 00 00 00 43 43 4e 28 43 3d 4f 29 4e | 1;2-1-2;....smiles.....CCN(C=O)N |
6ce20 | 00 02 69 6e 63 68 69 00 2c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 48 38 4e 32 4f 2f 63 31 2d | ..inchi.,...InChI=1S/C3H8N2O/c1- |
6ce40 | 32 2d 35 28 34 29 33 2d 36 2f 68 33 48 2c 32 2c 34 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 | 2-5(4)3-6/h3H,2,4H2,1H3..updated |
6ce60 | 5f 61 74 00 c2 d0 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c1 d0 65 46 50 01 00 00 | _at...eFP....created_at...eFP... |
6ce80 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 b9 | .default_fingerprint_size....... |
6cea0 | 01 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 1b 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..)+r.+@....warnings... |
6cec0 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 f2 00 00 00 04 4d 50 32 44 00 e7 00 00 00 02 | ....fingerprints......MP2D...... |
6cee0 | 30 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 00 1c 00 00 00 38 3b 31 | 0.....1;1-1-8;2-1-12;..1.....8;1 |
6cf00 | 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 00 16 00 00 00 | -1-1;1-1-12;2-2-8;2-1-9;..2..... |
6cf20 | 31 32 3b 31 2d 33 2d 38 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b 00 02 33 00 10 00 00 00 39 3b 31 | 12;1-3-8;1-1-9;2-3-1;..3.....9;1 |
6cf40 | 2d 31 2d 31 32 3b 32 2d 33 2d 38 3b 00 02 34 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -1-12;2-3-8;..4.....8;1-1-1;1-1- |
6cf60 | 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 | 12;2-2-8;2-1-9;..5.....1;1-1-8;2 |
6cf80 | 2d 31 2d 31 32 3b 00 02 36 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 | -1-12;..6.....8;1-1-1;1-1-12;2-2 |
6cfa0 | 2d 38 3b 32 2d 31 2d 39 3b 00 02 37 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b | -8;2-1-9;..7.....1;1-1-8;2-1-12; |
6cfc0 | 00 00 00 02 73 6d 69 6c 65 73 00 0e 00 00 00 43 4f 50 28 3d 4f 29 28 4f 43 29 4f 43 00 02 69 6e | ....smiles.....COP(=O)(OC)OC..in |
6cfe0 | 63 68 69 00 29 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 48 39 4f 34 50 2f 63 31 2d 35 2d 38 28 | chi.)...InChI=1S/C3H9O4P/c1-5-8( |
6d000 | 34 2c 36 2d 32 29 37 2d 33 2f 68 31 2d 33 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 c9 d0 65 | 4,6-2)7-3/h1-3H3..updated_at...e |
6d020 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c7 d0 65 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at...eFP....defaul |
6d040 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 5c 08 00 00 07 5f 69 64 | t_fingerprint_size......\...._id |
6d060 | 00 56 16 1e 29 2b 72 ed 2b 40 00 03 1c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..)+r.+@....warnings.......fin |
6d080 | 67 65 72 70 72 69 6e 74 73 00 90 06 00 00 04 4d 50 32 44 00 85 06 00 00 02 30 00 10 00 00 00 31 | gerprints......MP2D......0.....1 |
6d0a0 | 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 17 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | 5;1-1-1;2-1-1;..1.....1;1-1-1;1- |
6d0c0 | 31 2d 31 35 3b 32 2d 31 2d 31 39 3b 00 02 32 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 1-15;2-1-19;..2.#...1;1-1-1;1-1- |
6d0e0 | 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 33 00 1c 00 00 00 31 39 | 19;2-1-1;2-1-3;2-1-15;..3.....19 |
6d100 | 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 1c 00 00 | ;1-2-1;1-1-3;2-2-1;2-2-3;..4.... |
6d120 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 | .3;1-2-3;1-1-19;2-2-1;2-2-3;..5. |
6d140 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 36 00 15 00 00 | ....3;1-2-3;2-2-3;2-1-19;..6.... |
6d160 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 1b 00 00 00 33 3b 31 | .3;1-2-3;2-1-1;2-2-3;..7.....3;1 |
6d180 | 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 33 | -1-1;1-2-3;2-1-2;2-2-3;..8.....3 |
6d1a0 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 32 | ;1-2-3;2-1-1;2-2-3;..9.....3;1-2 |
6d1c0 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 21 00 00 00 31 3b 31 2d 31 2d 32 | -3;2-2-3;2-1-19;..10.!...1;1-1-2 |
6d1e0 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 31 00 1b 00 | ;1-1-3;2-2-3;2-1-8;2-1-9;..11... |
6d200 | 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 00 02 31 32 | ..2;1-1-1;1-1-8;1-1-9;2-2-3;..12 |
6d220 | 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 33 00 21 00 | .....9;1-1-2;2-1-1;2-1-8;..13.!. |
6d240 | 00 00 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d | ..8;1-1-2;1-1-3;2-1-1;2-2-3;2-1- |
6d260 | 39 3b 00 02 31 34 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 | 9;..14.....3;1-2-3;1-1-8;2-1-2;2 |
6d280 | 2d 32 2d 33 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | -2-3;..15.....3;1-2-3;2-2-3;2-1- |
6d2a0 | 38 3b 00 02 31 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | 8;..16.....3;1-2-3;2-1-1;2-2-3;. |
6d2c0 | 02 31 37 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 31 3b 32 2d 32 2d | .17.....3;1-1-1;1-2-3;2-3-1;2-2- |
6d2e0 | 33 3b 00 02 31 38 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 | 3;..18.....3;1-1-1;1-2-3;2-2-1;2 |
6d300 | 2d 32 2d 33 3b 00 02 31 39 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | -2-3;..19.....3;1-2-3;2-1-1;2-2- |
6d320 | 33 3b 32 2d 31 2d 38 3b 00 02 32 30 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 | 3;2-1-8;..20.....1;1-1-1;1-1-3;2 |
6d340 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d | -1-1;2-2-3;..21.....1;1-2-1;2-2- |
6d360 | 31 3b 32 2d 31 2d 33 3b 00 02 32 32 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 34 2d 31 3b 32 | 1;2-1-3;..22.....1;1-3-1;2-4-1;2 |
6d380 | 2d 31 2d 33 3b 00 02 32 33 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 33 2d | -1-3;..23.....1;1-2-1;1-1-3;2-3- |
6d3a0 | 31 3b 32 2d 32 2d 33 3b 00 02 32 34 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 | 1;2-2-3;..24.....1;1-2-1;2-2-1;2 |
6d3c0 | 2d 31 2d 33 3b 00 02 32 35 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b 00 02 32 36 | -1-3;..25.....1;1-2-1;2-4-1;..26 |
6d3e0 | 00 15 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 37 00 0f 00 | .....1;1-4-1;2-4-1;2-1-8;..27... |
6d400 | 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 36 2d 31 3b 00 02 32 38 00 0f 00 00 00 31 3b 31 2d 32 2d 31 | ..1;1-3-1;2-6-1;..28.....1;1-2-1 |
6d420 | 3b 32 2d 33 2d 31 3b 00 02 32 39 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d | ;2-3-1;..29.....1;1-2-1;2-2-1;2- |
6d440 | 31 2d 38 3b 00 02 33 30 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 34 2d 31 | 1-8;..30.....1;1-2-1;1-1-8;2-4-1 |
6d460 | 3b 32 2d 31 2d 32 3b 00 02 33 31 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d | ;2-1-2;..31.....8;1-1-1;1-1-2;2- |
6d480 | 33 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 32 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 | 3-1;2-1-9;..32.!...2;1-1-1;1-1-8 |
6d4a0 | 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 33 00 15 00 00 00 39 3b 31 2d | ;1-1-9;2-1-1;2-1-3;..33.....9;1- |
6d4c0 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 34 00 21 00 00 00 31 3b 31 2d 31 2d 32 | 1-2;2-1-1;2-1-8;..34.!...1;1-1-2 |
6d4e0 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 33 35 00 1b 00 | ;1-1-3;2-2-3;2-1-8;2-1-9;..35... |
6d500 | 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 33 36 | ..3;1-1-1;1-2-3;2-1-2;2-2-3;..36 |
6d520 | 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 37 00 16 00 | .....3;1-2-3;2-1-1;2-2-3;..37... |
6d540 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 38 00 1c 00 00 00 | ..3;1-2-3;2-2-3;2-1-19;..38..... |
6d560 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 39 00 | 3;1-2-3;1-1-19;2-2-1;2-2-3;..39. |
6d580 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 34 30 00 15 00 | ....3;1-2-3;2-2-3;2-1-19;..40... |
6d5a0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 31 00 1c 00 00 00 31 | ..3;1-2-3;2-1-1;2-2-3;..41.....1 |
6d5c0 | 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 32 00 23 | 9;1-2-1;1-1-3;2-2-1;2-2-3;..42.# |
6d5e0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d | ...1;1-1-1;1-1-19;2-1-1;2-1-3;2- |
6d600 | 31 2d 31 35 3b 00 02 34 33 00 17 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 | 1-15;..43.....1;1-1-1;1-1-15;2-1 |
6d620 | 2d 31 39 3b 00 02 34 34 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 34 35 | -19;..44.....15;1-1-1;2-1-1;..45 |
6d640 | 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b | .#...1;1-1-1;1-1-19;2-1-1;2-1-3; |
6d660 | 32 2d 31 2d 31 35 3b 00 02 34 36 00 17 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 | 2-1-15;..46.....1;1-1-1;1-1-15;2 |
6d680 | 2d 31 2d 31 39 3b 00 02 34 37 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 | -1-19;..47.....15;1-1-1;2-1-1;.. |
6d6a0 | 34 38 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 34 39 00 23 00 00 00 31 3b | 48.....1;1-1-1;2-3-1;..49.#...1; |
6d6c0 | 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 35 3b | 1-1-1;1-1-19;2-1-1;2-1-3;2-1-15; |
6d6e0 | 00 02 35 30 00 17 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 39 3b 00 | ..50.....1;1-1-1;1-1-15;2-1-19;. |
6d700 | 02 35 31 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 | .51.....15;1-1-1;2-1-1;....smile |
6d720 | 73 00 57 00 00 00 43 6c 43 43 4e 28 63 31 63 63 63 28 63 63 31 29 43 43 28 3d 4f 29 4f 63 31 63 | s.W...ClCCN(c1ccc(cc1)CC(=O)Oc1c |
6d740 | 63 63 32 63 28 63 31 29 43 43 43 31 43 32 43 43 43 32 28 43 31 43 43 43 32 4f 43 28 3d 4f 29 43 | cc2c(c1)CCC1C2CCC2(C1CCC2OC(=O)C |
6d760 | 63 31 63 63 63 28 63 63 31 29 4e 28 43 43 43 6c 29 43 43 43 6c 29 43 29 43 43 43 6c 00 02 69 6e | c1ccc(cc1)N(CCCl)CCCl)C)CCCl..in |
6d780 | 63 68 69 00 e5 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 32 48 35 30 43 6c 34 4e 32 4f 34 2f 63 | chi.....InChI=1S/C42H50Cl4N2O4/c |
6d7a0 | 31 2d 34 32 2d 31 37 2d 31 36 2d 33 36 2d 33 35 2d 31 33 2d 31 31 2d 33 34 28 35 31 2d 34 30 28 | 1-42-17-16-36-35-13-11-34(51-40( |
6d7c0 | 34 39 29 32 36 2d 32 39 2d 32 2d 37 2d 33 32 28 38 2d 33 2d 32 39 29 34 37 28 32 32 2d 31 38 2d | 49)26-29-2-7-32(8-3-29)47(22-18- |
6d7e0 | 34 33 29 32 33 2d 31 39 2d 34 34 29 32 38 2d 33 31 28 33 35 29 36 2d 31 32 2d 33 37 28 33 36 29 | 43)23-19-44)28-31(35)6-12-37(36) |
6d800 | 33 38 28 34 32 29 31 34 2d 31 35 2d 33 39 28 34 32 29 35 32 2d 34 31 28 35 30 29 32 37 2d 33 30 | 38(42)14-15-39(42)52-41(50)27-30 |
6d820 | 2d 34 2d 39 2d 33 33 28 31 30 2d 35 2d 33 30 29 34 38 28 32 34 2d 32 30 2d 34 35 29 32 35 2d 32 | -4-9-33(10-5-30)48(24-20-45)25-2 |
6d840 | 31 2d 34 36 2f 68 32 2d 35 2c 37 2d 31 31 2c 31 33 2c 32 38 2c 33 36 2d 33 39 48 2c 36 2c 31 32 | 1-46/h2-5,7-11,13,28,36-39H,6,12 |
6d860 | 2c 31 34 2d 32 37 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 d5 d0 65 46 50 01 00 | ,14-27H2,1H3..updated_at...eFP.. |
6d880 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 d3 d0 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at...eFP....default_fi |
6d8a0 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 06 0a 00 00 07 5f 69 64 00 56 16 1e | ngerprint_size..........._id.V.. |
6d8c0 | 29 2b 72 ed 2b 40 00 03 1d 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | )+r.+@....warnings.......fingerp |
6d8e0 | 72 69 6e 74 73 00 f3 07 00 00 04 4d 50 32 44 00 e8 07 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 | rints......MP2D......0.....1;1-1 |
6d900 | 2d 38 3b 32 2d 31 2d 31 3b 00 02 31 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 | -8;2-1-1;..1.....8;1-2-1;2-1-1;2 |
6d920 | 2d 31 2d 32 3b 00 02 32 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 | -1-2;..2.!...1;1-1-1;1-1-2;1-1-8 |
6d940 | 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 | ;2-3-1;2-1-2;..3.!...2;1-1-1;1-1 |
6d960 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 34 00 15 00 00 00 32 3b 31 | -2;2-1-1;2-1-8;2-1-9;..4.....2;1 |
6d980 | 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 00 02 35 00 21 00 00 00 39 3b 31 2d 31 2d 31 | -1-2;1-1-9;2-2-1;..5.!...9;1-1-1 |
6d9a0 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 38 3b 00 02 36 00 2d 00 00 | ;1-1-2;2-1-1;2-2-2;2-1-8;..6.-.. |
6d9c0 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 | .1;1-1-1;1-1-2;1-1-8;1-1-9;2-1-2 |
6d9e0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 37 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 | ;2-2-3;2-1-9;..7.....1;1-1-1;2-1 |
6da00 | 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 38 00 27 00 00 00 38 3b 31 2d 31 2d 31 3b 31 | -2;2-1-8;2-1-9;..8.'...8;1-1-1;1 |
6da20 | 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 39 | -1-3;2-1-1;2-1-2;2-2-3;2-1-9;..9 |
6da40 | 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 | .!...3;1-2-3;1-1-8;2-2-1;2-1-2;2 |
6da60 | 2d 32 2d 33 3b 00 02 31 30 00 2d 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d | -2-3;..10.-...3;1-1-2;1-2-3;2-1- |
6da80 | 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 31 00 2d | 1;2-1-2;2-2-3;2-1-8;2-1-9;..11.- |
6daa0 | 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 | ...2;1-1-1;1-1-3;1-1-9;2-1-1;2-2 |
6dac0 | 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 32 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b | -3;2-1-8;2-1-9;..12.....9;1-1-2; |
6dae0 | 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 33 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 | 2-1-1;2-1-3;..13.!...3;1-1-2;1-2 |
6db00 | 2d 33 3b 32 2d 33 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 34 00 21 00 00 00 32 3b | -3;2-3-2;2-2-3;2-1-9;..14.!...2; |
6db20 | 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 00 02 | 1-1-2;1-1-3;1-1-9;2-2-2;2-2-3;.. |
6db40 | 31 35 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 36 00 | 15.....9;1-1-2;2-1-2;2-1-3;..16. |
6db60 | 28 00 00 00 32 3b 31 2d 33 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d | (...2;1-3-2;2-1-2;2-1-3;2-1-6;2- |
6db80 | 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 37 00 1c 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d | 1-9;2-1-19;..17.....2;1-1-2;1-1- |
6dba0 | 31 39 3b 32 2d 32 2d 32 3b 32 2d 31 2d 35 3b 00 02 31 38 00 1c 00 00 00 31 39 3b 31 2d 31 2d 32 | 19;2-2-2;2-1-5;..18.....19;1-1-2 |
6dbc0 | 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 39 00 1c 00 00 00 35 3b 31 2d | ;1-1-5;2-2-1;2-1-2;..19.....5;1- |
6dbe0 | 32 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 30 00 22 00 00 00 | 2-1;1-1-19;2-2-1;2-1-2;..20."... |
6dc00 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 31 39 | 1;1-1-1;1-1-5;2-1-1;2-1-5;2-1-19 |
6dc20 | 3b 00 02 32 31 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d | ;..21.....1;1-1-1;1-1-5;2-2-1;2- |
6dc40 | 31 2d 35 3b 00 02 32 32 00 0f 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 33 00 | 1-5;..22.....5;1-3-1;2-2-1;..23. |
6dc60 | 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 | ....1;1-1-1;1-1-5;2-2-1;2-1-5;.. |
6dc80 | 32 34 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 | 24."...1;1-1-1;1-1-5;2-1-1;2-1-5 |
6dca0 | 3b 32 2d 31 2d 31 39 3b 00 02 32 35 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 | ;2-1-19;..25.....1;1-1-5;2-2-1;. |
6dcc0 | 02 32 36 00 21 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 36 3b 32 2d 33 2d 32 3b 32 2d 31 2d | .26.!...2;1-2-2;1-1-6;2-3-2;2-1- |
6dce0 | 33 3b 32 2d 31 2d 39 3b 00 02 32 37 00 27 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 | 3;2-1-9;..27.'...2;1-1-2;1-1-3;1 |
6dd00 | 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 32 38 00 27 00 00 00 | -1-9;2-1-2;2-2-3;2-1-6;..28.'... |
6dd20 | 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b | 3;1-1-2;1-2-3;2-2-2;2-2-3;2-1-8; |
6dd40 | 32 2d 31 2d 39 3b 00 02 32 39 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 | 2-1-9;..29.!...3;1-2-3;1-1-8;2-1 |
6dd60 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 33 30 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b | -1;2-1-2;2-2-3;..30.....3;1-1-1; |
6dd80 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b 00 02 33 31 00 0f 00 00 00 31 3b 31 2d 31 | 1-2-3;2-2-3;2-2-8;..31.....1;1-1 |
6dda0 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 33 32 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b | -3;2-2-3;..32.....8;1-1-3;2-2-3; |
6ddc0 | 00 02 33 33 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 33 | ..33.....9;1-1-2;2-1-2;2-1-3;..3 |
6dde0 | 34 00 15 00 00 00 36 3b 31 2d 32 2d 32 3b 32 2d 33 2d 32 3b 32 2d 31 2d 39 3b 00 02 33 35 00 21 | 4.....6;1-2-2;2-3-2;2-1-9;..35.! |
6de00 | 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 | ...2;1-1-2;1-1-6;1-1-9;2-1-1;2-2 |
6de20 | 2d 32 3b 00 02 33 36 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 31 2d 32 3b | -2;..36.!...2;1-1-1;1-2-2;2-1-2; |
6de40 | 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 33 37 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 | 2-1-6;2-1-9;..37.....2;1-2-2;2-1 |
6de60 | 2d 31 3b 32 2d 32 2d 32 3b 00 02 33 38 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b | -1;2-2-2;..38.....2;1-2-2;2-1-1; |
6de80 | 32 2d 31 2d 32 3b 00 02 33 39 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 | 2-1-2;..39.....2;1-1-1;1-1-2;2-2 |
6dea0 | 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 30 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b | -1;2-1-2;..40.!...1;1-2-1;1-1-2; |
6dec0 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 34 31 00 1b 00 00 00 31 3b 31 2d 32 | 2-1-1;2-1-2;2-1-8;..41.....1;1-2 |
6dee0 | 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 32 00 15 00 00 00 31 3b | -1;1-1-8;2-3-1;2-1-2;..42.....1; |
6df00 | 31 2d 33 2d 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 34 33 00 15 00 00 00 31 3b 31 2d 32 | 1-3-1;2-2-1;2-2-8;..43.....1;1-2 |
6df20 | 2d 31 3b 31 2d 31 2d 38 3b 32 2d 34 2d 31 3b 00 02 34 34 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b | -1;1-1-8;2-4-1;..44.....1;1-3-1; |
6df40 | 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 34 35 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 | 2-2-1;2-2-8;..45.....1;1-2-1;1-1 |
6df60 | 2d 38 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 36 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b | -8;2-4-1;2-1-2;..46.....1;1-3-1; |
6df80 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 38 3b 00 02 34 37 00 0f 00 00 00 31 3b 31 2d 31 | 2-1-1;2-1-2;2-2-8;..47.....1;1-1 |
6dfa0 | 2d 31 3b 32 2d 32 2d 31 3b 00 02 34 38 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | -1;2-2-1;..48.....8;1-1-1;1-1-2; |
6dfc0 | 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b 00 02 34 39 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-3-1;2-1-9;..49.....2;1-1-1;1-1 |
6dfe0 | 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 00 02 35 30 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b | -8;1-1-9;2-1-1;..50.....9;1-1-2; |
6e000 | 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 31 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 | 2-1-1;2-1-8;..51.....1;1-1-2;2-1 |
6e020 | 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 32 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b | -8;2-1-9;..52.....1;1-1-1;2-2-1; |
6e040 | 00 02 35 33 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 35 34 00 0f 00 00 00 | ..53.....8;1-1-1;2-2-1;..54..... |
6e060 | 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 35 35 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 | 1;1-1-1;2-2-1;..55.....8;1-1-1;2 |
6e080 | 2d 32 2d 31 3b 00 02 35 36 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d | -2-1;..56.....1;1-1-1;2-1-1;2-1- |
6e0a0 | 32 3b 00 02 35 37 00 0f 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 02 35 38 00 15 00 | 2;..57.....1;1-1-2;2-2-2;..58... |
6e0c0 | 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 | ..9;1-1-2;2-1-2;2-1-6;....smiles |
6e0e0 | 00 71 00 00 00 43 4f 43 31 43 3d 43 4f 43 32 28 43 29 4f 63 33 63 28 43 32 3d 4f 29 63 32 43 28 | .q...COC1C=COC2(C)Oc3c(C2=O)c2C( |
6e100 | 3d 4f 29 43 28 3d 43 4e 4e 34 43 43 4e 28 43 43 34 29 43 29 43 28 3d 43 28 63 32 63 28 63 33 43 | =O)C(=CNN4CCN(CC4)C)C(=C(c2c(c3C |
6e120 | 29 4f 29 4f 29 4e 3d 43 28 43 28 3d 43 43 3d 43 43 28 43 28 43 28 43 28 43 28 43 28 43 31 43 29 | )O)O)N=C(C(=CC=CC(C(C(C(C(C(C1C) |
6e140 | 4f 43 28 3d 4f 29 43 29 43 29 4f 29 43 29 4f 29 43 29 43 29 4f 00 02 69 6e 63 68 69 00 12 01 00 | OC(=O)C)C)O)C)O)C)C)O..inchi.... |
6e160 | 00 49 6e 43 68 49 3d 31 53 2f 43 34 33 48 35 38 4e 34 4f 31 32 2f 63 31 2d 32 31 2d 31 32 2d 31 | .InChI=1S/C43H58N4O12/c1-21-12-1 |
6e180 | 31 2d 31 33 2d 32 32 28 32 29 34 32 28 35 35 29 34 35 2d 33 33 2d 32 38 28 32 30 2d 34 34 2d 34 | 1-13-22(2)42(55)45-33-28(20-44-4 |
6e1a0 | 37 2d 31 37 2d 31 35 2d 34 36 28 39 29 31 36 2d 31 38 2d 34 37 29 33 37 28 35 32 29 33 30 2d 33 | 7-17-15-46(9)16-18-47)37(52)30-3 |
6e1c0 | 31 28 33 38 28 33 33 29 35 33 29 33 36 28 35 31 29 32 36 28 36 29 34 30 2d 33 32 28 33 30 29 34 | 1(38(33)53)36(51)26(6)40-32(30)4 |
6e1e0 | 31 28 35 34 29 34 33 28 38 2c 35 39 2d 34 30 29 35 37 2d 31 39 2d 31 34 2d 32 39 28 35 36 2d 31 | 1(54)43(8,59-40)57-19-14-29(56-1 |
6e200 | 30 29 32 33 28 33 29 33 39 28 35 38 2d 32 37 28 37 29 34 38 29 32 35 28 35 29 33 35 28 35 30 29 | 0)23(3)39(58-27(7)48)25(5)35(50) |
6e220 | 32 34 28 34 29 33 34 28 32 31 29 34 39 2f 68 31 31 2d 31 34 2c 31 39 2d 32 31 2c 32 33 2d 32 35 | 24(4)34(21)49/h11-14,19-21,23-25 |
6e240 | 2c 32 39 2c 33 34 2d 33 35 2c 33 39 2c 34 34 2c 34 39 2d 35 31 2c 35 33 48 2c 31 35 2d 31 38 48 | ,29,34-35,39,44,49-51,53H,15-18H |
6e260 | 32 2c 31 2d 31 30 48 33 2c 28 48 2c 34 35 2c 35 35 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 e3 | 2,1-10H3,(H,45,55)..updated_at.. |
6e280 | d0 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e1 d0 65 46 50 01 00 00 10 64 65 66 61 | .eFP....created_at...eFP....defa |
6e2a0 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 b2 01 00 00 07 5f | ult_fingerprint_size..........._ |
6e2c0 | 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 1e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..)+r.+@....warnings.......f |
6e2e0 | 69 6e 67 65 72 70 72 69 6e 74 73 00 e6 00 00 00 04 4d 50 32 44 00 db 00 00 00 02 30 00 0f 00 00 | ingerprints......MP2D......0.... |
6e300 | 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 10 00 00 00 31 3b 31 2d 32 2d 31 3b 32 | .1;1-1-1;2-1-1;..1.....1;1-2-1;2 |
6e320 | 2d 31 2d 32 38 3b 00 02 32 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 | -1-28;..2."...1;1-1-1;1-1-28;2-1 |
6e340 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 35 3b 00 02 33 00 22 00 00 00 32 38 3b 31 2d 31 2d 31 3b | -1;2-1-2;2-1-5;..3."...28;1-1-1; |
6e360 | 31 2d 31 2d 32 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 34 00 1c 00 00 00 | 1-1-2;1-1-5;2-1-1;2-1-9;..4..... |
6e380 | 32 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 35 00 10 | 2;1-1-9;1-1-28;2-1-1;2-1-5;..5.. |
6e3a0 | 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 02 36 00 16 00 00 00 35 3b 31 2d 31 2d | ...9;1-1-2;2-1-28;..6.....5;1-1- |
6e3c0 | 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 0b 00 00 00 43 43 | 28;2-1-1;2-1-2;....smiles.....CC |
6e3e0 | 43 4e 28 43 3d 4f 29 4e 00 02 69 6e 63 68 69 00 31 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 | CN(C=O)N..inchi.1...InChI=1S/C4H |
6e400 | 31 30 4e 32 4f 2f 63 31 2d 32 2d 33 2d 36 28 35 29 34 2d 37 2f 68 34 48 2c 32 2d 33 2c 35 48 32 | 10N2O/c1-2-3-6(5)4-7/h4H,2-3,5H2 |
6e420 | 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 e9 d0 65 46 50 01 00 00 09 63 72 65 61 74 65 | ,1H3..updated_at...eFP....create |
6e440 | 64 5f 61 74 00 e8 d0 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at...eFP....default_fingerprin |
6e460 | 74 5f 73 69 7a 65 00 00 00 00 00 00 6f 01 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 | t_size......o...._id.V..)+r.+@.. |
6e480 | 1f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ac 00 | ..warnings.......fingerprints... |
6e4a0 | 00 00 04 4d 50 32 44 00 a1 00 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 | ...MP2D......0.....1;1-1-1;2-1-1 |
6e4c0 | 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 00 15 00 00 00 31 | ;..1.....1;1-2-1;2-1-1;..2.....1 |
6e4e0 | 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d 31 | ;1-2-1;2-1-1;2-1-5;..3.....1;1-1 |
6e500 | 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 34 00 15 00 00 00 35 3b 31 | -1;1-1-5;2-1-1;2-1-5;..4.....5;1 |
6e520 | 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 00 02 35 00 0f 00 00 00 35 3b 31 2d 31 2d 35 | -1-1;1-1-5;2-1-1;..5.....5;1-1-5 |
6e540 | 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 07 00 00 00 43 43 43 43 4e 4e 00 02 69 6e | ;2-1-1;....smiles.....CCCCNN..in |
6e560 | 63 68 69 00 2c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 31 32 4e 32 2f 63 31 2d 32 2d 33 2d | chi.,...InChI=1S/C4H12N2/c1-2-3- |
6e580 | 34 2d 36 2d 35 2f 68 36 48 2c 32 2d 35 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 | 4-6-5/h6H,2-5H2,1H3..updated_at. |
6e5a0 | f2 d0 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f1 d0 65 46 50 01 00 00 10 64 65 66 | ..eFP....created_at...eFP....def |
6e5c0 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 0b 02 00 00 07 | ault_fingerprint_size........... |
6e5e0 | 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 20 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..)+r.+@....warnings....... |
6e600 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 32 01 00 00 04 4d 50 32 44 00 27 01 00 00 02 30 00 10 00 | fingerprints.2....MP2D.'....0... |
6e620 | 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 31 2d 38 | ..8;1-1-3;2-2-11;..1.....3;1-1-8 |
6e640 | 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 32 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 | ;1-2-11;2-2-3;..2.....11;1-2-3;2 |
6e660 | 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 33 00 1d 00 00 00 33 3b 31 2d 31 2d | -1-3;2-1-8;2-1-11;..3.....3;1-1- |
6e680 | 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 34 00 1d 00 00 00 33 3b | 3;1-1-11;2-2-3;2-1-16;..4.....3; |
6e6a0 | 31 2d 32 2d 33 3b 31 2d 31 2d 31 36 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 31 3b 00 02 35 00 23 00 | 1-2-3;1-1-16;2-1-8;2-2-11;..5.#. |
6e6c0 | 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 | ..3;1-1-3;1-1-8;1-1-11;2-2-3;2-1 |
6e6e0 | 2d 31 36 3b 00 02 36 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 32 2d 38 | -16;..6.....11;1-2-3;2-1-3;2-2-8 |
6e700 | 3b 32 2d 31 2d 31 31 3b 00 02 37 00 16 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d | ;2-1-11;..7.....8;1-1-3;2-1-3;2- |
6e720 | 31 2d 31 31 3b 00 02 38 00 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 | 1-11;..8.....16;1-1-3;2-2-3;.... |
6e740 | 73 6d 69 6c 65 73 00 10 00 00 00 4f 63 31 6e 63 63 28 63 28 6e 31 29 4f 29 46 00 02 69 6e 63 68 | smiles.....Oc1ncc(c(n1)O)F..inch |
6e760 | 69 00 39 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 33 46 4e 32 4f 32 2f 63 35 2d 32 2d 31 2d | i.9...InChI=1S/C4H3FN2O2/c5-2-1- |
6e780 | 36 2d 34 28 39 29 37 2d 33 28 32 29 38 2f 68 31 48 2c 28 48 32 2c 36 2c 37 2c 38 2c 39 29 00 09 | 6-4(9)7-3(2)8/h1H,(H2,6,7,8,9).. |
6e7a0 | 75 70 64 61 74 65 64 5f 61 74 00 f9 d0 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f7 | updated_at...eFP....created_at.. |
6e7c0 | d0 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | .eFP....default_fingerprint_size |
6e7e0 | 00 00 00 00 00 00 59 01 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 21 04 77 61 72 6e | ......Y...._id.V..)+r.+@..!.warn |
6e800 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 99 00 00 00 04 4d 50 32 | ings.......fingerprints......MP2 |
6e820 | 44 00 8e 00 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 | D......0.....1;1-1-2;2-1-1;2-1-2 |
6e840 | 3b 00 02 31 00 16 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 | ;..1.....2;1-2-1;1-1-2;2-1-15;.. |
6e860 | 32 00 0f 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 02 33 00 1c 00 00 00 31 3b 31 2d | 2.....2;1-1-2;2-2-1;..3.....1;1- |
6e880 | 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 00 10 00 00 00 31 | 1-2;1-1-15;2-1-1;2-1-2;..4.....1 |
6e8a0 | 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 0a 00 00 00 43 43 28 | 5;1-1-1;2-1-2;....smiles.....CC( |
6e8c0 | 3d 43 29 43 43 6c 00 02 69 6e 63 68 69 00 26 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 37 43 | =C)CCl..inchi.&...InChI=1S/C4H7C |
6e8e0 | 6c 2f 63 31 2d 34 28 32 29 33 2d 35 2f 68 31 2c 33 48 32 2c 32 48 33 00 09 75 70 64 61 74 65 64 | l/c1-4(2)3-5/h1,3H2,2H3..updated |
6e900 | 5f 61 74 00 15 d1 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 13 d1 65 46 50 01 00 00 | _at...eFP....created_at...eFP... |
6e920 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 b0 | .default_fingerprint_size....... |
6e940 | 01 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 22 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..)+r.+@..".warnings... |
6e960 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 e0 00 00 00 04 4d 50 32 44 00 d5 00 00 00 02 | ....fingerprints......MP2D...... |
6e980 | 30 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 31 00 21 00 | 0.....9;1-1-2;2-1-2;2-1-6;..1.!. |
6e9a0 | 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d | ..2;1-1-2;1-1-6;1-1-9;2-1-1;2-1- |
6e9c0 | 32 3b 00 02 32 00 21 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d | 2;..2.!...6;1-1-1;1-1-2;2-1-2;2- |
6e9e0 | 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 33 00 15 00 00 00 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 38 3b | 1-8;2-1-9;..3.....1;1-1-6;1-1-8; |
6ea00 | 32 2d 31 2d 32 3b 00 02 34 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 35 00 | 2-1-2;..4.....8;1-1-1;2-1-6;..5. |
6ea20 | 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 36 00 0f 00 00 00 | ....2;1-2-2;2-1-6;2-1-9;..6..... |
6ea40 | 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 0c 00 00 00 4f 43 28 | 2;1-1-2;2-1-2;....smiles.....OC( |
6ea60 | 3d 4e 43 4f 29 43 3d 43 00 02 69 6e 63 68 69 00 34 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 | =NCO)C=C..inchi.4...InChI=1S/C4H |
6ea80 | 37 4e 4f 32 2f 63 31 2d 32 2d 34 28 37 29 35 2d 33 2d 36 2f 68 32 2c 36 48 2c 31 2c 33 48 32 2c | 7NO2/c1-2-4(7)5-3-6/h2,6H,1,3H2, |
6eaa0 | 28 48 2c 35 2c 37 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 24 d1 65 46 50 01 00 00 09 63 72 65 | (H,5,7)..updated_at.$.eFP....cre |
6eac0 | 61 74 65 64 5f 61 74 00 20 d1 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at...eFP....default_fingerp |
6eae0 | 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 ae 01 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b | rint_size..........._id.V..)+r.+ |
6eb00 | 40 00 03 23 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 | @..#.warnings.......fingerprints |
6eb20 | 00 e6 00 00 00 04 4d 50 32 44 00 db 00 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d | ......MP2D......0.....1;1-1-2;2- |
6eb40 | 31 2d 36 3b 00 02 31 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 38 | 1-6;..1.....2;1-1-1;1-1-6;2-1-28 |
6eb60 | 3b 00 02 32 00 1c 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d | ;..2.....6;1-1-2;1-1-28;2-2-1;2- |
6eb80 | 31 2d 32 3b 00 02 33 00 22 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 | 1-2;..3."...28;1-1-1;1-1-2;1-1-6 |
6eba0 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 34 00 1c 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 31 | ;2-1-2;2-1-9;..4.....2;1-1-9;1-1 |
6ebc0 | 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 35 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b | -28;2-1-1;2-1-6;..5.....9;1-1-2; |
6ebe0 | 32 2d 31 2d 32 38 3b 00 02 36 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d | 2-1-28;..6.....1;1-1-28;2-1-2;2- |
6ec00 | 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 0c 00 00 00 43 43 3d 4e 4e 28 43 3d 4f 29 43 00 02 | 1-6;....smiles.....CC=NN(C=O)C.. |
6ec20 | 69 6e 63 68 69 00 2c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 38 4e 32 4f 2f 63 31 2d 33 2d | inchi.,...InChI=1S/C4H8N2O/c1-3- |
6ec40 | 35 2d 36 28 32 29 34 2d 37 2f 68 33 2d 34 48 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 | 5-6(2)4-7/h3-4H,1-2H3..updated_a |
6ec60 | 74 00 2a d1 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 29 d1 65 46 50 01 00 00 10 64 | t.*.eFP....created_at.).eFP....d |
6ec80 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 d1 01 00 | efault_fingerprint_size......... |
6eca0 | 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 24 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V..)+r.+@..$.warnings..... |
6ecc0 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 02 01 00 00 04 4d 50 32 44 00 f7 00 00 00 02 30 00 | ..fingerprints......MP2D......0. |
6ece0 | 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d | ....1;1-1-1;2-1-1;..1.....1;1-2- |
6ed00 | 31 3b 32 2d 31 2d 31 3b 00 02 32 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d | 1;2-1-1;..2.....1;1-2-1;2-1-1;2- |
6ed20 | 31 2d 32 38 3b 00 02 33 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d | 1-28;..3."...1;1-1-1;1-1-28;2-1- |
6ed40 | 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 35 3b 00 02 34 00 22 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 | 1;2-1-2;2-1-5;..4."...28;1-1-1;1 |
6ed60 | 2d 31 2d 32 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 35 00 1c 00 00 00 32 | -1-2;1-1-5;2-1-1;2-1-9;..5.....2 |
6ed80 | 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 36 00 10 00 | ;1-1-9;1-1-28;2-1-1;2-1-5;..6... |
6eda0 | 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 02 37 00 16 00 00 00 35 3b 31 2d 31 2d 32 | ..9;1-1-2;2-1-28;..7.....5;1-1-2 |
6edc0 | 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 0c 00 00 00 43 43 43 | 8;2-1-1;2-1-2;....smiles.....CCC |
6ede0 | 43 4e 28 43 3d 4f 29 4e 00 02 69 6e 63 68 69 00 33 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 | CN(C=O)N..inchi.3...InChI=1S/C5H |
6ee00 | 31 32 4e 32 4f 2f 63 31 2d 32 2d 33 2d 34 2d 37 28 36 29 35 2d 38 2f 68 35 48 2c 32 2d 34 2c 36 | 12N2O/c1-2-3-4-7(6)5-8/h5H,2-4,6 |
6ee20 | 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 3b d1 65 46 50 01 00 00 09 63 72 65 61 | H2,1H3..updated_at.;.eFP....crea |
6ee40 | 74 65 64 5f 61 74 00 39 d1 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at.9.eFP....default_fingerpr |
6ee60 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 88 01 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 | int_size..........._id.V..)+r.+@ |
6ee80 | 00 03 25 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 | ..%.warnings.......fingerprints. |
6eea0 | c2 00 00 00 04 4d 50 32 44 00 b7 00 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 | .....MP2D......0.....1;1-1-1;2-1 |
6eec0 | 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 00 0f 00 00 | -1;..1.....1;1-2-1;2-1-1;..2.... |
6eee0 | 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 | .1;1-2-1;2-2-1;..3.....1;1-2-1;2 |
6ef00 | 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 34 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 | -1-1;2-1-5;..4.....1;1-1-1;1-1-5 |
6ef20 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 35 00 15 00 00 00 35 3b 31 2d 31 2d 31 3b 31 2d 31 | ;2-1-1;2-1-5;..5.....5;1-1-1;1-1 |
6ef40 | 2d 35 3b 32 2d 31 2d 31 3b 00 02 36 00 0f 00 00 00 35 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 00 | -5;2-1-1;..6.....5;1-1-5;2-1-1;. |
6ef60 | 00 00 02 73 6d 69 6c 65 73 00 08 00 00 00 43 43 43 43 43 4e 4e 00 02 69 6e 63 68 69 00 2e 00 00 | ...smiles.....CCCCCNN..inchi.... |
6ef80 | 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 31 34 4e 32 2f 63 31 2d 32 2d 33 2d 34 2d 35 2d 37 2d 36 | .InChI=1S/C5H14N2/c1-2-3-4-5-7-6 |
6efa0 | 2f 68 37 48 2c 32 2d 36 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 45 d1 65 46 50 | /h7H,2-6H2,1H3..updated_at.E.eFP |
6efc0 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 44 d1 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.D.eFP....default_ |
6efe0 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 c0 01 00 00 07 5f 69 64 00 56 | fingerprint_size..........._id.V |
6f000 | 16 1e 29 2b 72 ed 2b 40 00 03 26 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..)+r.+@..&.warnings.......finge |
6f020 | 72 70 72 69 6e 74 73 00 f9 00 00 00 04 4d 50 32 44 00 ee 00 00 00 02 30 00 16 00 00 00 39 3b 31 | rprints......MP2D......0.....9;1 |
6f040 | 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 00 1c 00 00 00 32 3b 31 2d 31 2d | -1-2;2-1-1;2-1-28;..1.....2;1-1- |
6f060 | 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 00 02 32 00 22 00 00 00 31 3b 31 | 1;1-1-9;1-1-28;2-3-1;..2."...1;1 |
6f080 | 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 | -1-1;1-1-2;2-1-1;2-1-9;2-1-28;.. |
6f0a0 | 33 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 02 34 00 1c | 3.....1;1-2-1;2-1-2;2-1-28;..4.. |
6f0c0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 | ...1;1-1-1;1-1-28;2-2-1;2-1-2;.. |
6f0e0 | 35 00 1c 00 00 00 32 38 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 | 5.....28;1-2-1;1-1-2;2-2-1;2-1-9 |
6f100 | 3b 00 02 36 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 | ;..6.....1;1-1-28;2-1-1;2-1-2;.. |
6f120 | 00 02 73 6d 69 6c 65 73 00 0b 00 00 00 4f 3d 43 31 43 43 43 4e 31 43 00 02 69 6e 63 68 69 00 2c | ..smiles.....O=C1CCCN1C..inchi., |
6f140 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 39 4e 4f 2f 63 31 2d 36 2d 34 2d 32 2d 33 2d 35 28 | ...InChI=1S/C5H9NO/c1-6-4-2-3-5( |
6f160 | 36 29 37 2f 68 32 2d 34 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 54 d1 65 46 50 | 6)7/h2-4H2,1H3..updated_at.T.eFP |
6f180 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 52 d1 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.R.eFP....default_ |
6f1a0 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 ca 01 00 00 07 5f 69 64 00 56 | fingerprint_size..........._id.V |
6f1c0 | 16 1e 29 2b 72 ed 2b 40 00 03 27 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..)+r.+@..'.warnings.......finge |
6f1e0 | 72 70 72 69 6e 74 73 00 fc 00 00 00 04 4d 50 32 44 00 f1 00 00 00 02 30 00 0f 00 00 00 32 3b 31 | rprints......MP2D......0.....2;1 |
6f200 | 2d 31 2d 32 3b 32 2d 31 2d 31 3b 00 02 31 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | -1-2;2-1-1;..1.....2;1-1-1;1-1-2 |
6f220 | 3b 32 2d 31 2d 38 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 | ;2-1-8;..2.....1;1-1-2;1-1-8;2-1 |
6f240 | 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 | -1;2-1-2;..3.....8;1-2-1;2-1-1;2 |
6f260 | 2d 31 2d 32 3b 00 02 34 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 | -1-2;..4.....1;1-1-1;1-1-8;2-2-1 |
6f280 | 3b 32 2d 31 2d 38 3b 00 02 35 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 | ;2-1-8;..5.....1;1-2-1;1-1-8;2-1 |
6f2a0 | 2d 31 3b 32 2d 32 2d 38 3b 00 02 36 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 | -1;2-2-8;..6.....1;1-1-1;1-1-8;2 |
6f2c0 | 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 37 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 | -2-1;2-1-8;..7.....8;1-2-1;2-3-1 |
6f2e0 | 3b 00 00 00 02 73 6d 69 6c 65 73 00 0c 00 00 00 43 3d 43 43 4f 43 43 31 43 4f 31 00 02 69 6e 63 | ;....smiles.....C=CCOCC1CO1..inc |
6f300 | 68 69 00 32 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 30 4f 32 2f 63 31 2d 32 2d 33 2d 37 | hi.2...InChI=1S/C6H10O2/c1-2-3-7 |
6f320 | 2d 34 2d 36 2d 35 2d 38 2d 36 2f 68 32 2c 36 48 2c 31 2c 33 2d 35 48 32 00 09 75 70 64 61 74 65 | -4-6-5-8-6/h2,6H,1,3-5H2..update |
6f340 | 64 5f 61 74 00 64 d1 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 62 d1 65 46 50 01 00 | d_at.d.eFP....created_at.b.eFP.. |
6f360 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 | ..default_fingerprint_size...... |
6f380 | 47 02 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 28 04 77 61 72 6e 69 6e 67 73 00 05 | G...._id.V..)+r.+@..(.warnings.. |
6f3a0 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 6b 01 00 00 04 4d 50 32 44 00 60 01 00 00 | .....fingerprints.k....MP2D.`... |
6f3c0 | 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 16 00 00 00 31 3b | .0.....15;1-1-1;2-1-8;..1.....1; |
6f3e0 | 31 2d 31 2d 38 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 00 02 32 00 16 00 00 00 38 3b 31 2d 32 | 1-1-8;1-1-15;2-1-1;..2.....8;1-2 |
6f400 | 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b | -1;2-2-1;2-1-15;..3.....1;1-2-1; |
6f420 | 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 00 02 34 00 1b 00 00 00 31 3b 31 2d 31 2d | 1-1-8;2-1-1;2-2-8;..4.....1;1-1- |
6f440 | 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 16 00 00 00 38 3b 31 2d | 1;1-1-8;2-2-1;2-1-8;..5.....8;1- |
6f460 | 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 36 00 16 00 00 00 31 3b 31 2d 31 2d 38 | 2-1;2-1-1;2-1-15;..6.....1;1-1-8 |
6f480 | 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 00 02 37 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 | ;1-1-15;2-1-1;..7.....15;1-1-1;2 |
6f4a0 | 2d 31 2d 38 3b 00 02 38 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 | -1-8;..8.....1;1-1-1;1-1-8;2-2-1 |
6f4c0 | 3b 32 2d 31 2d 38 3b 00 02 39 00 16 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 | ;2-1-8;..9.....8;1-2-1;2-1-1;2-1 |
6f4e0 | 2d 31 35 3b 00 02 31 30 00 16 00 00 00 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d | -15;..10.....1;1-1-8;1-1-15;2-1- |
6f500 | 31 3b 00 02 31 31 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d | 1;..11.....15;1-1-1;2-1-8;....sm |
6f520 | 69 6c 65 73 00 12 00 00 00 43 6c 43 4f 43 28 43 4f 43 43 6c 29 43 4f 43 43 6c 00 02 69 6e 63 68 | iles.....ClCOC(COCCl)COCCl..inch |
6f540 | 69 00 3a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 31 43 6c 33 4f 33 2f 63 37 2d 33 2d 31 | i.:...InChI=1S/C6H11Cl3O3/c7-3-1 |
6f560 | 30 2d 31 2d 36 28 31 32 2d 35 2d 39 29 32 2d 31 31 2d 34 2d 38 2f 68 36 48 2c 31 2d 35 48 32 00 | 0-1-6(12-5-9)2-11-4-8/h6H,1-5H2. |
6f580 | 09 75 70 64 61 74 65 64 5f 61 74 00 6b d1 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at.k.eFP....created_at. |
6f5a0 | 6a d1 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | j.eFP....default_fingerprint_siz |
6f5c0 | 65 00 00 00 00 00 00 75 03 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 29 04 77 61 72 | e......u...._id.V..)+r.+@..).war |
6f5e0 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 7d 02 00 00 04 4d 50 | nings.......fingerprints.}....MP |
6f600 | 32 44 00 72 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 | 2D.r....0.....1;1-1-8;2-1-3;..1. |
6f620 | 1d 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b | ....8;1-1-1;1-1-3;2-1-11;2-1-18; |
6f640 | 00 02 32 00 2a 00 00 00 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 38 3b 32 2d | ..2.*...3;1-1-8;1-1-11;1-1-18;2- |
6f660 | 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 33 00 1d 00 00 00 31 38 3b 31 2d 32 2d | 1-1;2-1-3;2-1-11;..3.....18;1-2- |
6f680 | 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 31 3b 00 02 34 00 2a 00 00 00 33 3b 31 | 3;2-1-8;2-1-9;2-2-11;..4.*...3;1 |
6f6a0 | 2d 31 2d 39 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 | -1-9;1-1-11;1-1-18;2-1-1;2-1-3;2 |
6f6c0 | 2d 31 2d 31 31 3b 00 02 35 00 17 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 | -1-11;..5.....9;1-1-3;2-1-11;2-1 |
6f6e0 | 2d 31 38 3b 00 02 36 00 31 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 | -18;..6.1...11;1-1-1;1-1-3;1-1-1 |
6f700 | 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 37 00 | 1;2-1-3;2-1-9;2-1-10;2-1-18;..7. |
6f720 | 2a 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b | *...11;1-1-3;1-1-11;2-1-1;2-1-3; |
6f740 | 32 2d 31 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 38 00 25 00 00 00 31 3b 31 2d 31 2d 31 30 3b 31 2d | 2-1-8;2-1-18;..8.%...1;1-1-10;1- |
6f760 | 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 32 3b 00 02 39 00 25 00 00 | 1-11;2-1-3;2-1-11;2-1-12;..9.%.. |
6f780 | 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 31 3b 32 2d | .10;1-1-1;1-1-12;2-2-8;2-1-11;2- |
6f7a0 | 31 2d 31 38 3b 00 02 31 30 00 1e 00 00 00 31 32 3b 31 2d 32 2d 38 3b 31 2d 31 2d 31 30 3b 31 2d | 1-18;..10.....12;1-2-8;1-1-10;1- |
6f7c0 | 31 2d 31 38 3b 32 2d 33 2d 31 3b 00 02 31 31 00 18 00 00 00 31 38 3b 31 2d 31 2d 31 32 3b 32 2d | 1-18;2-3-1;..11.....18;1-1-12;2- |
6f7e0 | 32 2d 38 3b 32 2d 31 2d 31 30 3b 00 02 31 32 00 24 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 2-8;2-1-10;..12.$...8;1-1-1;1-1- |
6f800 | 31 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 31 33 00 10 00 00 00 | 12;2-1-8;2-1-10;2-1-18;..13..... |
6f820 | 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 34 00 24 00 00 00 38 3b 31 2d 31 2d 31 3b | 1;1-1-8;2-1-12;..14.$...8;1-1-1; |
6f840 | 31 2d 31 2d 31 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 31 35 00 | 1-1-12;2-1-8;2-1-10;2-1-18;..15. |
6f860 | 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 1d 00 | ....1;1-1-8;2-1-12;....smiles... |
6f880 | 00 00 43 4f 63 31 73 63 28 3d 4f 29 6e 28 6e 31 29 43 53 50 28 3d 53 29 28 4f 43 29 4f 43 00 02 | ..COc1sc(=O)n(n1)CSP(=S)(OC)OC.. |
6f8a0 | 69 6e 63 68 69 00 4b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 31 4e 32 4f 34 50 53 33 2f | inchi.K...InChI=1S/C6H11N2O4PS3/ |
6f8c0 | 63 31 2d 31 30 2d 35 2d 37 2d 38 28 36 28 39 29 31 36 2d 35 29 34 2d 31 35 2d 31 33 28 31 34 2c | c1-10-5-7-8(6(9)16-5)4-15-13(14, |
6f8e0 | 31 31 2d 32 29 31 32 2d 33 2f 68 34 48 32 2c 31 2d 33 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 | 11-2)12-3/h4H2,1-3H3..updated_at |
6f900 | 00 75 d1 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 74 d1 65 46 50 01 00 00 10 64 65 | .u.eFP....created_at.t.eFP....de |
6f920 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 f0 01 00 00 | fault_fingerprint_size.......... |
6f940 | 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 2a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V..)+r.+@..*.warnings...... |
6f960 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 18 01 00 00 04 4d 50 32 44 00 0d 01 00 00 02 30 00 10 | .fingerprints......MP2D......0.. |
6f980 | 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 1c 00 00 00 31 3b 31 2d 31 2d | ...15;1-1-1;2-1-1;..1.....1;1-1- |
6f9a0 | 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 00 1c 00 00 00 31 3b 31 | 1;1-1-15;2-1-1;2-1-8;..2.....1;1 |
6f9c0 | 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 33 00 0f 00 00 00 | -2-1;1-1-8;2-1-1;2-1-15;..3..... |
6f9e0 | 38 3b 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b 00 02 34 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d | 8;1-2-1;2-4-1;..4.....1;1-2-1;1- |
6fa00 | 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 35 00 1c 00 00 00 31 3b 31 2d 31 2d 31 | 1-8;2-1-1;2-1-15;..5.....1;1-1-1 |
6fa20 | 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 36 00 10 00 00 00 31 35 3b 31 | ;1-1-15;2-1-1;2-1-8;..6.....15;1 |
6fa40 | 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 37 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 | -1-1;2-1-1;..7.....1;1-1-1;2-1-1 |
6fa60 | 3b 32 2d 31 2d 38 3b 00 02 38 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 | ;2-1-8;..8.....1;1-1-1;2-1-1;2-1 |
6fa80 | 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 10 00 00 00 43 6c 43 43 28 4f 43 28 43 43 6c 29 43 29 | -8;....smiles.....ClCC(OC(CCl)C) |
6faa0 | 43 00 02 69 6e 63 68 69 00 38 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 32 43 6c 32 4f 2f | C..inchi.8...InChI=1S/C6H12Cl2O/ |
6fac0 | 63 31 2d 35 28 33 2d 37 29 39 2d 36 28 32 29 34 2d 38 2f 68 35 2d 36 48 2c 33 2d 34 48 32 2c 31 | c1-5(3-7)9-6(2)4-8/h5-6H,3-4H2,1 |
6fae0 | 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 82 d1 65 46 50 01 00 00 09 63 72 65 61 74 65 | -2H3..updated_at...eFP....create |
6fb00 | 64 5f 61 74 00 80 d1 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at...eFP....default_fingerprin |
6fb20 | 74 5f 73 69 7a 65 00 00 00 00 00 00 cd 01 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 | t_size..........._id.V..)+r.+@.. |
6fb40 | 2b 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 fc 00 | +.warnings.......fingerprints... |
6fb60 | 00 00 04 4d 50 32 44 00 f1 00 00 00 02 30 00 0f 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 | ...MP2D......0.....2;1-1-2;2-1-1 |
6fb80 | 3b 00 02 31 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 35 3b 00 02 32 | ;..1.....2;1-1-1;1-1-2;2-1-5;..2 |
6fba0 | 00 1b 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 35 3b 32 2d 31 2d 32 3b 32 2d 31 2d 35 3b 00 | .....1;1-1-2;1-1-5;2-1-2;2-1-5;. |
6fbc0 | 02 33 00 1b 00 00 00 35 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 | .3.....5;1-1-1;1-1-5;2-1-1;2-1-2 |
6fbe0 | 3b 00 02 34 00 1b 00 00 00 35 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 | ;..4.....5;1-1-1;1-1-5;2-1-1;2-1 |
6fc00 | 2d 32 3b 00 02 35 00 1b 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 35 3b 32 2d 31 2d 32 3b 32 | -2;..5.....1;1-1-2;1-1-5;2-1-2;2 |
6fc20 | 2d 31 2d 35 3b 00 02 36 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 35 | -1-5;..6.....2;1-1-1;1-1-2;2-1-5 |
6fc40 | 3b 00 02 37 00 0f 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 | ;..7.....2;1-1-2;2-1-1;....smile |
6fc60 | 73 00 0b 00 00 00 43 3d 43 43 4e 4e 43 43 3d 43 00 02 69 6e 63 68 69 00 36 00 00 00 49 6e 43 68 | s.....C=CCNNCC=C..inchi.6...InCh |
6fc80 | 49 3d 31 53 2f 43 36 48 31 32 4e 32 2f 63 31 2d 33 2d 35 2d 37 2d 38 2d 36 2d 34 2d 32 2f 68 33 | I=1S/C6H12N2/c1-3-5-7-8-6-4-2/h3 |
6fca0 | 2d 34 2c 37 2d 38 48 2c 31 2d 32 2c 35 2d 36 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 8f d1 | -4,7-8H,1-2,5-6H2..updated_at... |
6fcc0 | 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 8d d1 65 46 50 01 00 00 10 64 65 66 61 75 | eFP....created_at...eFP....defau |
6fce0 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 c5 01 00 00 07 5f 69 | lt_fingerprint_size..........._i |
6fd00 | 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 2c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..)+r.+@..,.warnings.......fi |
6fd20 | 6e 67 65 72 70 72 69 6e 74 73 00 f6 00 00 00 04 4d 50 32 44 00 eb 00 00 00 02 30 00 0f 00 00 00 | ngerprints......MP2D......0..... |
6fd40 | 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 00 02 31 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d | 2;1-1-2;2-1-1;..1.....2;1-1-1;1- |
6fd60 | 31 2d 32 3b 32 2d 31 2d 35 3b 00 02 32 00 21 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 35 3b | 1-2;2-1-5;..2.!...1;1-1-2;1-1-5; |
6fd80 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 35 3b 00 02 33 00 15 00 00 00 35 3b 31 2d 32 2d | 2-1-1;2-1-2;2-1-5;..3.....5;1-2- |
6fda0 | 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 32 3b 00 02 34 00 21 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d | 1;1-1-5;2-2-2;..4.!...1;1-1-2;1- |
6fdc0 | 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 35 3b 00 02 35 00 15 00 00 00 32 3b | 1-5;2-1-1;2-1-2;2-1-5;..5.....2; |
6fde0 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 35 3b 00 02 36 00 0f 00 00 00 32 3b 31 2d 31 2d | 1-1-1;1-1-2;2-1-5;..6.....2;1-1- |
6fe00 | 32 3b 32 2d 31 2d 31 3b 00 02 37 00 0f 00 00 00 35 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 00 | 2;2-1-1;..7.....5;1-1-5;2-2-1;.. |
6fe20 | 00 02 73 6d 69 6c 65 73 00 0d 00 00 00 43 3d 43 43 4e 28 43 43 3d 43 29 4e 00 02 69 6e 63 68 69 | ..smiles.....C=CCN(CC=C)N..inchi |
6fe40 | 00 32 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 32 4e 32 2f 63 31 2d 33 2d 35 2d 38 28 37 | .2...InChI=1S/C6H12N2/c1-3-5-8(7 |
6fe60 | 29 36 2d 34 2d 32 2f 68 33 2d 34 48 2c 31 2d 32 2c 35 2d 37 48 32 00 09 75 70 64 61 74 65 64 5f | )6-4-2/h3-4H,1-2,5-7H2..updated_ |
6fe80 | 61 74 00 95 d1 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 93 d1 65 46 50 01 00 00 10 | at...eFP....created_at...eFP.... |
6fea0 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 c2 01 | default_fingerprint_size........ |
6fec0 | 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 2d 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V..)+r.+@..-.warnings.... |
6fee0 | 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 f0 00 00 00 04 4d 50 32 44 00 e5 00 00 00 02 30 | ...fingerprints......MP2D......0 |
6ff00 | 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 | .....1;1-1-1;2-1-1;..1.....1;1-2 |
6ff20 | 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 | -1;2-1-1;..2.....1;1-2-1;2-2-1;. |
6ff40 | 02 33 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 00 21 | .3.....1;1-2-1;2-1-1;2-1-2;..4.! |
6ff60 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 | ...1;1-1-1;1-1-2;2-1-1;2-1-6;2-1 |
6ff80 | 2d 39 3b 00 02 35 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 | -9;..5.....2;1-1-1;1-1-6;1-1-9;2 |
6ffa0 | 2d 31 2d 31 3b 00 02 36 00 15 00 00 00 36 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 | -1-1;..6.....6;1-1-2;2-1-1;2-1-9 |
6ffc0 | 3b 00 02 37 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 00 00 | ;..7.....9;1-1-2;2-1-1;2-1-6;... |
6ffe0 | 02 73 6d 69 6c 65 73 00 0c 00 00 00 43 43 43 43 43 43 28 3d 4e 29 4f 00 02 69 6e 63 68 69 00 36 | .smiles.....CCCCCC(=N)O..inchi.6 |
70000 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 33 4e 4f 2f 63 31 2d 32 2d 33 2d 34 2d 35 2d 36 | ...InChI=1S/C6H13NO/c1-2-3-4-5-6 |
70020 | 28 37 29 38 2f 68 32 2d 35 48 32 2c 31 48 33 2c 28 48 32 2c 37 2c 38 29 00 09 75 70 64 61 74 65 | (7)8/h2-5H2,1H3,(H2,7,8)..update |
70040 | 64 5f 61 74 00 a1 d1 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a0 d1 65 46 50 01 00 | d_at...eFP....created_at...eFP.. |
70060 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 | ..default_fingerprint_size...... |
70080 | 46 02 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 2e 04 77 61 72 6e 69 6e 67 73 00 05 | F...._id.V..)+r.+@....warnings.. |
700a0 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 5d 01 00 00 04 4d 50 32 44 00 52 01 00 00 | .....fingerprints.]....MP2D.R... |
700c0 | 02 30 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 35 3b 32 2d 32 2d 39 3b 00 02 31 00 | .0.....8;1-1-10;2-1-5;2-2-9;..1. |
700e0 | 1c 00 00 00 31 30 3b 31 2d 31 2d 35 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d 31 2d 31 3b 00 | ....10;1-1-5;1-1-8;1-2-9;2-1-1;. |
70100 | 02 32 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b 32 2d 31 2d | .2.....9;1-1-10;2-1-5;2-1-8;2-1- |
70120 | 39 3b 00 02 33 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b 32 | 9;..3.....9;1-1-10;2-1-5;2-1-8;2 |
70140 | 2d 31 2d 39 3b 00 02 34 00 22 00 00 00 35 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d | -1-9;..4."...5;1-1-1;1-1-10;2-2- |
70160 | 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 35 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d | 1;2-1-8;2-2-9;..5.....1;1-2-1;1- |
70180 | 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 36 00 15 00 00 00 31 3b 31 2d 32 2d 31 | 1-5;2-2-1;2-1-10;..6.....1;1-2-1 |
701a0 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 | ;2-2-1;2-1-5;..7.....1;1-2-1;2-2 |
701c0 | 2d 31 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 39 00 0f 00 00 | -1;..8.....1;1-2-1;2-2-1;..9.... |
701e0 | 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 30 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b | .1;1-2-1;2-2-1;..10.....1;1-2-1; |
70200 | 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 14 00 00 00 4f 53 28 3d 4f | 2-2-1;2-1-5;....smiles.....OS(=O |
70220 | 29 28 3d 4f 29 4e 43 31 43 43 43 43 43 31 00 02 69 6e 63 68 69 00 45 00 00 00 49 6e 43 68 49 3d | )(=O)NC1CCCCC1..inchi.E...InChI= |
70240 | 31 53 2f 43 36 48 31 33 4e 4f 33 53 2f 63 38 2d 31 31 28 39 2c 31 30 29 37 2d 36 2d 34 2d 32 2d | 1S/C6H13NO3S/c8-11(9,10)7-6-4-2- |
70260 | 31 2d 33 2d 35 2d 36 2f 68 36 2d 37 48 2c 31 2d 35 48 32 2c 28 48 2c 38 2c 39 2c 31 30 29 00 09 | 1-3-5-6/h6-7H,1-5H2,(H,8,9,10).. |
70280 | 75 70 64 61 74 65 64 5f 61 74 00 ac d1 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 aa | updated_at...eFP....created_at.. |
702a0 | d1 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | .eFP....default_fingerprint_size |
702c0 | 00 00 00 00 00 00 a7 01 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 2f 04 77 61 72 6e | ..........._id.V..)+r.+@../.warn |
702e0 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 de 00 00 00 04 4d 50 32 | ings.......fingerprints......MP2 |
70300 | 44 00 d3 00 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f | D......0.....1;1-1-1;2-1-1;..1.. |
70320 | 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 00 15 00 00 00 31 3b 31 2d 32 2d 31 | ...1;1-2-1;2-1-1;..2.....1;1-2-1 |
70340 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | ;2-1-1;2-1-8;..3.....1;1-1-1;1-1 |
70360 | 2d 38 3b 32 2d 32 2d 31 3b 00 02 34 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 | -8;2-2-1;..4.....8;1-2-1;2-2-1;. |
70380 | 02 35 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 | .5.....1;1-1-1;1-1-8;2-1-1;2-1-8 |
703a0 | 3b 00 02 36 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 38 3b 00 02 37 | ;..6.....1;1-1-1;1-1-8;2-1-8;..7 |
703c0 | 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 09 00 | .....8;1-1-1;2-1-1;....smiles... |
703e0 | 00 00 43 43 43 43 4f 43 43 4f 00 02 69 6e 63 68 69 00 30 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | ..CCCCOCCO..inchi.0...InChI=1S/C |
70400 | 36 48 31 34 4f 32 2f 63 31 2d 32 2d 33 2d 35 2d 38 2d 36 2d 34 2d 37 2f 68 37 48 2c 32 2d 36 48 | 6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H |
70420 | 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 b3 d1 65 46 50 01 00 00 09 63 72 65 61 74 | 2,1H3..updated_at...eFP....creat |
70440 | 65 64 5f 61 74 00 b2 d1 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at...eFP....default_fingerpri |
70460 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 f4 01 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 | nt_size..........._id.V..)+r.+@. |
70480 | 03 30 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 22 | .0.warnings.......fingerprints." |
704a0 | 01 00 00 04 4d 50 32 44 00 17 01 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d | ....MP2D......0.....8;1-1-1;2-1- |
704c0 | 31 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 35 3b 00 02 | 1;..1.....1;1-1-1;1-1-8;2-1-5;.. |
704e0 | 32 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b | 2.....1;1-1-1;1-1-5;2-2-1;2-1-8; |
70500 | 00 02 33 00 0f 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 33 2d 31 3b 00 02 34 00 1b 00 00 00 31 3b | ..3.....5;1-3-1;2-3-1;..4.....1; |
70520 | 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 15 00 00 00 | 1-1-1;1-1-5;2-2-1;2-1-8;..5..... |
70540 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 35 3b 00 02 36 00 0f 00 00 00 38 3b 31 2d | 1;1-1-1;1-1-8;2-1-5;..6.....8;1- |
70560 | 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 37 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b | 1-1;2-1-1;..7.....1;1-1-1;1-1-5; |
70580 | 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 38 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 2-2-1;2-1-8;..8.....1;1-1-1;1-1- |
705a0 | 38 3b 32 2d 31 2d 35 3b 00 02 39 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 | 8;2-1-5;..9.....8;1-1-1;2-1-1;.. |
705c0 | 00 02 73 6d 69 6c 65 73 00 0d 00 00 00 4f 43 43 4e 28 43 43 4f 29 43 43 4f 00 02 69 6e 63 68 69 | ..smiles.....OCCN(CCO)CCO..inchi |
705e0 | 00 35 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 35 4e 4f 33 2f 63 38 2d 34 2d 31 2d 37 28 | .5...InChI=1S/C6H15NO3/c8-4-1-7( |
70600 | 32 2d 35 2d 39 29 33 2d 36 2d 31 30 2f 68 38 2d 31 30 48 2c 31 2d 36 48 32 00 09 75 70 64 61 74 | 2-5-9)3-6-10/h8-10H,1-6H2..updat |
70620 | 65 64 5f 61 74 00 bb d1 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 b9 d1 65 46 50 01 | ed_at...eFP....created_at...eFP. |
70640 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
70660 | 00 0a 02 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 31 04 77 61 72 6e 69 6e 67 73 00 | ......_id.V..)+r.+@..1.warnings. |
70680 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 2f 01 00 00 04 4d 50 32 44 00 24 01 00 | ......fingerprints./....MP2D.$.. |
706a0 | 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 | ..0.....15;1-1-3;2-2-3;..1.....3 |
706c0 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d | ;1-2-3;1-1-15;2-2-3;..2.....3;1- |
706e0 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 33 00 1d 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-2-3;2-2-15;..3.....3;1-2-3 |
70700 | 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 34 00 10 00 00 00 31 35 3b | ;1-1-15;2-2-3;2-1-19;..4.....15; |
70720 | 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 1-1-3;2-2-3;..5.....3;1-2-3;1-1- |
70740 | 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 36 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b | 19;2-2-3;2-2-15;..6.....3;1-2-3; |
70760 | 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 16 00 00 00 33 3b 31 2d | 1-1-15;2-2-3;2-1-19;..7.....3;1- |
70780 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 38 00 10 00 00 00 31 35 3b 31 2d 31 2d | 2-3;2-2-3;2-2-15;..8.....15;1-1- |
707a0 | 33 3b 32 2d 32 2d 33 3b 00 02 39 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | 3;2-2-3;..9.....19;1-1-3;2-2-3;. |
707c0 | 00 00 02 73 6d 69 6c 65 73 00 16 00 00 00 43 6c 63 31 63 63 28 43 6c 29 63 28 63 28 63 31 29 43 | ...smiles.....Clc1cc(Cl)c(c(c1)C |
707e0 | 6c 29 4e 00 02 69 6e 63 68 69 00 35 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 34 43 6c 33 4e | l)N..inchi.5...InChI=1S/C6H4Cl3N |
70800 | 2f 63 37 2d 33 2d 31 2d 34 28 38 29 36 28 31 30 29 35 28 39 29 32 2d 33 2f 68 31 2d 32 48 2c 31 | /c7-3-1-4(8)6(10)5(9)2-3/h1-2H,1 |
70820 | 30 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 c4 d1 65 46 50 01 00 00 09 63 72 65 61 74 65 64 | 0H2..updated_at...eFP....created |
70840 | 5f 61 74 00 c3 d1 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...eFP....default_fingerprint |
70860 | 5f 73 69 7a 65 00 00 00 00 00 00 1a 02 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 32 | _size..........._id.V..)+r.+@..2 |
70880 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 3d 01 00 | .warnings.......fingerprints.=.. |
708a0 | 00 04 4d 50 32 44 00 32 01 00 00 02 30 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | ..MP2D.2....0.....19;1-1-3;2-2-3 |
708c0 | 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 | ;..1.....3;1-2-3;1-1-19;2-2-3;.. |
708e0 | 32 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 31 | 2.....3;1-2-3;2-2-3;2-1-15;2-1-1 |
70900 | 39 3b 00 02 33 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 | 9;..3.....3;1-2-3;1-1-15;2-2-3;2 |
70920 | 2d 31 2d 31 39 3b 00 02 34 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 | -1-19;..4.....15;1-1-3;2-2-3;..5 |
70940 | 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 | .....3;1-2-3;1-1-19;2-2-3;2-2-15 |
70960 | 3b 00 02 36 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d | ;..6.....3;1-2-3;1-1-15;2-2-3;2- |
70980 | 31 2d 31 39 3b 00 02 37 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | 1-19;..7.....3;1-2-3;2-2-3;2-1-1 |
709a0 | 35 3b 32 2d 31 2d 31 39 3b 00 02 38 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b | 5;2-1-19;..8.....15;1-1-3;2-2-3; |
709c0 | 00 02 39 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 | ..9.....19;1-1-3;2-2-3;....smile |
709e0 | 73 00 15 00 00 00 4e 63 31 63 63 28 43 6c 29 63 28 63 28 63 31 29 43 6c 29 4e 00 02 69 6e 63 68 | s.....Nc1cc(Cl)c(c(c1)Cl)N..inch |
70a00 | 69 00 38 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 36 43 6c 32 4e 32 2f 63 37 2d 34 2d 31 2d | i.8...InChI=1S/C6H6Cl2N2/c7-4-1- |
70a20 | 33 28 39 29 32 2d 35 28 38 29 36 28 34 29 31 30 2f 68 31 2d 32 48 2c 39 2d 31 30 48 32 00 09 75 | 3(9)2-5(8)6(4)10/h1-2H,9-10H2..u |
70a40 | 70 64 61 74 65 64 5f 61 74 00 cb d1 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c9 d1 | pdated_at...eFP....created_at... |
70a60 | 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | eFP....default_fingerprint_size. |
70a80 | 00 00 00 00 00 ee 02 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 33 04 77 61 72 6e 69 | .........._id.V..)+r.+@..3.warni |
70aa0 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 fb 01 00 00 04 4d 50 32 44 | ngs.......fingerprints......MP2D |
70ac0 | 00 f0 01 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 | ......0.....1;1-1-19;2-1-3;2-1-6 |
70ae0 | 3b 00 02 31 00 29 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d | ;..1.)...19;1-1-1;1-1-3;1-1-6;2- |
70b00 | 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 32 00 30 00 00 00 33 3b 31 2d 31 2d 33 | 1-3;2-1-9;2-1-11;..2.0...3;1-1-3 |
70b20 | 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 | ;1-1-11;1-1-19;2-1-1;2-2-3;2-1-6 |
70b40 | 3b 32 2d 31 2d 31 31 3b 00 02 33 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 | ;2-1-11;..3.....11;1-2-3;2-1-3;2 |
70b60 | 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 34 00 10 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d | -1-11;2-1-19;..4.....3;1-2-11;2- |
70b80 | 32 2d 33 3b 00 02 35 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 | 2-3;..5.....11;1-2-3;2-1-3;2-2-1 |
70ba0 | 31 3b 00 02 36 00 24 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 32 2d 31 31 3b 32 2d 33 2d 33 3b 32 | 1;..6.$...3;1-1-3;1-2-11;2-3-3;2 |
70bc0 | 2d 31 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 02 37 00 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | -1-11;2-1-13;..7.$...3;1-2-3;1-1 |
70be0 | 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 33 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 38 00 17 00 00 00 | -11;2-1-3;2-3-11;2-1-19;..8..... |
70c00 | 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 39 00 17 00 00 00 33 3b | 11;1-2-3;2-2-3;2-1-11;..9.....3; |
70c20 | 31 2d 32 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 31 30 00 1e 00 00 00 31 31 3b | 1-2-11;2-2-3;2-1-13;..10.....11; |
70c40 | 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 31 00 11 | 1-2-3;1-1-13;2-1-3;2-2-11;..11.. |
70c60 | 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 32 00 1c 00 00 00 36 3b 31 2d | ...13;1-1-11;2-2-3;..12.....6;1- |
70c80 | 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 33 00 10 00 00 00 | 1-9;1-1-19;2-1-1;2-1-3;..13..... |
70ca0 | 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 18 00 00 00 43 4e | 9;1-1-6;2-1-19;....smiles.....CN |
70cc0 | 28 63 31 6e 63 6e 63 32 63 31 6e 63 5b 6e 48 5d 32 29 4e 3d 4f 00 02 69 6e 63 68 69 00 4b 00 00 | (c1ncnc2c1nc[nH]2)N=O..inchi.K.. |
70ce0 | 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 36 4e 36 4f 2f 63 31 2d 31 32 28 31 31 2d 31 33 29 36 2d | .InChI=1S/C6H6N6O/c1-12(11-13)6- |
70d00 | 34 2d 35 28 38 2d 32 2d 37 2d 34 29 39 2d 33 2d 31 30 2d 36 2f 68 32 2d 33 48 2c 31 48 33 2c 28 | 4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,( |
70d20 | 48 2c 37 2c 38 2c 39 2c 31 30 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 e2 d1 65 46 50 01 00 00 | H,7,8,9,10)..updated_at...eFP... |
70d40 | 09 63 72 65 61 74 65 64 5f 61 74 00 e0 d1 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at...eFP....default_fin |
70d60 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 18 02 00 00 07 5f 69 64 00 56 16 1e 29 | gerprint_size..........._id.V..) |
70d80 | 2b 72 ed 2b 40 00 03 34 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.+@..4.warnings.......fingerpr |
70da0 | 69 6e 74 73 00 40 01 00 00 04 4d 50 32 44 00 35 01 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d | ints.@....MP2D.5....0.....8;1-1- |
70dc0 | 31 3b 32 2d 31 2d 33 3b 00 02 31 00 1b 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d | 1;2-1-3;..1.....1;1-1-3;1-1-8;2- |
70de0 | 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b | 1-3;2-1-9;..2.!...3;1-1-1;1-1-3; |
70e00 | 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 00 15 00 00 00 39 3b 31 2d 32 2d | 1-1-9;2-2-3;2-1-8;..3.....9;1-2- |
70e20 | 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 1b 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d | 3;2-1-1;2-2-3;..4.....3;1-1-3;1- |
70e40 | 31 2d 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b | 1-9;2-2-3;2-1-8;..5.....3;1-2-3; |
70e60 | 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 02 36 00 1b 00 00 00 33 3b 31 2d 32 2d | 1-1-8;2-1-3;2-2-9;..6.....3;1-2- |
70e80 | 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 0f 00 00 00 39 3b 31 2d | 3;1-1-9;2-2-3;2-1-8;..7.....9;1- |
70ea0 | 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b | 1-3;2-2-3;..8.....3;1-2-3;2-1-1; |
70ec0 | 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 02 39 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d | 2-1-3;2-2-9;..9.....8;1-1-3;2-2- |
70ee0 | 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 12 00 00 00 4f 43 63 31 6f 63 63 28 63 28 3d 4f 29 63 31 | 3;....smiles.....OCc1occ(c(=O)c1 |
70f00 | 29 4f 00 02 69 6e 63 68 69 00 36 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 36 4f 34 2f 63 37 | )O..inchi.6...InChI=1S/C6H6O4/c7 |
70f20 | 2d 32 2d 34 2d 31 2d 35 28 38 29 36 28 39 29 33 2d 31 30 2d 34 2f 68 31 2c 33 2c 37 2c 39 48 2c | -2-4-1-5(8)6(9)3-10-4/h1,3,7,9H, |
70f40 | 32 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 f3 d1 65 46 50 01 00 00 09 63 72 65 61 74 65 64 | 2H2..updated_at...eFP....created |
70f60 | 5f 61 74 00 f2 d1 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...eFP....default_fingerprint |
70f80 | 5f 73 69 7a 65 00 00 00 00 00 00 2a 02 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 35 | _size......*...._id.V..)+r.+@..5 |
70fa0 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 4e 01 00 | .warnings.......fingerprints.N.. |
70fc0 | 00 04 4d 50 32 44 00 43 01 00 00 02 30 00 10 00 00 00 31 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 | ..MP2D.C....0.....19;1-1-6;2-1-2 |
70fe0 | 3b 00 02 31 00 1c 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d | ;..1.....6;1-1-2;1-1-19;2-1-3;2- |
71000 | 31 2d 39 3b 00 02 32 00 22 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b | 1-9;..2."...2;1-1-3;1-1-6;1-1-9; |
71020 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 | 2-2-3;2-1-19;..3.(...3;1-1-2;1-2 |
71040 | 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 34 00 | -3;2-1-3;2-1-6;2-1-9;2-1-11;..4. |
71060 | 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 35 00 16 00 00 00 | ....3;1-2-3;2-1-2;2-2-3;..5..... |
71080 | 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 36 00 16 00 00 00 33 3b 31 | 3;1-2-3;2-1-3;2-1-11;..6.....3;1 |
710a0 | 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 37 00 10 00 00 00 31 31 3b 31 2d 32 | -1-3;1-1-11;2-2-3;..7.....11;1-2 |
710c0 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 1c 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b | -3;2-2-3;..8.....3;1-1-3;1-1-11; |
710e0 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 39 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d | 2-1-2;2-2-3;..9.....9;1-1-2;2-1- |
71100 | 33 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 10 00 00 00 4e 4e 3d 43 28 63 31 63 63 | 3;2-1-6;....smiles.....NN=C(c1cc |
71120 | 63 6e 63 31 29 4f 00 02 69 6e 63 68 69 00 3c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 37 4e | cnc1)O..inchi.<...InChI=1S/C6H7N |
71140 | 33 4f 2f 63 37 2d 39 2d 36 28 31 30 29 35 2d 32 2d 31 2d 33 2d 38 2d 34 2d 35 2f 68 31 2d 34 48 | 3O/c7-9-6(10)5-2-1-3-8-4-5/h1-4H |
71160 | 2c 37 48 32 2c 28 48 2c 39 2c 31 30 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 09 d2 65 46 50 01 | ,7H2,(H,9,10)..updated_at...eFP. |
71180 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 07 d2 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at...eFP....default_f |
711a0 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 37 02 00 00 07 5f 69 64 00 56 16 | ingerprint_size......7...._id.V. |
711c0 | 1e 29 2b 72 ed 2b 40 00 03 36 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | .)+r.+@..6.warnings.......finger |
711e0 | 70 72 69 6e 74 73 00 58 01 00 00 04 4d 50 32 44 00 4d 01 00 00 02 30 00 10 00 00 00 31 39 3b 31 | prints.X....MP2D.M....0.....19;1 |
71200 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | -1-3;2-2-3;..1.....3;1-2-3;1-1-1 |
71220 | 39 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | 9;2-2-3;..2.....3;1-2-3;2-2-3;2- |
71240 | 31 2d 31 39 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | 1-19;..3.....3;1-2-3;2-2-3;2-1-1 |
71260 | 39 3b 00 02 34 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 | 9;..4.....3;1-2-3;1-1-19;2-2-3;2 |
71280 | 2d 31 2d 31 39 3b 00 02 35 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 | -1-19;..5.#...3;1-2-3;1-1-19;2-2 |
712a0 | 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-2-9;2-1-19;..6.....3;1-2-3; |
712c0 | 32 2d 32 2d 33 3b 32 2d 32 2d 31 39 3b 00 02 37 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d | 2-2-3;2-2-19;..7.....19;1-1-3;1- |
712e0 | 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 38 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 | 2-9;2-2-3;..8.....9;1-1-19;2-1-3 |
71300 | 3b 32 2d 31 2d 39 3b 00 02 39 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d | ;2-1-9;..9.....9;1-1-19;2-1-3;2- |
71320 | 31 2d 39 3b 00 02 31 30 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 | 1-9;..10.....19;1-1-3;2-2-3;.... |
71340 | 73 6d 69 6c 65 73 00 16 00 00 00 4e 63 31 63 63 63 28 63 28 63 31 29 4e 28 3d 4f 29 3d 4f 29 4e | smiles.....Nc1ccc(c(c1)N(=O)=O)N |
71360 | 00 02 69 6e 63 68 69 00 39 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 37 4e 33 4f 32 2f 63 37 | ..inchi.9...InChI=1S/C6H7N3O2/c7 |
71380 | 2d 34 2d 31 2d 32 2d 35 28 38 29 36 28 33 2d 34 29 39 28 31 30 29 31 31 2f 68 31 2d 33 48 2c 37 | -4-1-2-5(8)6(3-4)9(10)11/h1-3H,7 |
713a0 | 2d 38 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 10 d2 65 46 50 01 00 00 09 63 72 65 61 74 65 | -8H2..updated_at...eFP....create |
713c0 | 64 5f 61 74 00 0f d2 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at...eFP....default_fingerprin |
713e0 | 74 5f 73 69 7a 65 00 00 00 00 00 00 ad 01 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 | t_size..........._id.V..)+r.+@.. |
71400 | 37 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 e3 00 | 7.warnings.......fingerprints... |
71420 | 00 00 04 4d 50 32 44 00 d8 00 00 00 02 30 00 10 00 00 00 35 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d | ...MP2D......0.....5;1-1-19;2-1- |
71440 | 33 3b 00 02 31 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 35 3b 32 2d 32 2d 33 3b 00 | 3;..1.....19;1-1-3;1-1-5;2-2-3;. |
71460 | 02 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d | .2.....3;1-2-3;1-1-19;2-2-3;2-1- |
71480 | 35 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 | 5;..3.....3;1-2-3;2-2-3;2-1-19;. |
714a0 | 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 | .4.....3;1-2-3;2-2-3;..5.....3;1 |
714c0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -2-3;2-2-3;..6.....3;1-2-3;2-2-3 |
714e0 | 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 00 | ;..7.....3;1-2-3;2-2-3;2-1-19;.. |
71500 | 00 02 73 6d 69 6c 65 73 00 0b 00 00 00 4e 4e 63 31 63 63 63 63 63 31 00 02 69 6e 63 68 69 00 2f | ..smiles.....NNc1ccccc1..inchi./ |
71520 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 38 4e 32 2f 63 37 2d 38 2d 36 2d 34 2d 32 2d 31 2d | ...InChI=1S/C6H8N2/c7-8-6-4-2-1- |
71540 | 33 2d 35 2d 36 2f 68 31 2d 35 2c 38 48 2c 37 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 1a d2 | 3-5-6/h1-5,8H,7H2..updated_at... |
71560 | 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 19 d2 65 46 50 01 00 00 10 64 65 66 61 75 | eFP....created_at...eFP....defau |
71580 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 e1 01 00 00 07 5f 69 | lt_fingerprint_size..........._i |
715a0 | 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 38 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..)+r.+@..8.warnings.......fi |
715c0 | 6e 67 65 72 70 72 69 6e 74 73 00 0d 01 00 00 04 4d 50 32 44 00 02 01 00 00 02 30 00 10 00 00 00 | ngerprints......MP2D......0..... |
715e0 | 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 19;1-1-3;2-2-3;..1.....3;1-2-3;1 |
71600 | 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -1-19;2-2-3;..2.....3;1-2-3;2-2- |
71620 | 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 3;2-1-19;..3.....3;1-2-3;2-2-3;2 |
71640 | 2d 31 2d 38 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 | -1-8;..4.....3;1-2-3;1-1-8;2-2-3 |
71660 | 3b 32 2d 31 2d 31 39 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 | ;2-1-19;..5.....3;1-2-3;1-1-19;2 |
71680 | 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -2-3;2-1-8;..6.....3;1-2-3;2-2-3 |
716a0 | 3b 32 2d 32 2d 31 39 3b 00 02 37 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | ;2-2-19;..7.....19;1-1-3;2-2-3;. |
716c0 | 02 38 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 | .8.....8;1-1-3;2-2-3;....smiles. |
716e0 | 10 00 00 00 4e 63 31 63 63 63 28 63 28 63 31 29 4e 29 4f 00 02 69 6e 63 68 69 00 34 00 00 00 49 | ....Nc1ccc(c(c1)N)O..inchi.4...I |
71700 | 6e 43 68 49 3d 31 53 2f 43 36 48 38 4e 32 4f 2f 63 37 2d 34 2d 31 2d 32 2d 36 28 39 29 35 28 38 | nChI=1S/C6H8N2O/c7-4-1-2-6(9)5(8 |
71720 | 29 33 2d 34 2f 68 31 2d 33 2c 39 48 2c 37 2d 38 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 21 | )3-4/h1-3,9H,7-8H2..updated_at.! |
71740 | d2 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 1f d2 65 46 50 01 00 00 10 64 65 66 61 | .eFP....created_at...eFP....defa |
71760 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 d0 01 00 00 07 5f | ult_fingerprint_size..........._ |
71780 | 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 39 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..)+r.+@..9.warnings.......f |
717a0 | 69 6e 67 65 72 70 72 69 6e 74 73 00 00 01 00 00 04 4d 50 32 44 00 f5 00 00 00 02 30 00 0f 00 00 | ingerprints......MP2D......0.... |
717c0 | 00 35 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 00 02 31 00 15 00 00 00 35 3b 31 2d 31 2d 31 3b 31 | .5;1-1-5;2-1-1;..1.....5;1-1-1;1 |
717e0 | 2d 31 2d 35 3b 32 2d 31 2d 33 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 35 | -1-5;2-1-3;..2.....1;1-1-3;1-1-5 |
71800 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 00 02 33 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 | ;2-2-3;2-1-5;..3.....3;1-1-1;1-2 |
71820 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | -3;2-2-3;2-1-5;..4.....3;1-2-3;2 |
71840 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -1-1;2-2-3;..5.....3;1-2-3;2-2-3 |
71860 | 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 0f 00 00 00 33 | ;..6.....3;1-2-3;2-2-3;..7.....3 |
71880 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | ;1-2-3;2-2-3;..8.....3;1-2-3;2-1 |
718a0 | 2d 31 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 0c 00 00 00 4e 4e 43 63 31 63 63 63 | -1;2-2-3;....smiles.....NNCc1ccc |
718c0 | 63 63 31 00 02 69 6e 63 68 69 00 34 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 31 30 4e 32 2f | cc1..inchi.4...InChI=1S/C7H10N2/ |
718e0 | 63 38 2d 39 2d 36 2d 37 2d 34 2d 32 2d 31 2d 33 2d 35 2d 37 2f 68 31 2d 35 2c 39 48 2c 36 2c 38 | c8-9-6-7-4-2-1-3-5-7/h1-5,9H,6,8 |
71900 | 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 3b d2 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | H2..updated_at.;.eFP....created_ |
71920 | 61 74 00 39 d2 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at.9.eFP....default_fingerprint_ |
71940 | 73 69 7a 65 00 00 00 00 00 00 19 02 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 3a 04 | size..........._id.V..)+r.+@..:. |
71960 | 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 40 01 00 00 | warnings.......fingerprints.@... |
71980 | 04 4d 50 32 44 00 35 01 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b | .MP2D.5....0.....1;1-1-28;2-1-2; |
719a0 | 32 2d 31 2d 36 3b 00 02 31 00 22 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 | 2-1-6;..1."...28;1-1-1;1-1-2;1-1 |
719c0 | 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 32 00 1c 00 00 00 36 3b 31 2d 31 2d 32 3b 31 | -6;2-1-2;2-1-9;..2.....6;1-1-2;1 |
719e0 | 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 00 1c 00 00 00 32 3b 31 2d 31 2d | -1-28;2-2-1;2-1-2;..3.....2;1-1- |
71a00 | 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 34 00 1b 00 00 00 31 3b 31 | 1;1-1-6;2-1-1;2-1-28;..4.....1;1 |
71a20 | 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 35 00 15 00 00 00 31 | -1-1;1-1-2;2-1-1;2-1-6;..5.....1 |
71a40 | 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 36 00 0f 00 00 00 31 3b 31 2d 32 | ;1-2-1;2-1-1;2-1-2;..6.....1;1-2 |
71a60 | 2d 31 3b 32 2d 31 2d 31 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 | -1;2-1-1;..7.....1;1-1-1;2-1-1;. |
71a80 | 02 38 00 1c 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d | .8.....2;1-1-9;1-1-28;2-1-1;2-1- |
71aa0 | 36 3b 00 02 39 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 6d 69 | 6;..9.....9;1-1-2;2-1-28;....smi |
71ac0 | 6c 65 73 00 0f 00 00 00 43 4e 28 4e 3d 43 43 43 43 43 29 43 3d 4f 00 02 69 6e 63 68 69 00 3a 00 | les.....CN(N=CCCCC)C=O..inchi.:. |
71ae0 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 31 34 4e 32 4f 2f 63 31 2d 33 2d 34 2d 35 2d 36 2d 38 | ..InChI=1S/C7H14N2O/c1-3-4-5-6-8 |
71b00 | 2d 39 28 32 29 37 2d 31 30 2f 68 36 2d 37 48 2c 33 2d 35 48 32 2c 31 2d 32 48 33 00 09 75 70 64 | -9(2)7-10/h6-7H,3-5H2,1-2H3..upd |
71b20 | 61 74 65 64 5f 61 74 00 49 d2 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 47 d2 65 46 | ated_at.I.eFP....created_at.G.eF |
71b40 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
71b60 | 00 00 00 13 02 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 3b 04 77 61 72 6e 69 6e 67 | ........_id.V..)+r.+@..;.warning |
71b80 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 3a 01 00 00 04 4d 50 32 44 00 2f | s.......fingerprints.:....MP2D./ |
71ba0 | 01 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 02 31 00 1c 00 00 | ....0.....9;1-1-2;2-1-28;..1.... |
71bc0 | 00 32 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 32 00 | .2;1-1-9;1-1-28;2-1-1;2-1-6;..2. |
71be0 | 22 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 | "...28;1-1-1;1-1-2;1-1-6;2-1-2;2 |
71c00 | 2d 31 2d 39 3b 00 02 33 00 1c 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d | -1-9;..3.....6;1-1-2;1-1-28;2-2- |
71c20 | 31 3b 32 2d 31 2d 32 3b 00 02 34 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 32 2d | 1;2-1-2;..4.....2;1-1-1;1-1-6;2- |
71c40 | 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 35 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | 1-1;2-1-28;..5.....1;1-1-1;1-1-2 |
71c60 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 36 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 | ;2-2-1;2-1-6;..6.....1;1-3-1;2-1 |
71c80 | 2d 32 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 38 00 0f 00 00 | -2;..7.....1;1-1-1;2-2-1;..8.... |
71ca0 | 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 39 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b | .1;1-1-1;2-2-1;..9.....1;1-1-28; |
71cc0 | 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 11 00 00 00 4f 3d 43 4e 28 | 2-1-2;2-1-6;....smiles.....O=CN( |
71ce0 | 4e 3d 43 43 43 28 43 29 43 29 43 00 02 69 6e 63 68 69 00 38 00 00 00 49 6e 43 68 49 3d 31 53 2f | N=CCC(C)C)C..inchi.8...InChI=1S/ |
71d00 | 43 37 48 31 34 4e 32 4f 2f 63 31 2d 37 28 32 29 34 2d 35 2d 38 2d 39 28 33 29 36 2d 31 30 2f 68 | C7H14N2O/c1-7(2)4-5-8-9(3)6-10/h |
71d20 | 35 2d 37 48 2c 34 48 32 2c 31 2d 33 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 52 d2 65 46 50 | 5-7H,4H2,1-3H3..updated_at.R.eFP |
71d40 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 4f d2 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.O.eFP....default_ |
71d60 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 da 01 00 00 07 5f 69 64 00 56 | fingerprint_size..........._id.V |
71d80 | 16 1e 29 2b 72 ed 2b 40 00 03 3c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..)+r.+@..<.warnings.......finge |
71da0 | 72 70 72 69 6e 74 73 00 06 01 00 00 04 4d 50 32 44 00 fb 00 00 00 02 30 00 15 00 00 00 31 3b 31 | rprints......MP2D......0.....1;1 |
71dc0 | 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 | -1-1;2-1-1;2-1-8;..1.....1;1-2-1 |
71de0 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 38 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | ;1-1-8;2-1-8;..2.....1;1-1-1;1-1 |
71e00 | 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 | -8;2-2-1;2-1-8;..3.....8;1-2-1;2 |
71e20 | 2d 34 2d 31 3b 00 02 34 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 | -4-1;..4.....1;1-3-1;1-1-8;2-1-1 |
71e40 | 3b 00 02 35 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 36 | ;..5.....1;1-1-1;2-2-1;2-1-8;..6 |
71e60 | 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 37 00 15 00 00 | .....1;1-1-1;2-2-1;2-1-8;..7.... |
71e80 | 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 38 00 0f 00 00 00 38 3b 31 | .1;1-1-1;2-2-1;2-1-8;..8.....8;1 |
71ea0 | 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 10 00 00 00 43 43 28 43 4f 43 | -1-1;2-2-1;....smiles.....CC(COC |
71ec0 | 28 43 29 28 43 29 43 29 4f 00 02 69 6e 63 68 69 00 34 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 | (C)(C)C)O..inchi.4...InChI=1S/C7 |
71ee0 | 48 31 36 4f 32 2f 63 31 2d 36 28 38 29 35 2d 39 2d 37 28 32 2c 33 29 34 2f 68 36 2c 38 48 2c 35 | H16O2/c1-6(8)5-9-7(2,3)4/h6,8H,5 |
71f00 | 48 32 2c 31 2d 34 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 62 d2 65 46 50 01 00 00 09 63 72 | H2,1-4H3..updated_at.b.eFP....cr |
71f20 | 65 61 74 65 64 5f 61 74 00 60 d2 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at.`.eFP....default_finger |
71f40 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 7d 02 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed | print_size......}...._id.V..)+r. |
71f60 | 2b 40 00 03 3d 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | +@..=.warnings.......fingerprint |
71f80 | 73 00 8c 01 00 00 04 4d 50 32 44 00 81 01 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b | s......MP2D......0.....15;1-1-3; |
71fa0 | 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 | 2-2-3;..1.....3;1-2-3;1-1-15;2-2 |
71fc0 | 2d 33 3b 00 02 32 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b | -3;..2.....3;1-2-3;2-2-3;2-1-15; |
71fe0 | 32 2d 31 2d 31 39 3b 00 02 33 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d | 2-1-19;..3.....3;1-2-3;1-1-19;2- |
72000 | 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 34 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d | 2-3;2-1-15;..4.....19;1-1-3;2-2- |
72020 | 33 3b 00 02 35 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 32 3b 32 | 3;..5.#...3;1-2-3;1-1-15;2-1-2;2 |
72040 | 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 36 00 23 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d | -2-3;2-1-19;..6.#...3;1-1-2;1-2- |
72060 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 32 2d 32 2d 33 32 3b 00 02 37 00 1c 00 00 00 33 3b | 3;2-2-3;2-1-15;2-2-32;..7.....3; |
72080 | 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 38 00 16 00 00 | 1-2-3;2-1-2;2-2-3;2-1-15;..8.... |
720a0 | 00 32 3b 31 2d 31 2d 33 3b 31 2d 32 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 39 00 17 00 00 00 33 32 | .2;1-1-3;1-2-32;2-2-3;..9.....32 |
720c0 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 30 00 17 00 00 00 33 32 3b | ;1-1-2;2-1-3;2-1-32;..10.....32; |
720e0 | 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 31 00 10 00 00 00 31 35 3b 31 | 1-1-2;2-1-3;2-1-32;..11.....15;1 |
72100 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1a 00 00 00 43 6c 63 31 63 63 | -1-3;2-2-3;....smiles.....Clc1cc |
72120 | 28 4e 29 63 28 63 28 63 31 29 43 28 3d 4f 29 4f 29 43 6c 00 02 69 6e 63 68 69 00 47 00 00 00 49 | (N)c(c(c1)C(=O)O)Cl..inchi.G...I |
72140 | 6e 43 68 49 3d 31 53 2f 43 37 48 35 43 6c 32 4e 4f 32 2f 63 38 2d 33 2d 31 2d 34 28 37 28 31 31 | nChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11 |
72160 | 29 31 32 29 36 28 39 29 35 28 31 30 29 32 2d 33 2f 68 31 2d 32 48 2c 31 30 48 32 2c 28 48 2c 31 | )12)6(9)5(10)2-3/h1-2H,10H2,(H,1 |
72180 | 31 2c 31 32 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 69 d2 65 46 50 01 00 00 09 63 72 65 61 74 | 1,12)..updated_at.i.eFP....creat |
721a0 | 65 64 5f 61 74 00 67 d2 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at.g.eFP....default_fingerpri |
721c0 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 f7 01 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 | nt_size..........._id.V..)+r.+@. |
721e0 | 03 3e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 24 | .>.warnings.......fingerprints.$ |
72200 | 01 00 00 04 4d 50 32 44 00 19 01 00 00 02 30 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 | ....MP2D......0.....15;1-1-1;2-1 |
72220 | 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 35 | -3;2-2-15;..1.....1;1-1-3;1-3-15 |
72240 | 3b 32 2d 32 2d 33 3b 00 02 32 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 | ;2-2-3;..2.....3;1-1-1;1-2-3;2-2 |
72260 | 2d 33 3b 32 2d 33 2d 31 35 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b | -3;2-3-15;..3.....3;1-2-3;2-1-1; |
72280 | 32 2d 32 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 | 2-2-3;..4.....3;1-2-3;2-2-3;..5. |
722a0 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d | ....3;1-2-3;2-2-3;..6.....3;1-2- |
722c0 | 33 3b 32 2d 32 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | 3;2-2-3;..7.....3;1-2-3;2-1-1;2- |
722e0 | 32 2d 33 3b 00 02 38 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 | 2-3;..8.....15;1-1-1;2-1-3;2-2-1 |
72300 | 35 3b 00 02 39 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 35 3b | 5;..9.....15;1-1-1;2-1-3;2-2-15; |
72320 | 00 00 00 02 73 6d 69 6c 65 73 00 14 00 00 00 43 6c 43 28 63 31 63 63 63 63 63 31 29 28 43 6c 29 | ....smiles.....ClC(c1ccccc1)(Cl) |
72340 | 43 6c 00 02 69 6e 63 68 69 00 2f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 35 43 6c 33 2f 63 | Cl..inchi./...InChI=1S/C7H5Cl3/c |
72360 | 38 2d 37 28 39 2c 31 30 29 36 2d 34 2d 32 2d 31 2d 33 2d 35 2d 36 2f 68 31 2d 35 48 00 09 75 70 | 8-7(9,10)6-4-2-1-3-5-6/h1-5H..up |
72380 | 64 61 74 65 64 5f 61 74 00 6f d2 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 6e d2 65 | dated_at.o.eFP....created_at.n.e |
723a0 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
723c0 | 00 00 00 00 9d 02 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 3f 04 77 61 72 6e 69 6e | ........._id.V..)+r.+@..?.warnin |
723e0 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b3 01 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
72400 | a8 01 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b | .....0.....9;1-1-19;2-1-3;2-1-9; |
72420 | 00 02 31 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 32 | ..1.....19;1-1-3;1-2-9;2-2-3;..2 |
72440 | 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 1c 00 | .....9;1-1-19;2-1-3;2-1-9;..3... |
72460 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 34 | ..3;1-2-3;1-1-19;2-2-3;2-2-9;..4 |
72480 | 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 35 00 16 00 | .....3;1-2-3;2-2-3;2-1-19;..5... |
724a0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 36 00 1d 00 00 00 33 | ..3;1-2-3;2-2-3;2-1-11;..6.....3 |
724c0 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 37 00 24 | ;1-2-3;1-1-11;2-3-3;2-1-11;..7.$ |
724e0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 32 | ...3;1-2-3;1-1-11;2-3-3;2-1-11;2 |
72500 | 2d 31 2d 31 33 3b 00 02 38 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | -1-13;..8.....3;1-2-3;2-2-3;2-1- |
72520 | 31 31 3b 32 2d 31 2d 31 39 3b 00 02 39 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | 11;2-1-19;..9.....11;1-2-3;1-1-1 |
72540 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 | 3;2-2-3;2-1-11;..10.....13;1-1-1 |
72560 | 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d 33 3b | 1;2-2-3;..11.....3;1-2-11;2-2-3; |
72580 | 32 2d 31 2d 31 33 3b 00 02 31 32 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 2-1-13;..12.....11;1-2-3;2-2-3;2 |
725a0 | 2d 31 2d 31 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 1a 00 00 00 4f 3d 4e 28 3d 4f 29 63 31 63 63 | -1-11;....smiles.....O=N(=O)c1cc |
725c0 | 63 32 63 28 63 31 29 5b 6e 48 5d 63 6e 32 00 02 69 6e 63 68 69 00 40 00 00 00 49 6e 43 68 49 3d | c2c(c1)[nH]cn2..inchi.@...InChI= |
725e0 | 31 53 2f 43 37 48 35 4e 33 4f 32 2f 63 31 31 2d 31 30 28 31 32 29 35 2d 31 2d 32 2d 36 2d 37 28 | 1S/C7H5N3O2/c11-10(12)5-1-2-6-7( |
72600 | 33 2d 35 29 39 2d 34 2d 38 2d 36 2f 68 31 2d 34 48 2c 28 48 2c 38 2c 39 29 00 09 75 70 64 61 74 | 3-5)9-4-8-6/h1-4H,(H,8,9)..updat |
72620 | 65 64 5f 61 74 00 81 d2 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 76 d2 65 46 50 01 | ed_at...eFP....created_at.v.eFP. |
72640 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
72660 | 00 aa 01 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 40 04 77 61 72 6e 69 6e 67 73 00 | ......_id.V..)+r.+@..@.warnings. |
72680 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 e1 00 00 00 04 4d 50 32 44 00 d6 00 00 | ......fingerprints......MP2D.... |
726a0 | 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 00 16 00 00 00 31 | ..0.....15;1-1-1;2-1-3;..1.....1 |
726c0 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 32 00 1c 00 00 00 33 3b 31 2d | ;1-1-3;1-1-15;2-2-3;..2.....3;1- |
726e0 | 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 33 00 15 00 00 00 33 | 1-1;1-2-3;2-2-3;2-1-15;..3.....3 |
72700 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 32 | ;1-2-3;2-1-1;2-2-3;..4.....3;1-2 |
72720 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | -3;2-2-3;..5.....3;1-2-3;2-2-3;. |
72740 | 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 | .6.....3;1-2-3;2-2-3;..7.....3;1 |
72760 | 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 0c 00 00 00 | -2-3;2-1-1;2-2-3;....smiles..... |
72780 | 43 6c 43 63 31 63 63 63 63 63 31 00 02 69 6e 63 68 69 00 2d 00 00 00 49 6e 43 68 49 3d 31 53 2f | ClCc1ccccc1..inchi.-...InChI=1S/ |
727a0 | 43 37 48 37 43 6c 2f 63 38 2d 36 2d 37 2d 34 2d 32 2d 31 2d 33 2d 35 2d 37 2f 68 31 2d 35 48 2c | C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H, |
727c0 | 36 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 97 d2 65 46 50 01 00 00 09 63 72 65 61 74 65 64 | 6H2..updated_at...eFP....created |
727e0 | 5f 61 74 00 96 d2 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...eFP....default_fingerprint |
72800 | 5f 73 69 7a 65 00 00 00 00 00 00 e9 01 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 41 | _size..........._id.V..)+r.+@..A |
72820 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 14 01 00 | .warnings.......fingerprints.... |
72840 | 00 04 4d 50 32 44 00 09 01 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | ..MP2D......0.....15;1-1-3;2-2-3 |
72860 | 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 | ;..1.....3;1-2-3;1-1-15;2-2-3;.. |
72880 | 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 33 00 15 | 2.....3;1-2-3;2-2-3;2-1-15;..3.. |
728a0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 1c 00 00 00 33 | ...3;1-2-3;2-1-1;2-2-3;..4.....3 |
728c0 | 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 35 00 1c 00 | ;1-1-1;1-2-3;2-2-3;2-1-19;..5... |
728e0 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 | ..3;1-2-3;1-1-19;2-1-1;2-2-3;..6 |
72900 | 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 31 39 | .....3;1-2-3;2-2-3;2-1-15;2-1-19 |
72920 | 3b 00 02 37 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 00 | ;..7.....19;1-1-3;2-2-3;..8..... |
72940 | 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 11 00 00 00 43 6c 63 | 1;1-1-3;2-2-3;....smiles.....Clc |
72960 | 31 63 63 63 28 63 28 63 31 29 4e 29 43 00 02 69 6e 63 68 69 00 34 00 00 00 49 6e 43 68 49 3d 31 | 1ccc(c(c1)N)C..inchi.4...InChI=1 |
72980 | 53 2f 43 37 48 38 43 6c 4e 2f 63 31 2d 35 2d 32 2d 33 2d 36 28 38 29 34 2d 37 28 35 29 39 2f 68 | S/C7H8ClN/c1-5-2-3-6(8)4-7(5)9/h |
729a0 | 32 2d 34 48 2c 39 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 a9 d2 65 46 50 01 00 | 2-4H,9H2,1H3..updated_at...eFP.. |
729c0 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 a6 d2 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at...eFP....default_fi |
729e0 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 e9 01 00 00 07 5f 69 64 00 56 16 1e | ngerprint_size..........._id.V.. |
72a00 | 29 2b 72 ed 2b 40 00 03 42 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | )+r.+@..B.warnings.......fingerp |
72a20 | 72 69 6e 74 73 00 14 01 00 00 04 4d 50 32 44 00 09 01 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d | rints......MP2D......0.....15;1- |
72a40 | 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 | 1-3;2-2-3;..1.....3;1-2-3;1-1-15 |
72a60 | 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | ;2-2-3;..2.....3;1-2-3;2-2-3;2-1 |
72a80 | 2d 31 35 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 | -15;..3.....3;1-2-3;2-2-3;2-1-19 |
72aa0 | 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d | ;..4.....3;1-2-3;1-1-19;2-1-1;2- |
72ac0 | 32 2d 33 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | 2-3;..5.....3;1-1-1;1-2-3;2-2-3; |
72ae0 | 32 2d 31 2d 31 39 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 | 2-1-19;..6.....3;1-2-3;2-1-1;2-2 |
72b00 | 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b | -3;2-1-15;..7.....1;1-1-3;2-2-3; |
72b20 | 00 02 38 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 | ..8.....19;1-1-3;2-2-3;....smile |
72b40 | 73 00 11 00 00 00 43 6c 63 31 63 63 63 28 63 28 63 31 29 43 29 4e 00 02 69 6e 63 68 69 00 34 00 | s.....Clc1ccc(c(c1)C)N..inchi.4. |
72b60 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 38 43 6c 4e 2f 63 31 2d 35 2d 34 2d 36 28 38 29 32 2d | ..InChI=1S/C7H8ClN/c1-5-4-6(8)2- |
72b80 | 33 2d 37 28 35 29 39 2f 68 32 2d 34 48 2c 39 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 | 3-7(5)9/h2-4H,9H2,1H3..updated_a |
72ba0 | 74 00 b0 d2 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 af d2 65 46 50 01 00 00 10 64 | t...eFP....created_at...eFP....d |
72bc0 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 0d 02 00 | efault_fingerprint_size......... |
72be0 | 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 43 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V..)+r.+@..C.warnings..... |
72c00 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 31 01 00 00 04 4d 50 32 44 00 26 01 00 00 02 30 00 | ..fingerprints.1....MP2D.&....0. |
72c20 | 10 00 00 00 31 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 00 02 31 00 1c 00 00 00 36 3b 31 2d 31 | ....19;1-1-6;2-1-2;..1.....6;1-1 |
72c40 | 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 00 22 00 00 00 32 3b | -2;1-1-19;2-1-3;2-1-9;..2."...2; |
72c60 | 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 | 1-1-3;1-1-6;1-1-9;2-2-3;2-1-19;. |
72c80 | 02 33 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 | .3.!...3;1-1-2;1-2-3;2-2-3;2-1-6 |
72ca0 | 3b 32 2d 31 2d 39 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 | ;2-1-9;..4.....3;1-2-3;2-1-2;2-2 |
72cc0 | 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 0f 00 00 | -3;..5.....3;1-2-3;2-2-3;..6.... |
72ce0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | .3;1-2-3;2-2-3;..7.....3;1-2-3;2 |
72d00 | 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 | -2-3;..8.....3;1-2-3;2-1-2;2-2-3 |
72d20 | 3b 00 02 39 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 00 00 00 | ;..9.....9;1-1-2;2-1-3;2-1-6;... |
72d40 | 02 73 6d 69 6c 65 73 00 10 00 00 00 4e 4e 3d 43 28 63 31 63 63 63 63 63 31 29 4f 00 02 69 6e 63 | .smiles.....NN=C(c1ccccc1)O..inc |
72d60 | 68 69 00 3c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 38 4e 32 4f 2f 63 38 2d 39 2d 37 28 31 | hi.<...InChI=1S/C7H8N2O/c8-9-7(1 |
72d80 | 30 29 36 2d 34 2d 32 2d 31 2d 33 2d 35 2d 36 2f 68 31 2d 35 48 2c 38 48 32 2c 28 48 2c 39 2c 31 | 0)6-4-2-1-3-5-6/h1-5H,8H2,(H,9,1 |
72da0 | 30 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 b6 d2 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | 0)..updated_at...eFP....created_ |
72dc0 | 61 74 00 b5 d2 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at...eFP....default_fingerprint_ |
72de0 | 73 69 7a 65 00 00 00 00 00 00 35 02 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 44 04 | size......5...._id.V..)+r.+@..D. |
72e00 | 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 54 01 00 00 | warnings.......fingerprints.T... |
72e20 | 04 4d 50 32 44 00 49 01 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b | .MP2D.I....0.....9;1-1-19;2-1-3; |
72e40 | 32 2d 31 2d 39 3b 00 02 31 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 | 2-1-9;..1.....19;1-1-3;1-2-9;2-2 |
72e60 | 2d 33 3b 00 02 32 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b | -3;..2.....9;1-1-19;2-1-3;2-1-9; |
72e80 | 00 02 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 | ..3.....3;1-2-3;1-1-19;2-2-3;2-2 |
72ea0 | 2d 39 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b | -9;..4.....3;1-2-3;2-2-3;2-1-19; |
72ec0 | 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 | ..5.....3;1-2-3;2-1-1;2-2-3;..6. |
72ee0 | 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 | ....3;1-1-1;1-2-3;2-2-3;2-1-19;. |
72f00 | 02 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d | .7.....3;1-2-3;1-1-19;2-1-1;2-2- |
72f20 | 33 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 39 3b 00 | 3;..8.....3;1-2-3;2-2-3;2-2-19;. |
72f40 | 02 39 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 0f 00 00 00 31 | .9.....19;1-1-3;2-2-3;..10.....1 |
72f60 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 16 00 00 00 4f 3d 4e 28 | ;1-1-3;2-2-3;....smiles.....O=N( |
72f80 | 3d 4f 29 63 31 63 63 63 28 63 28 63 31 29 4e 29 43 00 02 69 6e 63 68 69 00 3b 00 00 00 49 6e 43 | =O)c1ccc(c(c1)N)C..inchi.;...InC |
72fa0 | 68 49 3d 31 53 2f 43 37 48 38 4e 32 4f 32 2f 63 31 2d 35 2d 32 2d 33 2d 36 28 39 28 31 30 29 31 | hI=1S/C7H8N2O2/c1-5-2-3-6(9(10)1 |
72fc0 | 31 29 34 2d 37 28 35 29 38 2f 68 32 2d 34 48 2c 38 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 | 1)4-7(5)8/h2-4H,8H2,1H3..updated |
72fe0 | 5f 61 74 00 bd d2 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 bc d2 65 46 50 01 00 00 | _at...eFP....created_at...eFP... |
73000 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 3c | .default_fingerprint_size......< |
73020 | 02 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 45 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..)+r.+@..E.warnings... |
73040 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 56 01 00 00 04 4d 50 32 44 00 4b 01 00 00 02 | ....fingerprints.V....MP2D.K.... |
73060 | 30 00 10 00 00 00 35 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 00 02 31 00 16 00 00 00 31 39 3b | 0.....5;1-1-19;2-1-3;..1.....19; |
73080 | 31 2d 31 2d 33 3b 31 2d 31 2d 35 3b 32 2d 32 2d 33 3b 00 02 32 00 1c 00 00 00 33 3b 31 2d 32 2d | 1-1-3;1-1-5;2-2-3;..2.....3;1-2- |
730a0 | 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 00 02 33 00 16 00 00 00 33 3b 31 | 3;1-1-19;2-2-3;2-1-5;..3.....3;1 |
730c0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d | -2-3;2-2-3;2-1-19;..4.....3;1-2- |
730e0 | 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d | 3;2-1-2;2-2-3;..5.....3;1-1-2;1- |
73100 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 33 32 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-2-3;2-2-32;..6.....3;1-2-3 |
73120 | 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | ;2-1-2;2-2-3;..7.....3;1-2-3;2-2 |
73140 | 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 38 00 16 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 32 2d 33 32 | -3;2-1-19;..8.....2;1-1-3;1-2-32 |
73160 | 3b 32 2d 32 2d 33 3b 00 02 39 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d | ;2-2-3;..9.....32;1-1-2;2-1-3;2- |
73180 | 31 2d 33 32 3b 00 02 31 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 | 1-32;..10.....32;1-1-2;2-1-3;2-1 |
731a0 | 2d 33 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 13 00 00 00 4e 4e 63 31 63 63 63 28 63 63 31 29 43 | -32;....smiles.....NNc1ccc(cc1)C |
731c0 | 28 3d 4f 29 4f 00 02 69 6e 63 68 69 00 43 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 38 4e 32 | (=O)O..inchi.C...InChI=1S/C7H8N2 |
731e0 | 4f 32 2f 63 38 2d 39 2d 36 2d 33 2d 31 2d 35 28 32 2d 34 2d 36 29 37 28 31 30 29 31 31 2f 68 31 | O2/c8-9-6-3-1-5(2-4-6)7(10)11/h1 |
73200 | 2d 34 2c 39 48 2c 38 48 32 2c 28 48 2c 31 30 2c 31 31 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 | -4,9H,8H2,(H,10,11)..updated_at. |
73220 | c4 d2 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c2 d2 65 46 50 01 00 00 10 64 65 66 | ..eFP....created_at...eFP....def |
73240 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 b5 01 00 00 07 | ault_fingerprint_size........... |
73260 | 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 46 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..)+r.+@..F.warnings....... |
73280 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 e8 00 00 00 04 4d 50 32 44 00 dd 00 00 00 02 30 00 0f 00 | fingerprints......MP2D......0... |
732a0 | 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b | ..1;1-1-3;2-2-3;..1.....3;1-1-1; |
732c0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 1-2-3;2-2-3;..2.....3;1-2-3;2-1- |
732e0 | 31 3b 32 2d 32 2d 33 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | 1;2-2-3;..3.....3;1-2-3;2-2-3;2- |
73300 | 31 2d 31 39 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d | 1-19;..4.....3;1-2-3;1-1-19;2-2- |
73320 | 33 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 | 3;..5.....3;1-2-3;2-2-3;2-1-19;. |
73340 | 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 10 | .6.....3;1-2-3;2-1-1;2-2-3;..7.. |
73360 | 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 0d 00 00 | ...19;1-1-3;2-2-3;....smiles.... |
73380 | 00 43 63 31 63 63 63 28 63 63 31 29 4e 00 02 69 6e 63 68 69 00 30 00 00 00 49 6e 43 68 49 3d 31 | .Cc1ccc(cc1)N..inchi.0...InChI=1 |
733a0 | 53 2f 43 37 48 39 4e 2f 63 31 2d 36 2d 32 2d 34 2d 37 28 38 29 35 2d 33 2d 36 2f 68 32 2d 35 48 | S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H |
733c0 | 2c 38 48 32 2c 31 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 d6 d2 65 46 50 01 00 00 09 63 72 | ,8H2,1H3..updated_at...eFP....cr |
733e0 | 65 61 74 65 64 5f 61 74 00 d4 d2 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at...eFP....default_finger |
73400 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 b5 01 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed | print_size..........._id.V..)+r. |
73420 | 2b 40 00 03 47 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | +@..G.warnings.......fingerprint |
73440 | 73 00 e8 00 00 00 04 4d 50 32 44 00 dd 00 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 | s......MP2D......0.....1;1-1-3;2 |
73460 | 2d 32 2d 33 3b 00 02 31 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -2-3;..1.....3;1-1-1;1-2-3;2-2-3 |
73480 | 3b 00 02 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 | ;..2.....3;1-2-3;2-1-1;2-2-3;..3 |
734a0 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 32 | .....3;1-2-3;2-2-3;..4.....3;1-2 |
734c0 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-2-3;2-1-19;..5.....3;1-2-3; |
734e0 | 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | 1-1-19;2-2-3;..6.....3;1-2-3;2-1 |
73500 | 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 | -1;2-2-3;2-1-19;..7.....19;1-1-3 |
73520 | 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 0d 00 00 00 43 63 31 63 63 63 63 28 63 31 | ;2-2-3;....smiles.....Cc1cccc(c1 |
73540 | 29 4e 00 02 69 6e 63 68 69 00 30 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 39 4e 2f 63 31 2d | )N..inchi.0...InChI=1S/C7H9N/c1- |
73560 | 36 2d 33 2d 32 2d 34 2d 37 28 38 29 35 2d 36 2f 68 32 2d 35 48 2c 38 48 32 2c 31 48 33 00 09 75 | 6-3-2-4-7(8)5-6/h2-5H,8H2,1H3..u |
73580 | 70 64 61 74 65 64 5f 61 74 00 dc d2 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 db d2 | pdated_at...eFP....created_at... |
735a0 | 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | eFP....default_fingerprint_size. |
735c0 | 00 00 00 00 00 3f 02 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 48 04 77 61 72 6e 69 | .....?...._id.V..)+r.+@..H.warni |
735e0 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 5d 01 00 00 04 4d 50 32 44 | ngs.......fingerprints.]....MP2D |
73600 | 00 52 01 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 | .R....0.....9;1-1-2;2-1-6;2-1-19 |
73620 | 3b 00 02 31 00 1d 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d | ;..1.....2;1-1-6;1-1-9;1-1-19;2- |
73640 | 31 2d 31 39 3b 00 02 32 00 16 00 00 00 36 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 | 1-19;..2.....6;1-1-2;2-1-9;2-1-1 |
73660 | 39 3b 00 02 33 00 23 00 00 00 31 39 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b | 9;..3.#...19;1-1-2;1-1-19;2-1-3; |
73680 | 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 34 00 1d 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 | 2-1-6;2-1-9;..4.....19;1-1-3;1-1 |
736a0 | 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 35 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b | -19;2-1-2;2-2-3;..5.....3;1-2-3; |
736c0 | 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 36 00 16 00 00 00 33 3b 31 2d | 1-1-19;2-2-3;2-1-19;..6.....3;1- |
736e0 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-2-3;2-1-19;..7.....3;1-2-3 |
73700 | 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 | ;2-2-3;..8.....3;1-2-3;2-2-3;..9 |
73720 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d | .....3;1-2-3;2-2-3;..10.....3;1- |
73740 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 11 00 00 00 | 2-3;2-2-3;2-1-19;....smiles..... |
73760 | 4f 43 28 3d 4e 29 4e 4e 63 31 63 63 63 63 63 31 00 02 69 6e 63 68 69 00 41 00 00 00 49 6e 43 68 | OC(=N)NNc1ccccc1..inchi.A...InCh |
73780 | 49 3d 31 53 2f 43 37 48 39 4e 33 4f 2f 63 38 2d 37 28 31 31 29 31 30 2d 39 2d 36 2d 34 2d 32 2d | I=1S/C7H9N3O/c8-7(11)10-9-6-4-2- |
737a0 | 31 2d 33 2d 35 2d 36 2f 68 31 2d 35 2c 39 48 2c 28 48 33 2c 38 2c 31 30 2c 31 31 29 00 09 75 70 | 1-3-5-6/h1-5,9H,(H3,8,10,11)..up |
737c0 | 64 61 74 65 64 5f 61 74 00 e7 d2 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e5 d2 65 | dated_at...eFP....created_at...e |
737e0 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
73800 | 00 00 00 00 45 02 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 49 04 77 61 72 6e 69 6e | ....E...._id.V..)+r.+@..I.warnin |
73820 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 5e 01 00 00 04 4d 50 32 44 00 | gs.......fingerprints.^....MP2D. |
73840 | 53 01 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b | S....0.....9;1-1-2;2-1-6;2-1-19; |
73860 | 00 02 31 00 1c 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 | ..1.....2;1-1-6;1-1-9;1-1-19;2-1 |
73880 | 2d 33 3b 00 02 32 00 16 00 00 00 36 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b | -3;..2.....6;1-1-2;2-1-9;2-1-19; |
738a0 | 00 02 33 00 22 00 00 00 31 39 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | ..3."...19;1-1-2;1-1-3;2-2-3;2-1 |
738c0 | 2d 36 3b 32 2d 31 2d 39 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b | -6;2-1-9;..4.....3;1-2-3;1-1-19; |
738e0 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-1-2;2-2-3;..5.....3;1-2-3;2-2- |
73900 | 33 3b 32 2d 31 2d 31 39 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 | 3;2-1-19;..6.....3;1-2-3;2-1-1;2 |
73920 | 2d 32 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -2-3;..7.....3;1-1-1;1-2-3;2-2-3 |
73940 | 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 | ;..8.....3;1-2-3;2-1-1;2-2-3;..9 |
73960 | 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 0f | .....3;1-2-3;2-2-3;2-1-19;..10.. |
73980 | 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 13 00 00 00 | ...1;1-1-3;2-2-3;....smiles..... |
739a0 | 4f 43 28 3d 4e 29 4e 63 31 63 63 63 28 63 63 31 29 43 00 02 69 6e 63 68 69 00 44 00 00 00 49 6e | OC(=N)Nc1ccc(cc1)C..inchi.D...In |
739c0 | 43 68 49 3d 31 53 2f 43 38 48 31 30 4e 32 4f 2f 63 31 2d 36 2d 32 2d 34 2d 37 28 35 2d 33 2d 36 | ChI=1S/C8H10N2O/c1-6-2-4-7(5-3-6 |
739e0 | 29 31 30 2d 38 28 39 29 31 31 2f 68 32 2d 35 48 2c 31 48 33 2c 28 48 33 2c 39 2c 31 30 2c 31 31 | )10-8(9)11/h2-5H,1H3,(H3,9,10,11 |
73a00 | 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 f5 d2 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | )..updated_at...eFP....created_a |
73a20 | 74 00 f4 d2 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t...eFP....default_fingerprint_s |
73a40 | 69 7a 65 00 00 00 00 00 00 3b 02 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 4a 04 77 | ize......;...._id.V..)+r.+@..J.w |
73a60 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 57 01 00 00 04 | arnings.......fingerprints.W.... |
73a80 | 4d 50 32 44 00 4c 01 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d | MP2D.L....0.....1;1-1-2;2-1-6;2- |
73aa0 | 31 2d 39 3b 00 02 31 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b | 1-9;..1.....2;1-1-1;1-1-6;1-1-9; |
73ac0 | 32 2d 31 2d 31 39 3b 00 02 32 00 22 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d | 2-1-19;..2."...6;1-1-2;1-1-19;2- |
73ae0 | 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 | 1-1;2-1-3;2-1-9;..3.....19;1-1-3 |
73b00 | 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d 32 | ;1-1-6;2-1-2;2-2-3;..4.....3;1-2 |
73b20 | 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 35 00 16 00 00 00 33 3b | -3;1-1-19;2-2-3;2-1-6;..5.....3; |
73b40 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 | 1-2-3;2-2-3;2-1-19;..6.....3;1-2 |
73b60 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | -3;2-2-3;..7.....3;1-2-3;2-2-3;. |
73b80 | 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 16 00 00 00 33 3b 31 | .8.....3;1-2-3;2-2-3;..9.....3;1 |
73ba0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 15 00 00 00 39 3b 31 2d 31 | -2-3;2-2-3;2-1-19;..10.....9;1-1 |
73bc0 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 11 00 00 00 43 43 | -2;2-1-1;2-1-6;....smiles.....CC |
73be0 | 28 3d 4e 4e 63 31 63 63 63 63 63 31 29 4f 00 02 69 6e 63 68 69 00 43 00 00 00 49 6e 43 68 49 3d | (=NNc1ccccc1)O..inchi.C...InChI= |
73c00 | 31 53 2f 43 38 48 31 30 4e 32 4f 2f 63 31 2d 37 28 31 31 29 39 2d 31 30 2d 38 2d 35 2d 33 2d 32 | 1S/C8H10N2O/c1-7(11)9-10-8-5-3-2 |
73c20 | 2d 34 2d 36 2d 38 2f 68 32 2d 36 2c 31 30 48 2c 31 48 33 2c 28 48 2c 39 2c 31 31 29 00 09 75 70 | -4-6-8/h2-6,10H,1H3,(H,9,11)..up |
73c40 | 64 61 74 65 64 5f 61 74 00 fc d2 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 fa d2 65 | dated_at...eFP....created_at...e |
73c60 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
73c80 | 00 00 00 00 67 02 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 4b 04 77 61 72 6e 69 6e | ....g...._id.V..)+r.+@..K.warnin |
73ca0 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 7f 01 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
73cc0 | 74 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 00 1c 00 00 | t....0.....1;1-1-1;2-1-3;..1.... |
73ce0 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 00 | .1;1-1-1;1-1-3;2-1-3;2-1-11;..2. |
73d00 | 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 | "...3;1-1-1;1-1-3;1-1-11;2-1-1;2 |
73d20 | 2d 32 2d 33 3b 00 02 33 00 16 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | -2-3;..3.....11;1-2-3;2-1-1;2-2- |
73d40 | 33 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 | 3;..4.....3;1-1-3;1-1-11;2-2-3;. |
73d60 | 02 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 | .5.....3;1-2-3;2-1-2;2-1-3;2-1-1 |
73d80 | 31 3b 00 02 36 00 22 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | 1;..6."...3;1-1-2;1-2-3;2-2-3;2- |
73da0 | 31 2d 36 3b 32 2d 31 2d 31 30 3b 00 02 37 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 | 1-6;2-1-10;..7."...3;1-2-3;2-1-1 |
73dc0 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 1c 00 00 00 32 3b 31 2d | ;2-1-2;2-1-3;2-1-11;..8.....2;1- |
73de0 | 31 2d 33 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 33 3b 00 02 39 00 16 00 00 00 36 | 1-3;1-1-6;1-1-10;2-2-3;..9.....6 |
73e00 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 30 00 16 00 00 00 31 30 3b | ;1-1-2;2-1-3;2-1-10;..10.....10; |
73e20 | 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 13 00 00 | 1-1-2;2-1-3;2-1-6;....smiles.... |
73e40 | 00 43 43 63 31 6e 63 63 63 28 63 31 29 43 28 3d 4e 29 53 00 02 69 6e 63 68 69 00 45 00 00 00 49 | .CCc1nccc(c1)C(=N)S..inchi.E...I |
73e60 | 6e 43 68 49 3d 31 53 2f 43 38 48 31 30 4e 32 53 2f 63 31 2d 32 2d 37 2d 35 2d 36 28 38 28 39 29 | nChI=1S/C8H10N2S/c1-2-7-5-6(8(9) |
73e80 | 31 31 29 33 2d 34 2d 31 30 2d 37 2f 68 33 2d 35 48 2c 32 48 32 2c 31 48 33 2c 28 48 32 2c 39 2c | 11)3-4-10-7/h3-5H,2H2,1H3,(H2,9, |
73ea0 | 31 31 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 03 d3 65 46 50 01 00 00 09 63 72 65 61 74 65 64 | 11)..updated_at...eFP....created |
73ec0 | 5f 61 74 00 01 d3 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...eFP....default_fingerprint |
73ee0 | 5f 73 69 7a 65 00 00 00 00 00 00 df 01 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 4c | _size..........._id.V..)+r.+@..L |
73f00 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 0a 01 00 | .warnings.......fingerprints.... |
73f20 | 00 04 4d 50 32 44 00 ff 00 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b | ..MP2D......0.....1;1-1-3;2-2-3; |
73f40 | 00 02 31 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 | ..1.....3;1-1-1;1-2-3;2-2-3;..2. |
73f60 | 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 16 00 00 00 | ....3;1-2-3;2-1-1;2-2-3;..3..... |
73f80 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 34 00 1c 00 00 00 33 3b 31 | 3;1-2-3;2-2-3;2-1-19;..4.....3;1 |
73fa0 | 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 1c 00 00 00 | -2-3;1-1-19;2-1-1;2-2-3;..5..... |
73fc0 | 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 36 00 15 | 3;1-1-1;1-2-3;2-2-3;2-1-19;..6.. |
73fe0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 0f 00 00 00 31 | ...3;1-2-3;2-2-1;2-2-3;..7.....1 |
74000 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d | ;1-1-3;2-2-3;..8.....19;1-1-3;2- |
74020 | 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 10 00 00 00 43 63 31 63 63 63 28 63 28 63 31 29 43 | 2-3;....smiles.....Cc1ccc(c(c1)C |
74040 | 29 4e 00 02 69 6e 63 68 69 00 35 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 31 31 4e 2f 63 31 | )N..inchi.5...InChI=1S/C8H11N/c1 |
74060 | 2d 36 2d 33 2d 34 2d 38 28 39 29 37 28 32 29 35 2d 36 2f 68 33 2d 35 48 2c 39 48 32 2c 31 2d 32 | -6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2 |
74080 | 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 0d d3 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | H3..updated_at...eFP....created_ |
740a0 | 61 74 00 0b d3 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at...eFP....default_fingerprint_ |
740c0 | 73 69 7a 65 00 00 00 00 00 00 cb 01 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 4d 04 | size..........._id.V..)+r.+@..M. |
740e0 | 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 fc 00 00 00 | warnings.......fingerprints..... |
74100 | 04 4d 50 32 44 00 f1 00 00 00 02 30 00 0f 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 00 | .MP2D......0.....2;1-1-2;2-1-1;. |
74120 | 02 31 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 02 32 00 1b | .1.....2;1-1-1;1-1-2;2-2-1;..2.. |
74140 | 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 33 | ...1;1-2-1;1-1-2;2-1-1;2-2-2;..3 |
74160 | 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 34 00 1b 00 00 | .....1;1-2-1;2-1-1;2-2-2;..4.... |
74180 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 35 00 15 | .1;1-1-1;1-1-2;2-1-1;2-1-2;..5.. |
741a0 | 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 02 36 00 15 00 00 00 32 | ...2;1-1-1;1-1-2;2-2-1;..6.....2 |
741c0 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 02 37 00 1b 00 00 00 31 3b 31 2d 31 | ;1-1-1;1-1-2;2-2-1;..7.....1;1-1 |
741e0 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 | -1;1-1-2;2-1-1;2-2-2;....smiles. |
74200 | 0d 00 00 00 43 3d 43 43 31 43 43 43 3d 43 43 31 00 02 69 6e 63 68 69 00 32 00 00 00 49 6e 43 68 | ....C=CC1CCC=CC1..inchi.2...InCh |
74220 | 49 3d 31 53 2f 43 38 48 31 32 2f 63 31 2d 32 2d 38 2d 36 2d 34 2d 33 2d 35 2d 37 2d 38 2f 68 32 | I=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2 |
74240 | 2d 34 2c 38 48 2c 31 2c 35 2d 37 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 17 d3 65 46 50 01 | -4,8H,1,5-7H2..updated_at...eFP. |
74260 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 15 d3 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at...eFP....default_f |
74280 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 f9 01 00 00 07 5f 69 64 00 56 16 | ingerprint_size..........._id.V. |
742a0 | 1e 29 2b 72 ed 2b 40 00 03 4e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | .)+r.+@..N.warnings.......finger |
742c0 | 70 72 69 6e 74 73 00 22 01 00 00 04 4d 50 32 44 00 17 01 00 00 02 30 00 0f 00 00 00 35 3b 31 2d | prints."....MP2D......0.....5;1- |
742e0 | 31 2d 35 3b 32 2d 31 2d 31 3b 00 02 31 00 15 00 00 00 35 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b | 1-5;2-1-1;..1.....5;1-1-1;1-1-5; |
74300 | 32 2d 31 2d 31 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d | 2-1-1;..2.....1;1-1-1;1-1-5;2-1- |
74320 | 33 3b 32 2d 31 2d 35 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d | 3;2-1-5;..3.....1;1-1-1;1-1-3;2- |
74340 | 32 2d 33 3b 32 2d 31 2d 35 3b 00 02 34 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b | 2-3;2-1-5;..4.....3;1-1-1;1-2-3; |
74360 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 2-1-1;2-2-3;..5.....3;1-2-3;2-1- |
74380 | 31 3b 32 2d 32 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 | 1;2-2-3;..6.....3;1-2-3;2-2-3;.. |
743a0 | 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d | 7.....3;1-2-3;2-2-3;..8.....3;1- |
743c0 | 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b | 2-3;2-2-3;..9.....3;1-2-3;2-1-1; |
743e0 | 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 0d 00 00 00 4e 4e 43 43 63 31 63 63 63 63 63 | 2-2-3;....smiles.....NNCCc1ccccc |
74400 | 31 00 02 69 6e 63 68 69 00 3a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 31 32 4e 32 2f 63 39 | 1..inchi.:...InChI=1S/C8H12N2/c9 |
74420 | 2d 31 30 2d 37 2d 36 2d 38 2d 34 2d 32 2d 31 2d 33 2d 35 2d 38 2f 68 31 2d 35 2c 31 30 48 2c 36 | -10-7-6-8-4-2-1-3-5-8/h1-5,10H,6 |
74440 | 2d 37 2c 39 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 1d d3 65 46 50 01 00 00 09 63 72 65 61 | -7,9H2..updated_at...eFP....crea |
74460 | 74 65 64 5f 61 74 00 1c d3 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at...eFP....default_fingerpr |
74480 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 58 02 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 | int_size......X...._id.V..)+r.+@ |
744a0 | 00 03 4f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 | ..O.warnings.......fingerprints. |
744c0 | 75 01 00 00 04 4d 50 32 44 00 6a 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 | u....MP2D.j....0.....1;1-1-8;2-1 |
744e0 | 2d 32 3b 00 02 31 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 | -2;..1.....8;1-1-1;1-1-2;2-1-2;2 |
74500 | 2d 31 2d 39 3b 00 02 32 00 21 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 | -1-9;..2.!...2;1-1-2;1-1-8;1-1-9 |
74520 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 | ;2-2-1;2-1-2;..3.....9;1-1-2;2-1 |
74540 | 2d 32 3b 32 2d 31 2d 38 3b 00 02 34 00 27 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 | -2;2-1-8;..4.'...2;1-1-1;1-2-2;2 |
74560 | 2d 31 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 00 1b 00 00 00 32 | -1-1;2-1-5;2-1-8;2-1-9;..5.....2 |
74580 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 36 00 1b 00 00 | ;1-1-1;1-1-2;2-2-1;2-1-2;..6.... |
745a0 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 35 3b 00 02 37 00 1b | .1;1-1-1;1-1-2;2-1-2;2-1-5;..7.. |
745c0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 38 | ...1;1-1-1;1-1-5;2-2-1;2-1-2;..8 |
745e0 | 00 15 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 39 00 1b 00 00 | .....5;1-3-1;2-1-1;2-1-2;..9.... |
74600 | 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 30 00 | .1;1-1-2;1-1-5;2-2-1;2-2-2;..10. |
74620 | 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 14 00 00 | ....1;1-1-5;2-2-1;....smiles.... |
74640 | 00 43 4f 43 28 3d 4f 29 43 31 3d 43 43 43 4e 28 43 31 29 43 00 02 69 6e 63 68 69 00 3f 00 00 00 | .COC(=O)C1=CCCN(C1)C..inchi.?... |
74660 | 49 6e 43 68 49 3d 31 53 2f 43 38 48 31 33 4e 4f 32 2f 63 31 2d 39 2d 35 2d 33 2d 34 2d 37 28 36 | InChI=1S/C8H13NO2/c1-9-5-3-4-7(6 |
74680 | 2d 39 29 38 28 31 30 29 31 31 2d 32 2f 68 34 48 2c 33 2c 35 2d 36 48 32 2c 31 2d 32 48 33 00 09 | -9)8(10)11-2/h4H,3,5-6H2,1-2H3.. |
746a0 | 75 70 64 61 74 65 64 5f 61 74 00 29 d3 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 27 | updated_at.).eFP....created_at.' |
746c0 | d3 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | .eFP....default_fingerprint_size |
746e0 | 00 00 00 00 00 00 34 02 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 50 04 77 61 72 6e | ......4...._id.V..)+r.+@..P.warn |
74700 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 57 01 00 00 04 4d 50 32 | ings.......fingerprints.W....MP2 |
74720 | 44 00 4c 01 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d | D.L....0.....1;1-1-28;2-1-2;2-1- |
74740 | 36 3b 00 02 31 00 22 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 | 6;..1."...28;1-1-1;1-1-2;1-1-6;2 |
74760 | 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 32 00 1c 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 32 | -1-2;2-1-9;..2.....6;1-1-2;1-1-2 |
74780 | 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d | 8;2-2-1;2-1-2;..3.....2;1-1-1;1- |
747a0 | 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 34 00 1b 00 00 00 31 3b 31 2d 31 2d 31 | 1-6;2-1-1;2-1-28;..4.....1;1-1-1 |
747c0 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 35 00 15 00 00 00 31 3b 31 2d 32 | ;1-1-2;2-1-1;2-1-6;..5.....1;1-2 |
747e0 | 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 36 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 | -1;2-1-1;2-1-2;..6.....1;1-2-1;2 |
74800 | 2d 32 2d 31 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 38 00 0f | -2-1;..7.....1;1-2-1;2-1-1;..8.. |
74820 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 39 00 1c 00 00 00 32 3b 31 2d 31 2d 39 | ...1;1-1-1;2-1-1;..9.....2;1-1-9 |
74840 | 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 30 00 10 00 00 00 39 3b 31 | ;1-1-28;2-1-1;2-1-6;..10.....9;1 |
74860 | 2d 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 10 00 00 00 43 4e 28 4e 3d | -1-2;2-1-28;....smiles.....CN(N= |
74880 | 43 43 43 43 43 43 29 43 3d 4f 00 02 69 6e 63 68 69 00 3d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | CCCCCC)C=O..inchi.=...InChI=1S/C |
748a0 | 38 48 31 36 4e 32 4f 2f 63 31 2d 33 2d 34 2d 35 2d 36 2d 37 2d 39 2d 31 30 28 32 29 38 2d 31 31 | 8H16N2O/c1-3-4-5-6-7-9-10(2)8-11 |
748c0 | 2f 68 37 2d 38 48 2c 33 2d 36 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 3a | /h7-8H,3-6H2,1-2H3..updated_at.: |
748e0 | d3 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 38 d3 65 46 50 01 00 00 10 64 65 66 61 | .eFP....created_at.8.eFP....defa |
74900 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 b3 01 00 00 07 5f | ult_fingerprint_size..........._ |
74920 | 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 51 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..)+r.+@..Q.warnings.......f |
74940 | 69 6e 67 65 72 70 72 69 6e 74 73 00 e2 00 00 00 04 4d 50 32 44 00 d7 00 00 00 02 30 00 0f 00 00 | ingerprints......MP2D......0.... |
74960 | 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 | .1;1-1-1;2-1-1;..1.....1;1-2-1;2 |
74980 | 2d 31 2d 31 3b 00 02 32 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 00 0f | -1-1;..2.....1;1-2-1;2-2-1;..3.. |
749a0 | 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 34 00 15 00 00 00 31 3b 31 2d 33 2d 31 | ...1;1-2-1;2-3-1;..4.....1;1-3-1 |
749c0 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | ;2-2-1;2-1-8;..5.....1;1-1-1;1-1 |
749e0 | 2d 38 3b 32 2d 32 2d 31 3b 00 02 36 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 | -8;2-2-1;..6.....8;1-1-1;2-1-1;. |
74a00 | 02 37 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 38 00 0f 00 00 00 31 3b 31 | .7.....1;1-2-1;2-2-1;..8.....1;1 |
74a20 | 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 0c 00 00 00 43 43 43 43 43 28 | -1-1;2-1-1;....smiles.....CCCCC( |
74a40 | 43 4f 29 43 43 00 02 69 6e 63 68 69 00 35 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 31 38 4f | CO)CC..inchi.5...InChI=1S/C8H18O |
74a60 | 2f 63 31 2d 33 2d 35 2d 36 2d 38 28 34 2d 32 29 37 2d 39 2f 68 38 2d 39 48 2c 33 2d 37 48 32 2c | /c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2, |
74a80 | 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 44 d3 65 46 50 01 00 00 09 63 72 65 61 74 | 1-2H3..updated_at.D.eFP....creat |
74aa0 | 65 64 5f 61 74 00 42 d3 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at.B.eFP....default_fingerpri |
74ac0 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 e7 01 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 | nt_size..........._id.V..)+r.+@. |
74ae0 | 03 52 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 16 | .R.warnings.......fingerprints.. |
74b00 | 01 00 00 04 4d 50 32 44 00 0b 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d | ....MP2D......0.....1;1-1-1;2-1- |
74b20 | 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 00 15 00 00 00 | 1;..1.....1;1-2-1;2-1-1;..2..... |
74b40 | 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d | 1;1-2-1;2-1-1;2-1-5;..3.....1;1- |
74b60 | 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 34 00 15 00 00 00 35 3b | 1-1;1-1-5;2-2-1;2-1-5;..4.....5; |
74b80 | 31 2d 32 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 35 00 1b 00 00 00 31 3b 31 2d 31 2d | 1-2-1;1-1-5;2-2-1;..5.....1;1-1- |
74ba0 | 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 36 00 15 00 00 00 31 3b 31 2d | 1;1-1-5;2-2-1;2-1-5;..6.....1;1- |
74bc0 | 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b | 2-1;2-1-1;2-1-5;..7.....1;1-2-1; |
74be0 | 32 2d 31 2d 31 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 39 00 | 2-1-1;..8.....1;1-1-1;2-1-1;..9. |
74c00 | 0f 00 00 00 35 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 0d 00 00 | ....5;1-1-5;2-2-1;....smiles.... |
74c20 | 00 43 43 43 43 4e 28 43 43 43 43 29 4e 00 02 69 6e 63 68 69 00 34 00 00 00 49 6e 43 68 49 3d 31 | .CCCCN(CCCC)N..inchi.4...InChI=1 |
74c40 | 53 2f 43 38 48 32 30 4e 32 2f 63 31 2d 33 2d 35 2d 37 2d 31 30 28 39 29 38 2d 36 2d 34 2d 32 2f | S/C8H20N2/c1-3-5-7-10(9)8-6-4-2/ |
74c60 | 68 33 2d 39 48 32 2c 31 2d 32 48 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 4a d3 65 46 50 01 00 | h3-9H2,1-2H3..updated_at.J.eFP.. |
74c80 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 49 d3 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at.I.eFP....default_fi |
74ca0 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 f1 01 00 00 07 5f 69 64 00 56 16 1e | ngerprint_size..........._id.V.. |
74cc0 | 29 2b 72 ed 2b 40 00 03 53 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | )+r.+@..S.warnings.......fingerp |
74ce0 | 72 69 6e 74 73 00 1c 01 00 00 04 4d 50 32 44 00 11 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 | rints......MP2D......0.....1;1-1 |
74d00 | 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 | -1;2-1-1;..1.....1;1-2-1;2-1-1;. |
74d20 | 02 32 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 33 00 1b | .2.....1;1-2-1;2-1-1;2-1-5;..3.. |
74d40 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 34 | ...1;1-1-1;1-1-5;2-1-1;2-1-5;..4 |
74d60 | 00 15 00 00 00 35 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 35 00 15 00 00 | .....5;1-1-1;1-1-5;2-2-1;..5.... |
74d80 | 00 35 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 36 00 1b 00 00 00 31 3b 31 | .5;1-1-1;1-1-5;2-2-1;..6.....1;1 |
74da0 | 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 37 00 15 00 00 00 31 | -1-1;1-1-5;2-1-1;2-1-5;..7.....1 |
74dc0 | 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 32 | ;1-2-1;2-1-1;2-1-5;..8.....1;1-2 |
74de0 | 2d 31 3b 32 2d 31 2d 31 3b 00 02 39 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 | -1;2-1-1;..9.....1;1-1-1;2-1-1;. |
74e00 | 00 00 02 73 6d 69 6c 65 73 00 0b 00 00 00 43 43 43 43 4e 4e 43 43 43 43 00 02 69 6e 63 68 69 00 | ...smiles.....CCCCNNCCCC..inchi. |
74e20 | 3a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 32 30 4e 32 2f 63 31 2d 33 2d 35 2d 37 2d 39 2d | :...InChI=1S/C8H20N2/c1-3-5-7-9- |
74e40 | 31 30 2d 38 2d 36 2d 34 2d 32 2f 68 39 2d 31 30 48 2c 33 2d 38 48 32 2c 31 2d 32 48 33 00 09 75 | 10-8-6-4-2/h9-10H,3-8H2,1-2H3..u |
74e60 | 70 64 61 74 65 64 5f 61 74 00 51 d3 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 4f d3 | pdated_at.Q.eFP....created_at.O. |
74e80 | 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | eFP....default_fingerprint_size. |
74ea0 | 00 00 00 00 00 96 03 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 54 04 77 61 72 6e 69 | .........._id.V..)+r.+@..T.warni |
74ec0 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 93 02 00 00 04 4d 50 32 44 | ngs.......fingerprints......MP2D |
74ee0 | 00 88 02 00 00 02 30 00 16 00 00 00 36 3b 31 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 | ......0.....6;1-1-3;2-1-9;2-1-11 |
74f00 | 3b 00 02 31 00 23 00 00 00 33 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 31 3b 32 2d | ;..1.#...3;1-1-6;1-1-9;1-1-11;2- |
74f20 | 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 00 23 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 1-3;2-1-11;..2.#...11;1-2-3;2-1- |
74f40 | 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 33 00 29 00 00 00 33 3b 31 | 2;2-1-6;2-1-9;2-1-11;..3.)...3;1 |
74f60 | 2d 31 2d 32 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d | -1-2;1-2-11;2-1-2;2-1-3;2-1-9;2- |
74f80 | 31 2d 31 33 3b 00 02 34 00 2a 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d | 1-13;..4.*...11;1-1-3;1-1-9;1-1- |
74fa0 | 31 33 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 35 00 17 00 00 00 31 33 | 13;2-1-2;2-1-3;2-1-11;..5.....13 |
74fc0 | 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 36 00 2a 00 00 00 39 3b 31 2d | ;1-1-11;2-1-3;2-1-9;..6.*...9;1- |
74fe0 | 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 31 3b 32 2d | 1-3;1-1-11;2-1-3;2-1-6;2-1-11;2- |
75000 | 31 2d 31 33 3b 00 02 37 00 1c 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 | 1-13;..7.....2;1-1-2;1-1-3;2-1-3 |
75020 | 3b 32 2d 32 2d 31 31 3b 00 02 38 00 1b 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d | ;2-2-11;..8.....2;1-1-2;1-1-3;2- |
75040 | 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 39 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b | 2-3;2-1-9;..9.!...3;1-1-2;1-1-3; |
75060 | 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 30 00 1b 00 00 00 33 3b 31 2d 32 | 1-1-9;2-1-2;2-2-3;..10.....3;1-2 |
75080 | 2d 33 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 31 00 1c 00 00 00 33 3b | -3;2-1-2;2-1-3;2-1-9;..11.....3; |
750a0 | 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 32 00 22 00 | 1-2-3;2-1-3;2-1-9;2-1-19;..12.". |
750c0 | 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 | ..3;1-1-3;1-1-9;1-1-19;2-2-3;2-2 |
750e0 | 2d 39 3b 00 02 31 33 00 1c 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b | -9;..13.....9;1-2-3;2-1-2;2-2-3; |
75100 | 32 2d 31 2d 31 39 3b 00 02 31 34 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 | 2-1-19;..14.....19;1-1-3;1-2-9;2 |
75120 | 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 35 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 | -1-3;2-1-9;..15.....9;1-1-19;2-1 |
75140 | 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 36 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 | -3;2-1-9;..16.....9;1-1-19;2-1-3 |
75160 | 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 22 00 00 00 4e 3d 63 31 6e 63 28 5b 6e 48 | ;2-1-9;....smiles."...N=c1nc([nH |
75180 | 5d 6f 31 29 43 3d 43 63 31 63 63 63 28 6f 31 29 4e 28 3d 4f 29 3d 4f 00 02 69 6e 63 68 69 00 51 | ]o1)C=Cc1ccc(o1)N(=O)=O..inchi.Q |
751a0 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 36 4e 34 4f 34 2f 63 39 2d 38 2d 31 30 2d 36 28 31 | ...InChI=1S/C8H6N4O4/c9-8-10-6(1 |
751c0 | 31 2d 31 36 2d 38 29 33 2d 31 2d 35 2d 32 2d 34 2d 37 28 31 35 2d 35 29 31 32 28 31 33 29 31 34 | 1-16-8)3-1-5-2-4-7(15-5)12(13)14 |
751e0 | 2f 68 31 2d 34 48 2c 28 48 32 2c 39 2c 31 30 2c 31 31 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 | /h1-4H,(H2,9,10,11)..updated_at. |
75200 | 5c d3 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 5b d3 65 46 50 01 00 00 10 64 65 66 | \.eFP....created_at.[.eFP....def |
75220 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 bc 02 00 00 07 | ault_fingerprint_size........... |
75240 | 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 55 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..)+r.+@..U.warnings....... |
75260 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c6 01 00 00 04 4d 50 32 44 00 bb 01 00 00 02 30 00 16 00 | fingerprints......MP2D......0... |
75280 | 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 00 22 00 00 00 32 | ..9;1-1-2;2-1-3;2-1-28;..1."...2 |
752a0 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b | ;1-1-3;1-1-9;1-1-28;2-2-3;2-1-6; |
752c0 | 00 02 32 00 22 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | ..2."...3;1-1-2;1-2-3;2-2-3;2-1- |
752e0 | 39 3b 32 2d 31 2d 32 38 3b 00 02 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 | 9;2-1-28;..3.....3;1-2-3;2-1-2;2 |
75300 | 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d | -1-3;2-1-11;..4.....3;1-1-3;1-1- |
75320 | 31 31 3b 32 2d 32 2d 33 3b 00 02 35 00 10 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | 11;2-2-3;..5.....11;1-2-3;2-2-3; |
75340 | 00 02 36 00 16 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 37 | ..6.....3;1-1-3;1-1-11;2-2-3;..7 |
75360 | 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b | .....3;1-2-3;2-1-2;2-1-3;2-1-11; |
75380 | 00 02 38 00 22 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 | ..8."...28;1-1-2;1-1-6;2-1-2;2-1 |
753a0 | 2d 33 3b 32 2d 31 2d 39 3b 00 02 39 00 22 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 32 38 3b | -3;2-1-9;..9."...6;1-1-2;1-1-28; |
753c0 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 30 00 1c 00 00 00 32 3b 31 2d 31 | 2-1-1;2-1-2;2-1-9;..10.....2;1-1 |
753e0 | 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 31 00 15 00 00 00 39 | -1;1-1-6;1-1-9;2-1-28;..11.....9 |
75400 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 32 00 15 00 00 00 31 3b 31 2d | ;1-1-2;2-1-1;2-1-6;..12.....1;1- |
75420 | 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 16 00 00 00 4f | 1-2;2-1-6;2-1-9;....smiles.....O |
75440 | 3d 43 28 63 31 63 63 6e 63 63 31 29 4e 4e 3d 43 28 4f 29 43 00 02 69 6e 63 68 69 00 50 00 00 00 | =C(c1ccncc1)NN=C(O)C..inchi.P... |
75460 | 49 6e 43 68 49 3d 31 53 2f 43 38 48 39 4e 33 4f 32 2f 63 31 2d 36 28 31 32 29 31 30 2d 31 31 2d | InChI=1S/C8H9N3O2/c1-6(12)10-11- |
75480 | 38 28 31 33 29 37 2d 32 2d 34 2d 39 2d 35 2d 33 2d 37 2f 68 32 2d 35 48 2c 31 48 33 2c 28 48 2c | 8(13)7-2-4-9-5-3-7/h2-5H,1H3,(H, |
754a0 | 31 30 2c 31 32 29 28 48 2c 31 31 2c 31 33 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 77 d3 65 46 | 10,12)(H,11,13)..updated_at.w.eF |
754c0 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 75 d3 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at.u.eFP....default |
754e0 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 2c 02 00 00 07 5f 69 64 00 | _fingerprint_size......,...._id. |
75500 | 56 16 1e 29 2b 72 ed 2b 40 00 03 56 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..)+r.+@..V.warnings.......fing |
75520 | 65 72 70 72 69 6e 74 73 00 51 01 00 00 04 4d 50 32 44 00 46 01 00 00 02 30 00 15 00 00 00 31 3b | erprints.Q....MP2D.F....0.....1; |
75540 | 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 00 1b 00 00 00 32 3b 31 2d 31 2d | 1-1-2;2-1-8;2-1-9;..1.....2;1-1- |
75560 | 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 00 02 32 00 15 00 00 00 39 3b 31 2d | 1;1-1-8;1-1-9;2-1-1;..2.....9;1- |
75580 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b | 1-2;2-1-1;2-1-8;..3.!...8;1-1-1; |
755a0 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 34 00 1b 00 00 00 | 1-1-2;2-1-1;2-1-3;2-1-9;..4..... |
755c0 | 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 35 00 1b 00 | 1;1-1-3;1-1-8;2-1-2;2-2-3;..5... |
755e0 | 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 | ..3;1-1-1;1-2-3;2-2-3;2-1-8;..6. |
75600 | 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 0f 00 00 00 | ....3;1-2-3;2-1-1;2-2-3;..7..... |
75620 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 3;1-2-3;2-2-3;..8.....3;1-2-3;2- |
75640 | 32 2d 33 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 15 | 2-3;..9.....3;1-2-3;2-2-3;..10.. |
75660 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 | ...3;1-2-3;2-1-1;2-2-3;....smile |
75680 | 73 00 11 00 00 00 43 43 28 3d 4f 29 4f 43 63 31 63 63 63 63 63 31 00 02 69 6e 63 68 69 00 3a 00 | s.....CC(=O)OCc1ccccc1..inchi.:. |
756a0 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 30 4f 32 2f 63 31 2d 38 28 31 30 29 31 31 2d 37 2d | ..InChI=1S/C9H10O2/c1-8(10)11-7- |
756c0 | 39 2d 35 2d 33 2d 32 2d 34 2d 36 2d 39 2f 68 32 2d 36 48 2c 37 48 32 2c 31 48 33 00 09 75 70 64 | 9-5-3-2-4-6-9/h2-6H,7H2,1H3..upd |
756e0 | 61 74 65 64 5f 61 74 00 85 d3 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 83 d3 65 46 | ated_at...eFP....created_at...eF |
75700 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
75720 | 00 00 00 65 02 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 57 04 77 61 72 6e 69 6e 67 | ...e...._id.V..)+r.+@..W.warning |
75740 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 7a 01 00 00 04 4d 50 32 44 00 6f | s.......fingerprints.z....MP2D.o |
75760 | 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 | ....0.....1;1-1-1;2-1-8;..1..... |
75780 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 32 00 1b 00 00 00 38 3b 31 2d | 1;1-1-1;1-1-8;2-1-3;..2.....8;1- |
757a0 | 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 21 00 00 00 33 3b | 1-1;1-1-3;2-1-1;2-2-3;..3.!...3; |
757c0 | 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 | 1-2-3;1-1-8;2-1-1;2-1-2;2-2-3;.. |
757e0 | 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 00 0f 00 | 4.....3;1-2-3;2-2-3;2-1-8;..5... |
75800 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b | ..3;1-2-3;2-2-3;..6.....3;1-2-3; |
75820 | 32 2d 32 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d | 2-2-3;..7.....3;1-2-3;2-1-2;2-2- |
75840 | 33 3b 00 02 38 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | 3;..8.'...3;1-1-2;1-2-3;2-2-3;2- |
75860 | 31 2d 36 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 39 00 1b 00 00 00 32 3b 31 2d 31 2d 33 3b | 1-6;2-1-8;2-1-9;..9.....2;1-1-3; |
75880 | 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 00 02 31 30 00 15 00 00 00 36 3b 31 2d 31 | 1-1-6;1-1-9;2-2-3;..10.....6;1-1 |
758a0 | 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 31 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b | -2;2-1-3;2-1-9;..11.....9;1-1-2; |
758c0 | 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 12 00 00 00 43 43 4f 63 31 | 2-1-3;2-1-6;....smiles.....CCOc1 |
758e0 | 63 63 63 63 63 31 43 28 3d 4e 29 4f 00 02 69 6e 63 68 69 00 49 00 00 00 49 6e 43 68 49 3d 31 53 | ccccc1C(=N)O..inchi.I...InChI=1S |
75900 | 2f 43 39 48 31 31 4e 4f 32 2f 63 31 2d 32 2d 31 32 2d 38 2d 36 2d 34 2d 33 2d 35 2d 37 28 38 29 | /C9H11NO2/c1-2-12-8-6-4-3-5-7(8) |
75920 | 39 28 31 30 29 31 31 2f 68 33 2d 36 48 2c 32 48 32 2c 31 48 33 2c 28 48 32 2c 31 30 2c 31 31 29 | 9(10)11/h3-6H,2H2,1H3,(H2,10,11) |
75940 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 8c d3 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at...eFP....created_at |
75960 | 00 8a d3 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | ...eFP....default_fingerprint_si |
75980 | 7a 65 00 00 00 00 00 00 9a 02 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 58 04 77 61 | ze..........._id.V..)+r.+@..X.wa |
759a0 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a3 01 00 00 04 4d | rnings.......fingerprints......M |
759c0 | 50 32 44 00 98 01 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 | P2D......0.....8;1-1-1;2-1-3;..1 |
759e0 | 00 15 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 00 02 32 00 1b 00 00 | .....1;1-1-3;1-1-8;2-2-3;..2.... |
75a00 | 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 00 15 | .3;1-1-1;1-2-3;2-2-3;2-1-8;..3.. |
75a20 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 16 00 00 00 33 | ...3;1-2-3;2-1-1;2-2-3;..4.....3 |
75a40 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d | ;1-2-3;2-2-3;2-1-19;..5.....3;1- |
75a60 | 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 36 00 16 00 00 00 33 | 2-3;1-1-19;2-2-3;2-1-6;..6.....3 |
75a80 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 15 00 00 00 33 3b 31 2d | ;1-2-3;2-2-3;2-1-19;..7.....3;1- |
75aa0 | 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 00 1c 00 00 00 31 39 3b 31 2d 31 2d 33 | 2-3;2-1-1;2-2-3;..8.....19;1-1-3 |
75ac0 | 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 39 00 22 00 00 00 36 3b 31 2d 31 | ;1-1-6;2-1-2;2-2-3;..9."...6;1-1 |
75ae0 | 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 30 | -2;1-1-19;2-1-1;2-1-3;2-1-9;..10 |
75b00 | 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b | .....2;1-1-1;1-1-6;1-1-9;2-1-19; |
75b20 | 00 02 31 31 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 | ..11.....9;1-1-2;2-1-1;2-1-6;..1 |
75b40 | 32 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d | 2.....1;1-1-2;2-1-6;2-1-9;....sm |
75b60 | 69 6c 65 73 00 15 00 00 00 4f 43 63 31 63 63 63 28 63 63 31 29 4e 4e 3d 43 28 4f 29 43 00 02 69 | iles.....OCc1ccc(cc1)NN=C(O)C..i |
75b80 | 6e 63 68 69 00 52 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 32 4e 32 4f 32 2f 63 31 2d 37 | nchi.R...InChI=1S/C9H12N2O2/c1-7 |
75ba0 | 28 31 33 29 31 30 2d 31 31 2d 39 2d 34 2d 32 2d 38 28 36 2d 31 32 29 33 2d 35 2d 39 2f 68 32 2d | (13)10-11-9-4-2-8(6-12)3-5-9/h2- |
75bc0 | 35 2c 31 31 2d 31 32 48 2c 36 48 32 2c 31 48 33 2c 28 48 2c 31 30 2c 31 33 29 00 09 75 70 64 61 | 5,11-12H,6H2,1H3,(H,10,13)..upda |
75be0 | 74 65 64 5f 61 74 00 93 d3 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 91 d3 65 46 50 | ted_at...eFP....created_at...eFP |
75c00 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
75c20 | 00 00 37 03 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 59 04 77 61 72 6e 69 6e 67 73 | ..7...._id.V..)+r.+@..Y.warnings |
75c40 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 3d 02 00 00 04 4d 50 32 44 00 32 02 | .......fingerprints.=....MP2D.2. |
75c60 | 00 00 02 30 00 18 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 32 2d 32 2d 31 35 3b | ...0.....15;1-1-1;2-1-10;2-2-15; |
75c80 | 00 02 31 00 18 00 00 00 31 3b 31 2d 31 2d 31 30 3b 31 2d 33 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 | ..1.....1;1-1-10;1-3-15;2-1-28;. |
75ca0 | 02 32 00 1e 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 32 3b 32 2d 33 | .2.....10;1-1-1;1-1-28;2-2-2;2-3 |
75cc0 | 2d 31 35 3b 00 02 33 00 23 00 00 00 32 38 3b 31 2d 32 2d 32 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d | -15;..3.#...28;1-2-2;1-1-10;2-1- |
75ce0 | 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 34 00 29 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d | 1;2-2-3;2-2-9;..4.)...2;1-1-3;1- |
75d00 | 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 | 1-9;1-1-28;2-1-2;2-2-3;2-1-10;.. |
75d20 | 35 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 36 00 28 | 5.....9;1-1-2;2-1-3;2-1-28;..6.( |
75d40 | 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 | ...3;1-1-2;1-2-3;2-1-2;2-2-3;2-1 |
75d60 | 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 37 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b | -9;2-1-28;..7.(...3;1-1-2;1-2-3; |
75d80 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 38 00 29 00 00 | 2-1-2;2-2-3;2-1-9;2-1-28;..8.).. |
75da0 | 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d | .2;1-1-3;1-1-9;1-1-28;2-1-2;2-2- |
75dc0 | 33 3b 32 2d 31 2d 31 30 3b 00 02 39 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 | 3;2-1-10;..9.....9;1-1-2;2-1-3;2 |
75de0 | 2d 31 2d 32 38 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 | -1-28;..10.....3;1-2-3;2-1-2;2-2 |
75e00 | 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 0f | -3;..11.....3;1-2-3;2-2-3;..12.. |
75e20 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d | ...3;1-2-3;2-2-3;..13.....3;1-2- |
75e40 | 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 34 00 18 00 00 00 31 35 3b 31 2d 31 2d 31 3b | 3;2-1-2;2-2-3;..14.....15;1-1-1; |
75e60 | 32 2d 31 2d 31 30 3b 32 2d 32 2d 31 35 3b 00 02 31 35 00 18 00 00 00 31 35 3b 31 2d 31 2d 31 3b | 2-1-10;2-2-15;..15.....15;1-1-1; |
75e80 | 32 2d 31 2d 31 30 3b 32 2d 32 2d 31 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 22 00 00 00 43 6c 43 | 2-1-10;2-2-15;....smiles."...ClC |
75ea0 | 28 53 4e 31 43 28 3d 4f 29 63 32 63 28 43 31 3d 4f 29 63 63 63 63 32 29 28 43 6c 29 43 6c 00 02 | (SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl.. |
75ec0 | 69 6e 63 68 69 00 48 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 34 43 6c 33 4e 4f 32 53 2f 63 | inchi.H...InChI=1S/C9H4Cl3NO2S/c |
75ee0 | 31 30 2d 39 28 31 31 2c 31 32 29 31 36 2d 31 33 2d 37 28 31 34 29 35 2d 33 2d 31 2d 32 2d 34 2d | 10-9(11,12)16-13-7(14)5-3-1-2-4- |
75f00 | 36 28 35 29 38 28 31 33 29 31 35 2f 68 31 2d 34 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 a5 d3 | 6(5)8(13)15/h1-4H..updated_at... |
75f20 | 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a3 d3 65 46 50 01 00 00 10 64 65 66 61 75 | eFP....created_at...eFP....defau |
75f40 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 0f 03 00 00 07 5f 69 | lt_fingerprint_size..........._i |
75f60 | 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 5a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..)+r.+@..Z.warnings.......fi |
75f80 | 6e 67 65 72 70 72 69 6e 74 73 00 12 02 00 00 04 4d 50 32 44 00 07 02 00 00 02 30 00 17 00 00 00 | ngerprints......MP2D......0..... |
75fa0 | 36 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 31 00 24 00 00 00 33 3b | 6;1-1-3;2-1-11;2-1-18;..1.$...3; |
75fc0 | 31 2d 31 2d 36 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 33 | 1-1-6;1-1-11;1-1-18;2-2-3;2-1-13 |
75fe0 | 3b 00 02 32 00 1d 00 00 00 31 38 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d | ;..2.....18;1-2-3;2-1-3;2-1-6;2- |
76000 | 31 2d 31 31 3b 00 02 33 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d | 1-11;..3.....3;1-1-3;1-1-18;2-2- |
76020 | 33 3b 32 2d 31 2d 31 31 3b 00 02 34 00 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b | 3;2-1-11;..4.$...3;1-2-3;1-1-11; |
76040 | 32 2d 33 2d 33 3b 32 2d 31 2d 31 33 3b 32 2d 31 2d 31 38 3b 00 02 35 00 24 00 00 00 31 31 3b 31 | 2-3-3;2-1-13;2-1-18;..5.$...11;1 |
76060 | 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 38 3b 00 | -2-3;1-1-13;2-2-3;2-1-6;2-1-18;. |
76080 | 02 36 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 37 00 16 00 00 00 33 | .6.....13;1-1-11;2-2-3;..7.....3 |
760a0 | 3b 31 2d 33 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d | ;1-3-3;2-3-3;2-1-11;..8.....3;1- |
760c0 | 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | 2-3;2-3-3;..9.....3;1-2-3;2-2-3; |
760e0 | 32 2d 31 2d 31 39 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 | 2-1-19;..10.....3;1-2-3;1-1-19;2 |
76100 | 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -2-3;2-2-9;..11.....3;1-2-3;2-2- |
76120 | 33 3b 32 2d 31 2d 31 39 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b | 3;2-1-19;..12.....3;1-2-3;2-3-3; |
76140 | 00 02 31 33 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 | ..13.....19;1-1-3;1-2-9;2-2-3;.. |
76160 | 31 34 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 35 | 14.....9;1-1-19;2-1-3;2-1-9;..15 |
76180 | 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d | .....9;1-1-19;2-1-3;2-1-9;....sm |
761a0 | 69 6c 65 73 00 20 00 00 00 4e 3d 63 31 73 63 63 28 5b 6e 48 5d 31 29 63 31 63 63 63 28 63 63 31 | iles.....N=c1scc([nH]1)c1ccc(cc1 |
761c0 | 29 4e 28 3d 4f 29 3d 4f 00 02 69 6e 63 68 69 00 4d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 | )N(=O)=O..inchi.M...InChI=1S/C9H |
761e0 | 37 4e 33 4f 32 53 2f 63 31 30 2d 39 2d 31 31 2d 38 28 35 2d 31 35 2d 39 29 36 2d 31 2d 33 2d 37 | 7N3O2S/c10-9-11-8(5-15-9)6-1-3-7 |
76200 | 28 34 2d 32 2d 36 29 31 32 28 31 33 29 31 34 2f 68 31 2d 35 48 2c 28 48 32 2c 31 30 2c 31 31 29 | (4-2-6)12(13)14/h1-5H,(H2,10,11) |
76220 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 b4 d3 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at...eFP....created_at |
76240 | 00 b3 d3 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | ...eFP....default_fingerprint_si |
76260 | 7a 65 00 00 00 00 00 00 f6 03 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 5b 04 77 61 | ze..........._id.V..)+r.+@..[.wa |
76280 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 de 02 00 00 04 4d | rnings.......fingerprints......M |
762a0 | 50 32 44 00 d3 02 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 | P2D......0.....1;1-1-11;2-2-3;.. |
762c0 | 31 00 24 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 | 1.$...11;1-1-1;1-2-3;2-1-3;2-1-1 |
762e0 | 30 3b 32 2d 31 2d 31 31 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b | 0;2-1-11;..2.....3;1-2-11;2-1-1; |
76300 | 32 2d 32 2d 33 3b 00 02 33 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 | 2-2-3;..3.....11;1-2-3;2-1-3;2-1 |
76320 | 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 34 00 31 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 | -11;2-1-19;..4.1...3;1-1-3;1-1-1 |
76340 | 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d | 1;1-1-19;2-1-3;2-2-9;2-1-10;2-1- |
76360 | 31 31 3b 00 02 35 00 31 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 31 31 | 11;..5.1...3;1-1-3;1-1-10;1-1-11 |
76380 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 36 00 17 | ;2-1-1;2-2-3;2-1-11;2-1-19;..6.. |
763a0 | 00 00 00 31 30 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 37 00 24 00 00 | ...10;1-2-3;2-2-3;2-2-11;..7.$.. |
763c0 | 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 | .3;1-1-3;1-1-10;1-1-11;2-3-3;2-1 |
763e0 | 2d 31 31 3b 00 02 38 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 | -11;..8.....11;1-2-3;2-1-3;2-1-1 |
76400 | 30 3b 32 2d 31 2d 31 31 3b 00 02 39 00 10 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d 33 3b | 0;2-1-11;..9.....3;1-2-11;2-2-3; |
76420 | 00 02 31 30 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 | ..10.....11;1-2-3;2-1-3;2-2-11;. |
76440 | 02 31 31 00 24 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 32 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 | .11.$...3;1-1-3;1-2-11;2-3-3;2-1 |
76460 | 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 02 31 32 00 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | -11;2-1-13;..12.$...3;1-2-3;1-1- |
76480 | 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 30 3b 32 2d 33 2d 31 31 3b 00 02 31 33 00 17 00 00 00 | 11;2-1-3;2-1-10;2-3-11;..13..... |
764a0 | 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 34 00 17 00 00 00 33 | 11;1-2-3;2-2-3;2-1-11;..14.....3 |
764c0 | 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 31 35 00 1e 00 00 00 31 31 | ;1-2-11;2-2-3;2-1-13;..15.....11 |
764e0 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 36 00 | ;1-2-3;1-1-13;2-1-3;2-2-11;..16. |
76500 | 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 37 00 1d 00 00 00 31 39 3b | ....13;1-1-11;2-2-3;..17.....19; |
76520 | 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 38 00 16 00 | 1-1-3;1-2-9;2-1-3;2-1-11;..18... |
76540 | 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 39 00 16 00 00 00 | ..9;1-1-19;2-1-3;2-1-9;..19..... |
76560 | 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 | 9;1-1-19;2-1-3;2-1-9;....smiles. |
76580 | 23 00 00 00 43 6e 31 63 6e 63 28 63 31 53 63 31 6e 63 6e 63 32 63 31 6e 63 5b 6e 48 5d 32 29 4e | #...Cn1cnc(c1Sc1ncnc2c1nc[nH]2)N |
765a0 | 28 3d 4f 29 3d 4f 00 02 69 6e 63 68 69 00 65 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 37 4e | (=O)=O..inchi.e...InChI=1S/C9H7N |
765c0 | 37 4f 32 53 2f 63 31 2d 31 35 2d 34 2d 31 34 2d 37 28 31 36 28 31 37 29 31 38 29 39 28 31 35 29 | 7O2S/c1-15-4-14-7(16(17)18)9(15) |
765e0 | 31 39 2d 38 2d 35 2d 36 28 31 31 2d 32 2d 31 30 2d 35 29 31 32 2d 33 2d 31 33 2d 38 2f 68 32 2d | 19-8-5-6(11-2-10-5)12-3-13-8/h2- |
76600 | 34 48 2c 31 48 33 2c 28 48 2c 31 30 2c 31 31 2c 31 32 2c 31 33 29 00 09 75 70 64 61 74 65 64 5f | 4H,1H3,(H,10,11,12,13)..updated_ |
76620 | 61 74 00 bd d3 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 bb d3 65 46 50 01 00 00 10 | at...eFP....created_at...eFP.... |
76640 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 36 01 | default_fingerprint_size......6. |
76660 | 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 5c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V..)+r.+@..\.warnings.... |
76680 | 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 77 00 00 00 04 4d 50 32 44 00 6c 00 00 00 02 30 | ...fingerprints.w....MP2D.l....0 |
766a0 | 00 10 00 00 00 31 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 00 02 31 00 16 00 00 00 36 3b 31 2d | .....19;1-1-6;2-1-2;..1.....6;1- |
766c0 | 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 39 3b 00 02 32 00 16 00 00 00 32 3b 31 2d 31 2d 36 | 1-2;1-1-19;2-1-9;..2.....2;1-1-6 |
766e0 | 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 33 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d | ;1-1-9;2-1-19;..3.....9;1-1-2;2- |
76700 | 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 06 00 00 00 4e 4e 3d 43 4f 00 02 69 6e 63 68 69 00 | 1-6;....smiles.....NN=CO..inchi. |
76720 | 29 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 48 34 4e 32 4f 2f 63 32 2d 33 2d 31 2d 34 2f 68 31 48 | )...InChI=1S/CH4N2O/c2-3-1-4/h1H |
76740 | 2c 32 48 32 2c 28 48 2c 33 2c 34 29 00 09 75 70 64 61 74 65 64 5f 61 74 00 d6 d3 65 46 50 01 00 | ,2H2,(H,3,4)..updated_at...eFP.. |
76760 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 d4 d3 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at...eFP....default_fi |
76780 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 6b 01 00 00 07 5f 69 64 00 56 16 1e | ngerprint_size......k...._id.V.. |
767a0 | 29 2b 72 ed 2b 40 00 03 5d 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | )+r.+@..].warnings.......fingerp |
767c0 | 72 69 6e 74 73 00 a7 00 00 00 04 4d 50 32 44 00 9c 00 00 00 02 30 00 10 00 00 00 35 3b 31 2d 31 | rints......MP2D......0.....5;1-1 |
767e0 | 2d 31 39 3b 32 2d 31 2d 32 3b 00 02 31 00 1c 00 00 00 31 39 3b 31 2d 31 2d 32 3b 31 2d 31 2d 35 | -19;2-1-2;..1.....19;1-1-2;1-1-5 |
76800 | 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 32 00 1c 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 | ;2-1-6;2-1-9;..2.....2;1-1-6;1-1 |
76820 | 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 35 3b 00 02 33 00 16 00 00 00 36 3b 31 2d 31 2d 32 3b | -9;1-1-19;2-1-5;..3.....6;1-1-2; |
76840 | 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 34 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 | 2-1-9;2-1-19;..4.....9;1-1-2;2-1 |
76860 | 2d 36 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 09 00 00 00 4e 4e 43 28 3d 4e 29 | -6;2-1-19;....smiles.....NNC(=N) |
76880 | 4f 00 02 69 6e 63 68 69 00 2b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 48 35 4e 33 4f 2f 63 32 2d | O..inchi.+...InChI=1S/CH5N3O/c2- |
768a0 | 31 28 35 29 34 2d 33 2f 68 33 48 32 2c 28 48 33 2c 32 2c 34 2c 35 29 00 09 75 70 64 61 74 65 64 | 1(5)4-3/h3H2,(H3,2,4,5)..updated |
768c0 | 5f 61 74 00 dc d3 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 db d3 65 46 50 01 00 00 | _at...eFP....created_at...eFP... |
768e0 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 08 | .default_fingerprint_size....... |
76900 | 01 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 5e 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..)+r.+@..^.warnings... |
76920 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 52 00 00 00 04 4d 50 32 44 00 47 00 00 00 02 | ....fingerprints.R....MP2D.G.... |
76940 | 30 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 35 3b 00 02 31 00 0f 00 00 00 35 3b 31 2d | 0.....1;1-1-5;2-1-5;..1.....5;1- |
76960 | 31 2d 31 3b 31 2d 31 2d 35 3b 00 02 32 00 0f 00 00 00 35 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b | 1-1;1-1-5;..2.....5;1-1-5;2-1-1; |
76980 | 00 00 00 02 73 6d 69 6c 65 73 00 04 00 00 00 43 4e 4e 00 02 69 6e 63 68 69 00 22 00 00 00 49 6e | ....smiles.....CNN..inchi."...In |
769a0 | 43 68 49 3d 31 53 2f 43 48 36 4e 32 2f 63 31 2d 33 2d 32 2f 68 33 48 2c 32 48 32 2c 31 48 33 00 | ChI=1S/CH6N2/c1-3-2/h3H,2H2,1H3. |
769c0 | 09 75 70 64 61 74 65 64 5f 61 74 00 e3 d3 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at...eFP....created_at. |
769e0 | e2 d3 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | ..eFP....default_fingerprint_siz |
76a00 | 65 00 00 00 00 00 00 5f 01 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 5f 04 77 61 72 | e......_...._id.V..)+r.+@.._.war |
76a20 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 9b 00 00 00 04 4d 50 | nings.......fingerprints......MP |
76a40 | 32 44 00 90 00 00 00 02 30 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 38 3b 32 2d 32 | 2D......0.....8;1-1-10;2-1-8;2-2 |
76a60 | 2d 39 3b 00 02 31 00 10 00 00 00 31 30 3b 31 2d 32 2d 38 3b 31 2d 32 2d 39 3b 00 02 32 00 16 00 | -9;..1.....10;1-2-8;1-2-9;..2... |
76a80 | 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 33 00 16 00 00 00 39 | ..9;1-1-10;2-2-8;2-1-9;..3.....9 |
76aa0 | 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 34 00 16 00 00 00 38 3b 31 2d | ;1-1-10;2-2-8;2-1-9;..4.....8;1- |
76ac0 | 31 2d 31 30 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 0c 00 00 00 | 1-10;2-1-8;2-2-9;....smiles..... |
76ae0 | 4f 53 28 3d 4f 29 28 3d 4f 29 4f 00 02 69 6e 63 68 69 00 28 00 00 00 49 6e 43 68 49 3d 31 53 2f | OS(=O)(=O)O..inchi.(...InChI=1S/ |
76b00 | 48 32 4f 34 53 2f 63 31 2d 35 28 32 2c 33 29 34 2f 68 28 48 32 2c 31 2c 32 2c 33 2c 34 29 00 09 | H2O4S/c1-5(2,3)4/h(H2,1,2,3,4).. |
76b20 | 75 70 64 61 74 65 64 5f 61 74 00 ea d3 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e8 | updated_at...eFP....created_at.. |
76b40 | d3 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | .eFP....default_fingerprint_size |
76b60 | 00 00 00 00 00 00 8f 03 00 00 07 5f 69 64 00 56 16 1e 29 2b 72 ed 2b 40 00 03 60 04 77 61 72 6e | ..........._id.V..)+r.+@..`.warn |
76b80 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 7e 02 00 00 04 4d 50 32 | ings.......fingerprints.~....MP2 |
76ba0 | 44 00 73 02 00 00 02 30 00 10 00 00 00 31 34 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 | D.s....0.....14;1-1-3;2-2-3;..1. |
76bc0 | 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 34 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 34 3b | ....3;1-2-3;1-1-14;2-2-3;2-2-14; |
76be0 | 00 02 32 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 34 3b 32 2d 32 2d 33 3b 32 2d 31 | ..2.....3;1-2-3;1-1-14;2-2-3;2-1 |
76c00 | 2d 31 34 3b 00 02 33 00 10 00 00 00 31 34 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 34 00 16 | -14;..3.....14;1-1-3;2-2-3;..4.. |
76c20 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 34 3b 00 02 35 00 16 00 00 00 | ...3;1-2-3;2-2-3;2-2-14;..5..... |
76c40 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 34 3b 32 2d 33 2d 33 3b 00 02 36 00 16 00 00 00 33 3b 31 | 3;1-2-3;1-1-14;2-3-3;..6.....3;1 |
76c60 | 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 32 2d 31 34 3b 00 02 37 00 1d 00 00 00 33 3b 31 2d 32 2d | -3-3;2-4-3;2-2-14;..7.....3;1-2- |
76c80 | 33 3b 31 2d 31 2d 31 34 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 34 3b 00 02 38 00 10 00 00 00 31 34 | 3;1-1-14;2-3-3;2-1-14;..8.....14 |
76ca0 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 | ;1-1-3;2-2-3;..9.....3;1-3-3;2-4 |
76cc0 | 2d 33 3b 32 2d 32 2d 31 34 3b 00 02 31 30 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | -3;2-2-14;..10.....3;1-2-3;1-1-1 |
76ce0 | 34 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 34 3b 00 02 31 31 00 10 00 00 00 31 34 3b 31 2d 31 2d 33 | 4;2-3-3;2-1-14;..11.....14;1-1-3 |
76d00 | 3b 32 2d 32 2d 33 3b 00 02 31 32 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 34 3b 32 | ;2-2-3;..12.....3;1-2-3;1-1-14;2 |
76d20 | 2d 32 2d 33 3b 32 2d 32 2d 31 34 3b 00 02 31 33 00 10 00 00 00 31 34 3b 31 2d 31 2d 33 3b 32 2d | -2-3;2-2-14;..13.....14;1-1-3;2- |
76d40 | 32 2d 33 3b 00 02 31 34 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 34 3b 32 2d 32 2d | 2-3;..14.....3;1-2-3;1-1-14;2-2- |
76d60 | 33 3b 32 2d 32 2d 31 34 3b 00 02 31 35 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 34 | 3;2-2-14;..15.....3;1-2-3;1-1-14 |
76d80 | 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 34 3b 00 02 31 36 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | ;2-2-3;2-2-14;..16.....3;1-2-3;1 |
76da0 | 2d 31 2d 31 34 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 34 3b 00 02 31 37 00 10 00 00 00 31 34 3b 31 | -1-14;2-3-3;2-1-14;..17.....14;1 |
76dc0 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 38 00 10 00 00 00 31 34 3b 31 2d 31 2d 33 3b 32 2d 32 | -1-3;2-2-3;..18.....14;1-1-3;2-2 |
76de0 | 2d 33 3b 00 02 31 39 00 10 00 00 00 31 34 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 30 00 | -3;..19.....14;1-1-3;2-2-3;..20. |
76e00 | 10 00 00 00 31 34 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 31 00 | ....14;1-1-3;2-2-3;....smiles.1. |
76e20 | 00 00 42 72 63 31 63 28 42 72 29 63 63 28 63 28 63 31 42 72 29 63 31 63 28 42 72 29 63 28 42 72 | ..Brc1c(Br)cc(c(c1Br)c1c(Br)c(Br |
76e40 | 29 63 28 63 28 63 31 42 72 29 42 72 29 42 72 29 42 72 00 02 69 6e 63 68 69 00 50 00 00 00 49 6e | )c(c(c1Br)Br)Br)Br..inchi.P...In |
76e60 | 43 68 49 3d 31 53 2f 43 31 32 48 42 72 39 2f 63 31 33 2d 32 2d 31 2d 33 28 31 34 29 36 28 31 35 | ChI=1S/C12HBr9/c13-2-1-3(14)6(15 |
76e80 | 29 37 28 31 36 29 34 28 32 29 35 2d 38 28 31 37 29 31 30 28 31 39 29 31 32 28 32 31 29 31 31 28 | )7(16)4(2)5-8(17)10(19)12(21)11( |
76ea0 | 32 30 29 39 28 35 29 31 38 2f 68 31 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 0a d4 65 46 50 01 | 20)9(5)18/h1H..updated_at...eFP. |
76ec0 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 08 d4 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at...eFP....default_f |
76ee0 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 24 03 00 00 07 5f 69 64 00 56 16 | ingerprint_size......$...._id.V. |
76f00 | 1e 29 2b 72 ed 2b 40 00 03 61 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | .)+r.+@..a.warnings.......finger |
76f20 | 70 72 69 6e 74 73 00 24 02 00 00 04 4d 50 32 44 00 19 02 00 00 02 30 00 17 00 00 00 31 35 3b 31 | prints.$....MP2D......0.....15;1 |
76f40 | 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 31 00 16 00 00 00 32 3b 31 2d 31 2d | -1-2;2-1-2;2-1-15;..1.....2;1-1- |
76f60 | 32 3b 31 2d 32 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 32 00 1c 00 00 00 32 3b 31 2d 31 2d 32 3b 31 | 2;1-2-15;2-2-3;..2.....2;1-1-2;1 |
76f80 | 2d 32 2d 33 3b 32 2d 34 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 33 00 1b 00 00 00 33 3b 31 2d 31 2d | -2-3;2-4-3;2-2-15;..3.....3;1-1- |
76fa0 | 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 02 34 00 15 00 00 00 33 3b 31 2d | 2;1-2-3;2-1-2;2-3-3;..4.....3;1- |
76fc0 | 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | 2-3;2-1-2;2-2-3;..5.....3;1-2-3; |
76fe0 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | 2-2-3;2-1-15;..6.....3;1-2-3;1-1 |
77000 | 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | -15;2-2-3;..7.....3;1-2-3;2-2-3; |
77020 | 32 2d 31 2d 31 35 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 | 2-1-15;..8.....3;1-2-3;2-1-2;2-2 |
77040 | 2d 33 3b 00 02 39 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 1b | -3;..9.....15;1-1-3;2-2-3;..10.. |
77060 | 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 02 31 | ...3;1-1-2;1-2-3;2-1-2;2-3-3;..1 |
77080 | 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 32 00 16 | 1.....3;1-2-3;2-1-2;2-2-3;..12.. |
770a0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 33 00 16 00 00 | ...3;1-2-3;2-2-3;2-1-15;..13.... |
770c0 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 31 34 00 16 00 00 00 33 | .3;1-2-3;1-1-15;2-2-3;..14.....3 |
770e0 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 35 00 15 00 00 00 33 3b 31 | ;1-2-3;2-2-3;2-1-15;..15.....3;1 |
77100 | 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 36 00 10 00 00 00 31 35 3b 31 2d 31 | -2-3;2-1-2;2-2-3;..16.....15;1-1 |
77120 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 37 00 17 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 | -3;2-2-3;..17.....15;1-1-2;2-1-2 |
77140 | 3b 32 2d 31 2d 31 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 24 00 00 00 43 6c 43 28 3d 43 28 63 31 | ;2-1-15;....smiles.$...ClC(=C(c1 |
77160 | 63 63 63 28 63 63 31 29 43 6c 29 63 31 63 63 63 28 63 63 31 29 43 6c 29 43 6c 00 02 69 6e 63 68 | ccc(cc1)Cl)c1ccc(cc1)Cl)Cl..inch |
77180 | 69 00 4c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 38 43 6c 34 2f 63 31 35 2d 31 31 2d 35 | i.L...InChI=1S/C14H8Cl4/c15-11-5 |
771a0 | 2d 31 2d 39 28 32 2d 36 2d 31 31 29 31 33 28 31 34 28 31 37 29 31 38 29 31 30 2d 33 2d 37 2d 31 | -1-9(2-6-11)13(14(17)18)10-3-7-1 |
771c0 | 32 28 31 36 29 38 2d 34 2d 31 30 2f 68 31 2d 38 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 12 d4 | 2(16)8-4-10/h1-8H..updated_at... |
771e0 | 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 10 d4 65 46 50 01 00 00 10 64 65 66 61 75 | eFP....created_at...eFP....defau |
77200 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 14 03 00 00 07 5f 69 | lt_fingerprint_size..........._i |
77220 | 64 00 56 16 1e 2a 2b 72 ed 2b 40 00 03 62 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..*+r.+@..b.warnings.......fi |
77240 | 6e 67 65 72 70 72 69 6e 74 73 00 00 02 00 00 04 4d 50 32 44 00 f5 01 00 00 02 30 00 0f 00 00 00 | ngerprints......MP2D......0..... |
77260 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 3;1-2-3;2-2-3;..1.....3;1-2-3;2- |
77280 | 32 2d 33 3b 00 02 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 33 00 0f 00 | 2-3;..2.....3;1-2-3;2-3-3;..3... |
772a0 | 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b | ..3;1-3-3;2-4-3;..4.....3;1-3-3; |
772c0 | 32 2d 35 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 36 00 | 2-5-3;..5.....3;1-2-3;2-3-3;..6. |
772e0 | 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 35 2d 33 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d | ....3;1-3-3;2-5-3;..7.....3;1-2- |
77300 | 33 3b 32 2d 34 2d 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 | 3;2-4-3;..8.....3;1-3-3;2-4-3;.. |
77320 | 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 | 9.....3;1-2-3;2-3-3;..10.....3;1 |
77340 | 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d | -2-3;2-3-3;..11.....3;1-3-3;2-4- |
77360 | 33 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 35 2d 33 3b 00 02 31 33 00 0f 00 | 3;..12.....3;1-3-3;2-5-3;..13... |
77380 | 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 35 2d 33 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | ..3;1-3-3;2-5-3;..14.....3;1-2-3 |
773a0 | 3b 32 2d 34 2d 33 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 | ;2-4-3;..15.....3;1-3-3;2-4-3;.. |
773c0 | 31 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 37 00 0f 00 00 00 33 3b | 16.....3;1-2-3;2-3-3;..17.....3; |
773e0 | 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 | 1-2-3;2-3-3;..18.....3;1-2-3;2-3 |
77400 | 2d 33 3b 00 02 31 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 30 00 0f | -3;..19.....3;1-2-3;2-2-3;..20.. |
77420 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 31 00 0f 00 00 00 33 3b 31 2d 32 2d | ...3;1-2-3;2-2-3;..21.....3;1-2- |
77440 | 33 3b 32 2d 33 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 25 00 00 00 63 31 63 63 63 32 63 28 63 | 3;2-3-3;....smiles.%...c1ccc2c(c |
77460 | 31 29 63 31 63 63 33 63 63 63 34 63 28 63 33 63 63 31 63 63 32 29 63 63 63 63 34 00 02 69 6e 63 | 1)c1cc3ccc4c(c3cc1cc2)cccc4..inc |
77480 | 68 69 00 5f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 32 48 31 34 2f 63 31 2d 33 2d 37 2d 31 39 | hi._...InChI=1S/C22H14/c1-3-7-19 |
774a0 | 2d 31 35 28 35 2d 31 29 39 2d 31 31 2d 31 37 2d 31 34 2d 32 32 2d 31 38 28 31 33 2d 32 31 28 31 | -15(5-1)9-11-17-14-22-18(13-21(1 |
774c0 | 37 29 31 39 29 31 32 2d 31 30 2d 31 36 2d 36 2d 32 2d 34 2d 38 2d 32 30 28 31 36 29 32 32 2f 68 | 7)19)12-10-16-6-2-4-8-20(16)22/h |
774e0 | 31 2d 31 34 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 1f d4 65 46 50 01 00 00 09 63 72 65 61 74 | 1-14H..updated_at...eFP....creat |
77500 | 65 64 5f 61 74 00 1e d4 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at...eFP....default_fingerpri |
77520 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 f6 03 00 00 07 5f 69 64 00 56 16 1e 2a 2b 72 ed 2b 40 00 | nt_size..........._id.V..*+r.+@. |
77540 | 03 63 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c8 | .c.warnings.......fingerprints.. |
77560 | 02 00 00 04 4d 50 32 44 00 bd 02 00 00 02 30 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d | ....MP2D......0.....9;1-1-2;2-2- |
77580 | 33 3b 00 02 31 00 15 00 00 00 32 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 34 2d 33 3b 00 02 | 3;..1.....2;1-2-3;1-1-9;2-4-3;.. |
775a0 | 32 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 39 3b | 2.....3;1-1-2;1-2-3;2-4-3;2-1-9; |
775c0 | 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 00 | ..3.....3;1-2-3;2-1-2;2-2-3;..4. |
775e0 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d | ....3;1-2-3;2-2-3;..5.....3;1-2- |
77600 | 33 3b 32 2d 32 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 | 3;2-2-3;..6.....3;1-2-3;2-3-3;.. |
77620 | 37 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 31 2d 32 3b 32 2d 34 2d 33 3b 00 02 38 00 0f 00 | 7.....3;1-3-3;2-1-2;2-4-3;..8... |
77640 | 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 35 2d 33 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b | ..3;1-3-3;2-5-3;..9.....3;1-3-3; |
77660 | 32 2d 31 2d 32 3b 32 2d 35 2d 33 3b 00 02 31 30 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 | 2-1-2;2-5-3;..10.....3;1-1-2;1-2 |
77680 | 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-4-3;2-1-9;..11.....3;1-2-3; |
776a0 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 | 2-1-2;2-2-3;..12.....3;1-2-3;2-3 |
776c0 | 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 35 2d 33 3b 00 02 31 34 00 15 | -3;..13.....3;1-3-3;2-5-3;..14.. |
776e0 | 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 31 2d 32 3b 32 2d 35 2d 33 3b 00 02 31 35 00 1b 00 00 00 | ...3;1-3-3;2-1-2;2-5-3;..15..... |
77700 | 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 36 00 15 | 3;1-1-2;1-2-3;2-4-3;2-1-9;..16.. |
77720 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 37 00 0f 00 00 00 | ...3;1-2-3;2-1-2;2-2-3;..17..... |
77740 | 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 38 00 15 00 00 00 32 3b 31 2d 32 2d 33 3b 31 | 3;1-2-3;2-3-3;..18.....2;1-2-3;1 |
77760 | 2d 31 2d 39 3b 32 2d 34 2d 33 3b 00 02 31 39 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d | -1-9;2-4-3;..19.....9;1-1-2;2-2- |
77780 | 33 3b 00 02 32 30 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 32 | 3;..20.....3;1-1-2;1-2-3;2-4-3;2 |
777a0 | 2d 31 2d 39 3b 00 02 32 31 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 31 2d 32 3b 32 2d 34 2d | -1-9;..21.....3;1-3-3;2-1-2;2-4- |
777c0 | 33 3b 00 02 32 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 32 33 00 0f 00 | 3;..22.....3;1-2-3;2-3-3;..23... |
777e0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | ..3;1-2-3;2-2-3;..24.....3;1-2-3 |
77800 | 3b 32 2d 32 2d 33 3b 00 02 32 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d | ;2-2-3;..25.....3;1-2-3;2-1-2;2- |
77820 | 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 2d 00 00 00 4f 3d 43 31 63 32 63 63 63 63 63 32 63 | 2-3;....smiles.-...O=C1c2ccccc2c |
77840 | 32 63 33 63 31 63 63 63 31 63 33 63 28 63 63 32 29 43 28 3d 4f 29 63 32 63 31 63 63 63 63 32 00 | 2c3c1ccc1c3c(cc2)C(=O)c2c1cccc2. |
77860 | 02 69 6e 63 68 69 00 71 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 34 48 31 32 4f 32 2f 63 32 35 | .inchi.q...InChI=1S/C24H12O2/c25 |
77880 | 2d 32 33 2d 31 37 2d 37 2d 33 2d 31 2d 35 2d 31 33 28 31 37 29 31 35 2d 39 2d 31 31 2d 32 30 2d | -23-17-7-3-1-5-13(17)15-9-11-20- |
778a0 | 32 32 2d 31 36 28 31 30 2d 31 32 2d 31 39 28 32 33 29 32 31 28 31 35 29 32 32 29 31 34 2d 36 2d | 22-16(10-12-19(23)21(15)22)14-6- |
778c0 | 32 2d 34 2d 38 2d 31 38 28 31 34 29 32 34 28 32 30 29 32 36 2f 68 31 2d 31 32 48 00 09 75 70 64 | 2-4-8-18(14)24(20)26/h1-12H..upd |
778e0 | 61 74 65 64 5f 61 74 00 28 d4 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 27 d4 65 46 | ated_at.(.eFP....created_at.'.eF |
77900 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
77920 | 00 00 00 33 01 00 00 07 5f 69 64 00 56 16 1e 2a 2b 72 ed 2b 40 00 03 64 04 77 61 72 6e 69 6e 67 | ...3...._id.V..*+r.+@..d.warning |
77940 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 7a 00 00 00 04 4d 50 32 44 00 6f | s.......fingerprints.z....MP2D.o |
77960 | 00 00 00 02 30 00 17 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b | ....0.....15;1-1-2;2-1-2;2-1-15; |
77980 | 00 02 31 00 10 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 32 2d 31 35 3b 00 02 32 00 10 00 00 00 32 | ..1.....2;1-1-2;1-2-15;..2.....2 |
779a0 | 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 35 3b 00 02 33 00 17 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 | ;1-1-2;2-2-15;..3.....15;1-1-2;2 |
779c0 | 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 0a 00 00 00 43 6c 43 28 3d | -1-2;2-1-15;....smiles.....ClC(= |
779e0 | 43 29 43 6c 00 02 69 6e 63 68 69 00 1f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 32 43 6c 32 | C)Cl..inchi.....InChI=1S/C2H2Cl2 |
77a00 | 2f 63 31 2d 32 28 33 29 34 2f 68 31 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 38 d4 65 46 50 | /c1-2(3)4/h1H2..updated_at.8.eFP |
77a20 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 36 d4 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.6.eFP....default_ |
77a40 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 87 01 00 00 07 5f 69 64 00 56 | fingerprint_size..........._id.V |
77a60 | 16 1e 2a 2b 72 ed 2b 40 00 03 65 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..*+r.+@..e.warnings.......finge |
77a80 | 72 70 72 69 6e 74 73 00 c4 00 00 00 04 4d 50 32 44 00 b9 00 00 00 02 30 00 17 00 00 00 31 35 3b | rprints......MP2D......0.....15; |
77aa0 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 31 00 17 00 00 00 31 3b 31 2d 31 | 1-1-1;2-1-1;2-1-15;..1.....1;1-1 |
77ac0 | 2d 31 3b 31 2d 32 2d 31 35 3b 32 2d 32 2d 31 35 3b 00 02 32 00 17 00 00 00 31 3b 31 2d 31 2d 31 | -1;1-2-15;2-2-15;..2.....1;1-1-1 |
77ae0 | 3b 31 2d 32 2d 31 35 3b 32 2d 32 2d 31 35 3b 00 02 33 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b | ;1-2-15;2-2-15;..3.....15;1-1-1; |
77b00 | 32 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 34 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d | 2-1-1;2-1-15;..4.....15;1-1-1;2- |
77b20 | 31 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 35 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d | 1-1;2-1-15;..5.....15;1-1-1;2-1- |
77b40 | 31 3b 32 2d 31 2d 31 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 0f 00 00 00 43 6c 43 28 43 28 43 6c | 1;2-1-15;....smiles.....ClC(C(Cl |
77b60 | 29 43 6c 29 43 6c 00 02 69 6e 63 68 69 00 24 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 32 43 | )Cl)Cl..inchi.$...InChI=1S/C2H2C |
77b80 | 6c 34 2f 63 33 2d 31 28 34 29 32 28 35 29 36 2f 68 31 2d 32 48 00 09 75 70 64 61 74 65 64 5f 61 | l4/c3-1(4)2(5)6/h1-2H..updated_a |
77ba0 | 74 00 3e d4 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 3d d4 65 46 50 01 00 00 10 64 | t.>.eFP....created_at.=.eFP....d |
77bc0 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 5a 01 00 | efault_fingerprint_size......Z.. |
77be0 | 00 07 5f 69 64 00 56 16 1e 2a 2b 72 ed 2b 40 00 03 66 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V..*+r.+@..f.warnings..... |
77c00 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 9f 00 00 00 04 4d 50 32 44 00 94 00 00 00 02 30 00 | ..fingerprints......MP2D......0. |
77c20 | 10 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 02 31 00 17 00 00 00 32 3b 31 2d 31 | ....15;1-1-2;2-1-2;..1.....2;1-1 |
77c40 | 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 31 35 3b 00 02 32 00 17 00 00 00 32 3b 31 2d 31 2d 32 | -2;1-1-15;2-2-15;..2.....2;1-1-2 |
77c60 | 3b 31 2d 32 2d 31 35 3b 32 2d 31 2d 31 35 3b 00 02 33 00 17 00 00 00 31 35 3b 31 2d 31 2d 32 3b | ;1-2-15;2-1-15;..3.....15;1-1-2; |
77c80 | 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 34 00 17 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d | 2-1-2;2-1-15;..4.....15;1-1-2;2- |
77ca0 | 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 0c 00 00 00 43 6c 43 3d 43 28 | 1-2;2-1-15;....smiles.....ClC=C( |
77cc0 | 43 6c 29 43 6c 00 02 69 6e 63 68 69 00 1f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 43 6c 33 | Cl)Cl..inchi.....InChI=1S/C2HCl3 |
77ce0 | 2f 63 33 2d 31 2d 32 28 34 29 35 2f 68 31 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 53 d4 65 46 | /c3-1-2(4)5/h1H..updated_at.S.eF |
77d00 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 52 d4 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at.R.eFP....default |
77d20 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 91 01 00 00 07 5f 69 64 00 | _fingerprint_size..........._id. |
77d40 | 56 16 1e 2a 2b 72 ed 2b 40 00 03 67 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..*+r.+@..g.warnings.......fing |
77d60 | 65 72 70 72 69 6e 74 73 00 ce 00 00 00 04 4d 50 32 44 00 c3 00 00 00 02 30 00 16 00 00 00 31 3b | erprints......MP2D......0.....1; |
77d80 | 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 00 1d 00 00 00 32 38 3b 31 2d | 1-1-28;2-1-1;2-1-2;..1.....28;1- |
77da0 | 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 35 3b 00 02 32 00 1d 00 00 00 32 | 2-1;1-1-2;2-1-9;2-1-15;..2.....2 |
77dc0 | 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 35 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 00 02 33 00 17 | ;1-1-9;1-1-15;1-1-28;2-2-1;..3.. |
77de0 | 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 02 34 00 17 00 00 | ...9;1-1-2;2-1-15;2-1-28;..4.... |
77e00 | 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 35 00 16 00 00 00 31 | .15;1-1-2;2-1-9;2-1-28;..5.....1 |
77e20 | 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 0d | ;1-1-28;2-1-1;2-1-2;....smiles.. |
77e40 | 00 00 00 43 4e 28 43 28 3d 4f 29 43 6c 29 43 00 02 69 6e 63 68 69 00 26 00 00 00 49 6e 43 68 49 | ...CN(C(=O)Cl)C..inchi.&...InChI |
77e60 | 3d 31 53 2f 43 33 48 36 43 6c 4e 4f 2f 63 31 2d 35 28 32 29 33 28 34 29 36 2f 68 31 2d 32 48 33 | =1S/C3H6ClNO/c1-5(2)3(4)6/h1-2H3 |
77e80 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 61 d4 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.a.eFP....created_at |
77ea0 | 00 5f d4 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | ._.eFP....default_fingerprint_si |
77ec0 | 7a 65 00 00 00 00 00 00 96 01 00 00 07 5f 69 64 00 56 16 1e 2a 2b 72 ed 2b 40 00 03 68 04 77 61 | ze..........._id.V..*+r.+@..h.wa |
77ee0 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 d4 00 00 00 04 4d | rnings.......fingerprints......M |
77f00 | 50 32 44 00 c9 00 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 | P2D......0.....15;1-1-1;2-1-1;.. |
77f20 | 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 38 3b 00 02 32 00 1c | 1.....1;1-1-1;1-1-15;2-1-8;..2.. |
77f40 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 | ...1;1-1-1;1-1-8;2-1-1;2-1-15;.. |
77f60 | 33 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 34 00 1c 00 00 00 31 3b 31 2d | 3.....8;1-2-1;2-2-1;..4.....1;1- |
77f80 | 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 35 00 16 00 00 00 31 | 1-1;1-1-8;2-1-1;2-1-15;..5.....1 |
77fa0 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 38 3b 00 02 36 00 10 00 00 00 31 35 3b 31 | ;1-1-1;1-1-15;2-1-8;..6.....15;1 |
77fc0 | 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 0a 00 00 00 43 6c 43 43 4f 43 | -1-1;2-1-1;....smiles.....ClCCOC |
77fe0 | 43 43 6c 00 02 69 6e 63 68 69 00 28 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 38 43 6c 32 4f | CCl..inchi.(...InChI=1S/C4H8Cl2O |
78000 | 2f 63 35 2d 31 2d 33 2d 37 2d 34 2d 32 2d 36 2f 68 31 2d 34 48 32 00 09 75 70 64 61 74 65 64 5f | /c5-1-3-7-4-2-6/h1-4H2..updated_ |
78020 | 61 74 00 6a d4 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 68 d4 65 46 50 01 00 00 10 | at.j.eFP....created_at.h.eFP.... |
78040 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 bc 01 | default_fingerprint_size........ |
78060 | 00 00 07 5f 69 64 00 56 16 1e 2a 2b 72 ed 2b 40 00 03 69 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V..*+r.+@..i.warnings.... |
78080 | 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 f6 00 00 00 04 4d 50 32 44 00 eb 00 00 00 02 30 | ...fingerprints......MP2D......0 |
780a0 | 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 16 00 00 00 31 3b 31 2d | .....15;1-1-1;2-1-8;..1.....1;1- |
780c0 | 31 2d 38 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 00 02 32 00 16 00 00 00 38 3b 31 2d 32 2d 31 | 1-8;1-1-15;2-1-1;..2.....8;1-2-1 |
780e0 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | ;2-1-1;2-1-15;..3.....1;1-1-1;1- |
78100 | 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b | 1-8;2-1-1;2-1-8;..4.....1;1-1-1; |
78120 | 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 16 00 00 00 38 3b 31 2d 32 2d | 1-1-8;2-1-1;2-1-8;..5.....8;1-2- |
78140 | 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 36 00 16 00 00 00 31 3b 31 2d 31 2d 38 3b 31 | 1;2-1-1;2-1-15;..6.....1;1-1-8;1 |
78160 | 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 00 02 37 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 | -1-15;2-1-1;..7.....15;1-1-1;2-1 |
78180 | 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 0b 00 00 00 43 6c 43 4f 43 43 4f 43 43 6c 00 02 69 6e | -8;....smiles.....ClCOCCOCCl..in |
781a0 | 63 68 69 00 2b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 38 43 6c 32 4f 32 2f 63 35 2d 33 2d | chi.+...InChI=1S/C4H8Cl2O2/c5-3- |
781c0 | 37 2d 31 2d 32 2d 38 2d 34 2d 36 2f 68 31 2d 34 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 70 | 7-1-2-8-4-6/h1-4H2..updated_at.p |
781e0 | d4 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 6e d4 65 46 50 01 00 00 10 64 65 66 61 | .eFP....created_at.n.eFP....defa |
78200 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 38 02 00 00 07 5f | ult_fingerprint_size......8...._ |
78220 | 69 64 00 56 16 1e 2a 2b 72 ed 2b 40 00 03 6a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..*+r.+@..j.warnings.......f |
78240 | 69 6e 67 65 72 70 72 69 6e 74 73 00 66 01 00 00 04 4d 50 32 44 00 5b 01 00 00 02 30 00 10 00 00 | ingerprints.f....MP2D.[....0.... |
78260 | 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 00 16 00 00 00 36 3b 31 2d 31 2d 39 3b | .9;1-1-6;2-1-19;..1.....6;1-1-9; |
78280 | 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 32 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d | 1-1-19;2-2-1;..2.....19;1-2-1;1- |
782a0 | 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b | 1-6;2-2-1;2-1-9;..3.#...1;1-1-1; |
782c0 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 34 00 23 00 | 1-1-19;2-1-1;2-1-6;2-1-19;..4.#. |
782e0 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 | ..1;1-1-1;1-1-19;2-1-1;2-1-6;2-1 |
78300 | 2d 31 39 3b 00 02 35 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 | -19;..5.....19;1-2-1;1-1-6;2-2-1 |
78320 | 3b 32 2d 31 2d 39 3b 00 02 36 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d | ;2-1-9;..6.#...1;1-1-1;1-1-19;2- |
78340 | 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 37 00 23 00 00 00 31 3b 31 2d 31 2d 31 | 1-1;2-1-6;2-1-19;..7.#...1;1-1-1 |
78360 | 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 38 00 16 | ;1-1-19;2-1-1;2-1-6;2-1-19;..8.. |
78380 | 00 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 39 00 10 00 00 00 | ...6;1-1-9;1-1-19;2-2-1;..9..... |
783a0 | 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 11 00 00 00 4f 3d | 9;1-1-6;2-1-19;....smiles.....O= |
783c0 | 4e 4e 31 43 43 4e 28 43 43 31 29 4e 3d 4f 00 02 69 6e 63 68 69 00 31 00 00 00 49 6e 43 68 49 3d | NN1CCN(CC1)N=O..inchi.1...InChI= |
783e0 | 31 53 2f 43 34 48 38 4e 34 4f 32 2f 63 39 2d 35 2d 37 2d 31 2d 32 2d 38 28 36 2d 31 30 29 34 2d | 1S/C4H8N4O2/c9-5-7-1-2-8(6-10)4- |
78400 | 33 2d 37 2f 68 31 2d 34 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 7a d4 65 46 50 01 00 00 09 | 3-7/h1-4H2..updated_at.z.eFP.... |
78420 | 63 72 65 61 74 65 64 5f 61 74 00 78 d4 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at.x.eFP....default_fing |
78440 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 b2 02 00 00 07 5f 69 64 00 56 16 1e 2a 2b | erprint_size..........._id.V..*+ |
78460 | 72 ed 2b 40 00 03 6b 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.+@..k.warnings.......fingerpri |
78480 | 6e 74 73 00 ca 01 00 00 04 4d 50 32 44 00 bf 01 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d | nts......MP2D......0.....15;1-1- |
784a0 | 33 3b 32 2d 32 2d 33 3b 00 02 31 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 | 3;2-2-3;..1.....3;1-2-3;1-1-15;2 |
784c0 | 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 32 00 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | -2-3;2-2-15;..2.$...3;1-2-3;1-1- |
784e0 | 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 31 39 3b 00 02 33 00 10 00 00 00 31 | 15;2-2-3;2-1-15;2-1-19;..3.....1 |
78500 | 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 34 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 5;1-1-3;2-2-3;..4.#...3;1-2-3;1- |
78520 | 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 32 2d 32 2d 31 35 3b 00 02 35 00 16 00 00 00 | 1-19;2-2-3;2-2-9;2-2-15;..5..... |
78540 | 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 36 00 16 00 00 00 39 3b 31 | 19;1-1-3;1-2-9;2-2-3;..6.....9;1 |
78560 | 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 37 00 16 00 00 00 39 3b 31 2d 31 2d | -1-19;2-1-3;2-1-9;..7.....9;1-1- |
78580 | 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 38 00 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 19;2-1-3;2-1-9;..8.$...3;1-2-3;1 |
785a0 | 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 31 39 3b 00 02 39 00 1d 00 | -1-15;2-2-3;2-1-15;2-1-19;..9... |
785c0 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 | ..3;1-2-3;1-1-15;2-2-3;2-2-15;.. |
785e0 | 31 30 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 32 2d | 10.....3;1-2-3;1-1-15;2-2-3;2-2- |
78600 | 31 35 3b 00 02 31 31 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 | 15;..11.....15;1-1-3;2-2-3;..12. |
78620 | 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 10 00 00 00 31 35 3b 31 | ....15;1-1-3;2-2-3;..13.....15;1 |
78640 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 22 00 00 00 43 6c 63 31 63 28 | -1-3;2-2-3;....smiles."...Clc1c( |
78660 | 43 6c 29 63 28 4e 28 3d 4f 29 3d 4f 29 63 28 63 28 63 31 43 6c 29 43 6c 29 43 6c 00 02 69 6e 63 | Cl)c(N(=O)=O)c(c(c1Cl)Cl)Cl..inc |
78680 | 68 69 00 36 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 43 6c 35 4e 4f 32 2f 63 37 2d 31 2d 32 28 | hi.6...InChI=1S/C6Cl5NO2/c7-1-2( |
786a0 | 38 29 34 28 31 30 29 36 28 31 32 28 31 33 29 31 34 29 35 28 31 31 29 33 28 31 29 39 00 09 75 70 | 8)4(10)6(12(13)14)5(11)3(1)9..up |
786c0 | 64 61 74 65 64 5f 61 74 00 91 d4 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 90 d4 65 | dated_at...eFP....created_at...e |
786e0 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
78700 | 00 00 00 00 de 01 00 00 07 5f 69 64 00 56 16 1e 2a 2b 72 ed 2b 40 00 03 6c 04 77 61 72 6e 69 6e | ........._id.V..*+r.+@..l.warnin |
78720 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 13 01 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
78740 | 08 01 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 00 16 00 | .....0.....9;1-1-6;2-1-19;..1... |
78760 | 00 00 36 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 32 00 1c 00 00 00 31 | ..6;1-1-9;1-1-19;2-2-1;..2.....1 |
78780 | 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 1c 00 | 9;1-2-1;1-1-6;2-2-1;2-1-9;..3... |
787a0 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 34 | ..1;1-1-1;1-1-19;2-2-1;2-1-6;..4 |
787c0 | 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 35 00 0f 00 | .....1;1-2-1;2-1-1;2-1-19;..5... |
787e0 | 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 36 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b | ..1;1-2-1;2-2-1;..6.....1;1-2-1; |
78800 | 32 2d 32 2d 31 3b 00 02 37 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d | 2-2-1;..7.....1;1-2-1;2-1-1;2-1- |
78820 | 31 39 3b 00 02 38 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b | 19;..8.....1;1-1-1;1-1-19;2-2-1; |
78840 | 32 2d 31 2d 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 0d 00 00 00 4f 3d 4e 4e 31 43 43 43 43 43 43 | 2-1-6;....smiles.....O=NN1CCCCCC |
78860 | 31 00 02 69 6e 63 68 69 00 2e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 32 4e 32 4f 2f 63 | 1..inchi.....InChI=1S/C6H12N2O/c |
78880 | 39 2d 37 2d 38 2d 35 2d 33 2d 31 2d 32 2d 34 2d 36 2d 38 2f 68 31 2d 36 48 32 00 09 75 70 64 61 | 9-7-8-5-3-1-2-4-6-8/h1-6H2..upda |
788a0 | 74 65 64 5f 61 74 00 9c d4 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 9b d4 65 46 50 | ted_at...eFP....created_at...eFP |
788c0 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
788e0 | 00 00 07 02 00 00 07 5f 69 64 00 56 16 1e 2a 2b 72 ed 2b 40 00 03 6d 04 77 61 72 6e 69 6e 67 73 | ......._id.V..*+r.+@..m.warnings |
78900 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 32 01 00 00 04 4d 50 32 44 00 27 01 | .......fingerprints.2....MP2D.'. |
78920 | 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 | ...0.....15;1-1-3;2-2-3;..1..... |
78940 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 | 3;1-2-3;1-1-15;2-2-3;..2.....3;1 |
78960 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 32 2d | -2-3;2-2-3;2-1-15;..3.....3;1-2- |
78980 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 3;2-2-3;2-1-19;..4.....3;1-2-3;1 |
789a0 | 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d | -1-19;2-2-3;2-2-9;..5.....3;1-2- |
789c0 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;2-2-3;2-1-19;..6.....3;1-2-3;2 |
789e0 | 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 37 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 | -2-3;2-1-15;..7.....19;1-1-3;1-2 |
78a00 | 2d 39 3b 32 2d 32 2d 33 3b 00 02 38 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b | -9;2-2-3;..8.....9;1-1-19;2-1-3; |
78a20 | 32 2d 31 2d 39 3b 00 02 39 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 | 2-1-9;..9.....9;1-1-19;2-1-3;2-1 |
78a40 | 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 14 00 00 00 43 6c 63 31 63 63 63 28 63 63 31 29 4e 28 | -9;....smiles.....Clc1ccc(cc1)N( |
78a60 | 3d 4f 29 3d 4f 00 02 69 6e 63 68 69 00 31 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 34 43 6c | =O)=O..inchi.1...InChI=1S/C6H4Cl |
78a80 | 4e 4f 32 2f 63 37 2d 35 2d 31 2d 33 2d 36 28 34 2d 32 2d 35 29 38 28 39 29 31 30 2f 68 31 2d 34 | NO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4 |
78aa0 | 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 a7 d4 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | H..updated_at...eFP....created_a |
78ac0 | 74 00 a5 d4 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t...eFP....default_fingerprint_s |
78ae0 | 69 7a 65 00 00 00 00 00 00 05 02 00 00 07 5f 69 64 00 56 16 1e 2a 2b 72 ed 2b 40 00 03 6e 04 77 | ize..........._id.V..*+r.+@..n.w |
78b00 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 32 01 00 00 04 | arnings.......fingerprints.2.... |
78b20 | 4d 50 32 44 00 27 01 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 | MP2D.'....0.....9;1-1-19;2-1-3;2 |
78b40 | 2d 31 2d 39 3b 00 02 31 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d | -1-9;..1.....19;1-1-3;1-2-9;2-2- |
78b60 | 33 3b 00 02 32 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 | 3;..2.....9;1-1-19;2-1-3;2-1-9;. |
78b80 | 02 33 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d | .3.#...3;1-2-3;1-1-19;2-2-3;2-2- |
78ba0 | 39 3b 32 2d 31 2d 31 35 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 9;2-1-15;..4.....3;1-2-3;2-2-3;2 |
78bc0 | 2d 31 2d 31 39 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 | -1-19;..5.....3;1-2-3;2-2-3;..6. |
78be0 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d | ....3;1-2-3;2-2-3;..7.....3;1-2- |
78c00 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 38 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 3;2-2-3;2-1-15;..8.....3;1-2-3;1 |
78c20 | 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 39 00 10 00 00 00 31 35 3b 31 2d | -1-15;2-2-3;2-1-19;..9.....15;1- |
78c40 | 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 12 00 00 00 4f 3d 4e 28 3d 4f 29 | 1-3;2-2-3;....smiles.....O=N(=O) |
78c60 | 63 31 63 63 63 63 63 31 43 6c 00 02 69 6e 63 68 69 00 31 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | c1ccccc1Cl..inchi.1...InChI=1S/C |
78c80 | 36 48 34 43 6c 4e 4f 32 2f 63 37 2d 35 2d 33 2d 31 2d 32 2d 34 2d 36 28 35 29 38 28 39 29 31 30 | 6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10 |
78ca0 | 2f 68 31 2d 34 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 ad d4 65 46 50 01 00 00 09 63 72 65 61 | /h1-4H..updated_at...eFP....crea |
78cc0 | 74 65 64 5f 61 74 00 ac d4 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at...eFP....default_fingerpr |
78ce0 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 62 02 00 00 07 5f 69 64 00 56 16 1e 2a 2b 72 ed 2b 40 | int_size......b...._id.V..*+r.+@ |
78d00 | 00 03 6f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 | ..o.warnings.......fingerprints. |
78d20 | 82 01 00 00 04 4d 50 32 44 00 77 01 00 00 02 30 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d | .....MP2D.w....0.....19;1-1-3;2- |
78d40 | 32 2d 33 3b 00 02 31 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 | 2-3;..1.....3;1-2-3;1-1-19;2-2-3 |
78d60 | 3b 32 2d 32 2d 31 36 3b 00 02 32 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 36 3b 32 | ;2-2-16;..2.....3;1-2-3;1-1-16;2 |
78d80 | 2d 32 2d 33 3b 32 2d 32 2d 31 39 3b 00 02 33 00 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b 32 2d 32 | -2-3;2-2-19;..3.....16;1-1-3;2-2 |
78da0 | 2d 33 3b 00 02 34 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b | -3;..4.....3;1-2-3;1-1-19;2-2-3; |
78dc0 | 32 2d 32 2d 31 36 3b 00 02 35 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 | 2-2-16;..5.....19;1-1-3;2-2-3;.. |
78de0 | 36 00 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | 6.$...3;1-2-3;1-1-16;2-2-3;2-1-1 |
78e00 | 36 3b 32 2d 31 2d 31 39 3b 00 02 37 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 36 3b | 6;2-1-19;..7.....3;1-2-3;1-1-16; |
78e20 | 32 2d 32 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 38 00 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | 2-2-3;2-2-16;..8.$...3;1-2-3;1-1 |
78e40 | 2d 31 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 32 2d 31 2d 31 39 3b 00 02 39 00 10 00 00 00 | -16;2-2-3;2-1-16;2-1-19;..9..... |
78e60 | 31 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 10 00 00 00 31 36 3b 31 2d 31 2d 33 | 16;1-1-3;2-2-3;..10.....16;1-1-3 |
78e80 | 3b 32 2d 32 2d 33 3b 00 02 31 31 00 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | ;2-2-3;..11.....16;1-1-3;2-2-3;. |
78ea0 | 00 00 02 73 6d 69 6c 65 73 00 17 00 00 00 4e 63 31 63 28 46 29 63 28 4e 29 63 28 63 28 63 31 46 | ...smiles.....Nc1c(F)c(N)c(c(c1F |
78ec0 | 29 46 29 46 00 02 69 6e 63 68 69 00 39 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 34 46 34 4e | )F)F..inchi.9...InChI=1S/C6H4F4N |
78ee0 | 32 2f 63 37 2d 31 2d 32 28 38 29 35 28 31 31 29 34 28 31 30 29 36 28 31 32 29 33 28 31 29 39 2f | 2/c7-1-2(8)5(11)4(10)6(12)3(1)9/ |
78f00 | 68 31 31 2d 31 32 48 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 b4 d4 65 46 50 01 00 00 09 63 72 | h11-12H2..updated_at...eFP....cr |
78f20 | 65 61 74 65 64 5f 61 74 00 b2 d4 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at...eFP....default_finger |
78f40 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 ae 01 00 00 07 5f 69 64 00 56 16 1e 2a 2b 72 ed | print_size..........._id.V..*+r. |
78f60 | 2b 40 00 03 70 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | +@..p.warnings.......fingerprint |
78f80 | 73 00 e4 00 00 00 04 4d 50 32 44 00 d9 00 00 00 02 30 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 | s......MP2D......0.....9;1-1-2;2 |
78fa0 | 2d 32 2d 32 3b 00 02 31 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 39 3b 32 2d 32 2d 32 | -2-2;..1.....2;1-2-2;1-1-9;2-2-2 |
78fc0 | 3b 00 02 32 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 32 2d 32 3b 32 2d 31 2d 39 3b 00 02 33 | ;..2.....2;1-2-2;2-2-2;2-1-9;..3 |
78fe0 | 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 32 2d 32 3b 32 2d 31 2d 39 3b 00 02 34 00 15 00 00 | .....2;1-2-2;2-2-2;2-1-9;..4.... |
79000 | 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 39 3b 32 2d 32 2d 32 3b 00 02 35 00 0f 00 00 00 39 3b 31 | .2;1-2-2;1-1-9;2-2-2;..5.....9;1 |
79020 | 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 02 36 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 32 2d 32 | -1-2;2-2-2;..6.....2;1-2-2;2-2-2 |
79040 | 3b 32 2d 31 2d 39 3b 00 02 37 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 32 2d 32 3b 32 2d 31 | ;2-1-9;..7.....2;1-2-2;2-2-2;2-1 |
79060 | 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 11 00 00 00 4f 3d 43 31 43 3d 43 43 28 3d 4f 29 43 3d | -9;....smiles.....O=C1C=CC(=O)C= |
79080 | 43 31 00 02 69 6e 63 68 69 00 29 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 34 4f 32 2f 63 37 | C1..inchi.)...InChI=1S/C6H4O2/c7 |
790a0 | 2d 35 2d 31 2d 32 2d 36 28 38 29 34 2d 33 2d 35 2f 68 31 2d 34 48 00 09 75 70 64 61 74 65 64 5f | -5-1-2-6(8)4-3-5/h1-4H..updated_ |
790c0 | 61 74 00 ba d4 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 b9 d4 65 46 50 01 00 00 10 | at...eFP....created_at...eFP.... |
790e0 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 a2 01 | default_fingerprint_size........ |
79100 | 00 00 07 5f 69 64 00 56 16 1e 2a 2b 72 ed 2b 40 00 03 71 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V..*+r.+@..q.warnings.... |
79120 | 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 de 00 00 00 04 4d 50 32 44 00 d3 00 00 00 02 30 | ...fingerprints......MP2D......0 |
79140 | 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 32 3b 31 2d 31 | .....9;1-1-2;2-1-3;..1.....2;1-1 |
79160 | 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 00 02 32 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 | -3;1-1-9;2-2-3;..2.....3;1-1-2;1 |
79180 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 | -2-3;2-2-3;2-1-9;..3.....3;1-2-3 |
791a0 | 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | ;2-1-2;2-2-3;..4.....3;1-2-3;2-2 |
791c0 | 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 0f 00 00 | -3;..5.....3;1-2-3;2-2-3;..6.... |
791e0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | .3;1-2-3;2-2-3;..7.....3;1-2-3;2 |
79200 | 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 0c 00 00 00 4f 3d 43 63 31 63 | -1-2;2-2-3;....smiles.....O=Cc1c |
79220 | 63 63 63 63 31 00 02 69 6e 63 68 69 00 28 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 36 4f 2f | cccc1..inchi.(...InChI=1S/C7H6O/ |
79240 | 63 38 2d 36 2d 37 2d 34 2d 32 2d 31 2d 33 2d 35 2d 37 2f 68 31 2d 36 48 00 09 75 70 64 61 74 65 | c8-6-7-4-2-1-3-5-7/h1-6H..update |
79260 | 64 5f 61 74 00 d2 d4 65 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d1 d4 65 46 50 01 00 | d_at...eFP....created_at...eFP.. |
79280 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 | ..default_fingerprint_size...... |
792a0 | 36 01 00 00 07 5f 69 64 00 56 16 1e 2a 2b 72 ed 2b 40 00 03 72 04 77 61 72 6e 69 6e 67 73 00 05 | 6...._id.V..*+r.+@..r.warnings.. |
792c0 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 7e 00 00 00 04 4d 50 32 44 00 73 00 00 00 | .....fingerprints.~....MP2D.s... |
792e0 | 02 30 00 11 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 34 3b 00 02 31 00 11 00 00 00 31 | .0.....15;1-1-1;2-2-14;..1.....1 |
79300 | 3b 31 2d 32 2d 31 34 3b 31 2d 31 2d 31 35 3b 00 02 32 00 18 00 00 00 31 34 3b 31 2d 31 2d 31 3b | ;1-2-14;1-1-15;..2.....14;1-1-1; |
79320 | 32 2d 31 2d 31 34 3b 32 2d 31 2d 31 35 3b 00 02 33 00 18 00 00 00 31 34 3b 31 2d 31 2d 31 3b 32 | 2-1-14;2-1-15;..3.....14;1-1-1;2 |
79340 | 2d 31 2d 31 34 3b 32 2d 31 2d 31 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 0a 00 00 00 43 6c 43 28 | -1-14;2-1-15;....smiles.....ClC( |
79360 | 42 72 29 42 72 00 02 69 6e 63 68 69 00 1e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 48 42 72 32 43 | Br)Br..inchi.....InChI=1S/CHBr2C |
79380 | 6c 2f 63 32 2d 31 28 33 29 34 2f 68 31 48 00 09 75 70 64 61 74 65 64 5f 61 74 00 ee d4 65 46 50 | l/c2-1(3)4/h1H..updated_at...eFP |
793a0 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ec d4 65 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at...eFP....default_ |
793c0 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 00 da 05 00 00 07 5f 69 64 00 56 | fingerprint_size..........._id.V |
793e0 | 16 24 37 2b 72 ed 30 fb 00 00 01 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | .$7+r.0.....warnings.......finge |
79400 | 72 70 72 69 6e 74 73 00 50 04 00 00 04 4d 50 32 44 00 45 04 00 00 02 30 00 0f 00 00 00 31 3b 31 | rprints.P....MP2D.E....0.....1;1 |
79420 | 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 | -1-8;2-1-3;..1.....8;1-1-1;1-1-3 |
79440 | 3b 32 2d 32 2d 33 3b 00 02 32 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 | ;2-2-3;..2."...3;1-2-3;1-1-8;2-1 |
79460 | 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b | -1;2-2-3;2-1-19;..3.....3;1-2-3; |
79480 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 00 02 34 00 29 00 00 00 33 3b 31 2d 32 | 2-2-3;2-1-8;2-1-10;..4.)...3;1-2 |
794a0 | 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d | -3;1-1-10;2-1-1;2-2-3;2-2-9;2-1- |
794c0 | 33 32 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 32;..5.....3;1-1-1;1-2-3;2-2-3;2 |
794e0 | 2d 31 2d 31 30 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | -1-10;..6.....3;1-2-3;2-1-1;2-2- |
79500 | 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b | 3;2-1-19;..7."...3;1-2-3;1-1-19; |
79520 | 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 38 00 1c 00 00 00 31 39 3b 31 2d 31 | 2-2-3;2-1-6;2-1-8;..8.....19;1-1 |
79540 | 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 39 00 1c 00 00 00 36 3b 31 | -3;1-1-6;2-1-2;2-2-3;..9.....6;1 |
79560 | 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 30 00 2e 00 00 | -1-2;1-1-19;2-1-2;2-2-3;..10.... |
79580 | 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 | .2;1-1-2;1-1-3;1-1-6;2-1-2;2-2-3 |
795a0 | 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 21 00 00 00 32 3b 31 2d 32 2d 32 3b 31 | ;2-1-9;2-1-19;..11.!...2;1-2-2;1 |
795c0 | 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 32 00 0f 00 00 00 | -1-9;2-1-2;2-1-3;2-1-6;..12..... |
795e0 | 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 02 31 33 00 1b 00 00 00 32 3b 31 2d 32 2d 32 3b 32 | 9;1-1-2;2-2-2;..13.....2;1-2-2;2 |
79600 | 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 34 00 1b 00 00 00 32 3b 31 2d 31 2d | -1-2;2-1-3;2-1-9;..14.....2;1-1- |
79620 | 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 35 00 1b 00 00 00 33 3b 31 | 2;1-1-3;2-1-2;2-2-3;..15.....3;1 |
79640 | 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 36 00 21 00 00 00 | -1-2;1-2-3;2-2-2;2-2-3;..16.!... |
79660 | 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b | 3;1-1-2;1-2-3;2-2-2;2-2-3;2-1-6; |
79680 | 00 02 31 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 | ..17.....3;1-2-3;2-1-2;2-2-3;..1 |
796a0 | 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 39 00 | 8.....3;1-2-3;2-2-3;2-1-10;..19. |
796c0 | 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 32 | #...3;1-2-3;1-1-10;2-2-3;2-2-9;2 |
796e0 | 2d 31 2d 33 32 3b 00 02 32 30 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 | -1-32;..20.....3;1-2-3;2-1-2;2-2 |
79700 | 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 32 31 00 1d 00 00 00 31 30 3b 31 2d 31 2d 33 3b 31 2d 32 2d | -3;2-1-10;..21.....10;1-1-3;1-2- |
79720 | 39 3b 31 2d 31 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 32 32 00 1d 00 00 00 39 3b 31 2d 31 2d 31 30 | 9;1-1-32;2-2-3;..22.....9;1-1-10 |
79740 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 33 32 3b 00 02 32 33 00 1d 00 00 00 39 3b 31 | ;2-1-3;2-1-9;2-1-32;..23.....9;1 |
79760 | 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 33 32 3b 00 02 32 34 00 17 00 | -1-10;2-1-3;2-1-9;2-1-32;..24... |
79780 | 00 00 33 32 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 02 32 35 00 0f 00 00 | ..32;1-1-10;2-1-3;2-2-9;..25.... |
797a0 | 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 36 00 1d 00 00 00 31 30 3b 31 2d 31 2d 33 | .1;1-1-3;2-2-3;..26.....10;1-1-3 |
797c0 | 3b 31 2d 32 2d 39 3b 31 2d 31 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 32 37 00 1d 00 00 00 39 3b 31 | ;1-2-9;1-1-32;2-2-3;..27.....9;1 |
797e0 | 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 33 32 3b 00 02 32 38 00 1d 00 | -1-10;2-1-3;2-1-9;2-1-32;..28... |
79800 | 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 33 32 3b 00 02 | ..9;1-1-10;2-1-3;2-1-9;2-1-32;.. |
79820 | 32 39 00 17 00 00 00 33 32 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 02 33 | 29.....32;1-1-10;2-1-3;2-2-9;..3 |
79840 | 30 00 04 00 00 00 32 31 3b 00 02 33 31 00 04 00 00 00 32 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 | 0.....21;..31.....21;....smiles. |
79860 | 4e 00 00 00 43 4f 63 31 63 63 28 63 28 63 63 31 4e 4e 3d 43 31 43 28 3d 4f 29 43 3d 43 63 32 63 | N...COc1cc(c(cc1NN=C1C(=O)C=Cc2c |
79880 | 31 63 63 63 28 63 32 29 53 28 3d 4f 29 28 3d 4f 29 5b 4f 2d 5d 29 43 29 53 28 3d 4f 29 28 3d 4f | 1ccc(c2)S(=O)(=O)[O-])C)S(=O)(=O |
798a0 | 29 5b 4f 2d 5d 2e 5b 4e 61 2b 5d 2e 5b 4e 61 2b 5d 00 09 75 70 64 61 74 65 64 5f 61 74 00 b2 87 | )[O-].[Na+].[Na+]..updated_at... |
798c0 | 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 31 78 7d 46 50 01 00 00 10 64 65 66 61 75 | }FP....created_at.1x}FP....defau |
798e0 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 ac | lt_fingerprint_size......inchi.. |
79900 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 38 48 31 36 4e 32 4f 38 53 32 2e 32 4e 61 2f 63 31 2d | ...InChI=1S/C18H16N2O8S2.2Na/c1- |
79920 | 31 30 2d 37 2d 31 34 28 31 36 28 32 38 2d 32 29 39 2d 31 37 28 31 30 29 33 30 28 32 35 2c 32 36 | 10-7-14(16(28-2)9-17(10)30(25,26 |
79940 | 29 32 37 29 31 39 2d 32 30 2d 31 38 2d 31 33 2d 35 2d 34 2d 31 32 28 32 39 28 32 32 2c 32 33 29 | )27)19-20-18-13-5-4-12(29(22,23) |
79960 | 32 34 29 38 2d 31 31 28 31 33 29 33 2d 36 2d 31 35 28 31 38 29 32 31 3b 3b 2f 68 33 2d 39 2c 31 | 24)8-11(13)3-6-15(18)21;;/h3-9,1 |
79980 | 39 48 2c 31 2d 32 48 33 2c 28 48 2c 32 32 2c 32 33 2c 32 34 29 28 48 2c 32 35 2c 32 36 2c 32 37 | 9H,1-2H3,(H,22,23,24)(H,25,26,27 |
799a0 | 29 3b 3b 2f 71 3b 32 2a 2b 31 2f 70 2d 32 00 00 9a 02 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed | );;/q;2*+1/p-2......._id.V.$7+r. |
799c0 | 30 fb 00 00 02 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | 0.....warnings.......fingerprint |
799e0 | 73 00 b6 01 00 00 04 4d 50 32 44 00 ab 01 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 | s......MP2D......0.....8;1-1-1;2 |
79a00 | 2d 31 2d 31 3b 00 02 31 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 | -1-1;..1.....1;1-1-1;1-1-8;2-1-1 |
79a20 | 3b 32 2d 31 2d 38 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 | ;2-1-8;..2.....1;1-2-1;1-1-8;2-1 |
79a40 | 2d 32 3b 32 2d 32 2d 38 3b 00 02 33 00 2d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 | -2;2-2-8;..3.-...1;1-1-1;1-1-2;1 |
79a60 | 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 34 | -1-8;2-1-1;2-2-2;2-1-8;2-1-9;..4 |
79a80 | 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 | .!...8;1-1-1;1-1-2;2-1-1;2-2-2;2 |
79aa0 | 2d 31 2d 39 3b 00 02 35 00 27 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 | -1-9;..5.'...2;1-1-2;1-1-8;1-1-9 |
79ac0 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 36 00 15 00 00 00 39 3b 31 2d 31 | ;2-1-1;2-1-2;2-1-9;..6.....9;1-1 |
79ae0 | 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 37 00 21 00 00 00 32 3b 31 2d 32 2d 32 3b 31 | -2;2-1-2;2-1-8;..7.!...2;1-2-2;1 |
79b00 | 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 38 00 2d 00 00 00 32 | -1-9;2-1-1;2-1-8;2-2-9;..8.-...2 |
79b20 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 | ;1-1-1;1-1-2;1-1-9;2-1-1;2-1-2;2 |
79b40 | 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 39 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 | -1-8;2-1-9;..9.....9;1-1-2;2-1-1 |
79b60 | 3b 32 2d 31 2d 32 3b 00 02 31 30 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 02 | ;2-1-2;..10.....9;1-1-2;2-2-2;.. |
79b80 | 31 31 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 | 11.....8;1-1-1;2-2-1;....smiles. |
79ba0 | 17 00 00 00 4f 43 43 28 43 31 4f 43 28 3d 4f 29 43 28 3d 43 31 4f 29 4f 29 4f 00 09 75 70 64 61 | ....OCC(C1OC(=O)C(=C1O)O)O..upda |
79bc0 | 74 65 64 5f 61 74 00 de 87 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 38 78 7d 46 50 | ted_at...}FP....created_at.8x}FP |
79be0 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
79c00 | 00 02 69 6e 63 68 69 00 3d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 38 4f 36 2f 63 37 2d 31 | ..inchi.=...InChI=1S/C6H8O6/c7-1 |
79c20 | 2d 32 28 38 29 35 2d 33 28 39 29 34 28 31 30 29 36 28 31 31 29 31 32 2d 35 2f 68 32 2c 35 2c 37 | -2(8)5-3(9)4(10)6(11)12-5/h2,5,7 |
79c40 | 2d 31 30 48 2c 31 48 32 00 00 23 05 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 03 04 | -10H,1H2..#...._id.V.$7+r.0..... |
79c60 | 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c3 03 00 00 | warnings.......fingerprints..... |
79c80 | 04 4d 50 32 44 00 b8 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 | .MP2D......0.....1;1-1-8;2-1-2;. |
79ca0 | 02 31 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 | .1.....8;1-1-1;1-1-2;2-1-2;2-1-9 |
79cc0 | 3b 00 02 32 00 21 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 | ;..2.!...2;1-1-2;1-1-8;1-1-9;2-2 |
79ce0 | 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 | -1;2-1-2;..3.....9;1-1-2;2-1-2;2 |
79d00 | 2d 31 2d 38 3b 00 02 34 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 31 2d 32 | -1-8;..4.!...2;1-1-1;1-2-2;2-1-2 |
79d20 | 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 | ;2-1-8;2-1-9;..5.....2;1-2-2;2-1 |
79d40 | 2d 31 3b 32 2d 32 2d 32 3b 00 02 36 00 0f 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 32 2d 32 3b 00 | -1;2-2-2;..6.....2;1-2-2;2-2-2;. |
79d60 | 02 37 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 38 00 15 | .7.....2;1-2-2;2-1-1;2-2-2;..8.. |
79d80 | 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 32 2d 32 3b 00 02 39 00 15 00 00 00 32 | ...2;1-1-1;1-2-2;2-2-2;..9.....2 |
79da0 | 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 30 00 0f 00 00 00 32 3b 31 2d | ;1-2-2;2-1-1;2-2-2;..10.....2;1- |
79dc0 | 32 2d 32 3b 32 2d 32 2d 32 3b 00 02 31 31 00 0f 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 32 2d 32 | 2-2;2-2-2;..11.....2;1-2-2;2-2-2 |
79de0 | 3b 00 02 31 32 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 | ;..12.....2;1-2-2;2-1-1;2-2-2;.. |
79e00 | 31 33 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 32 2d 32 3b 00 02 31 34 00 | 13.....2;1-1-1;1-2-2;2-2-2;..14. |
79e20 | 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 35 00 0f 00 00 | ....2;1-2-2;2-1-1;2-2-2;..15.... |
79e40 | 00 32 3b 31 2d 32 2d 32 3b 32 2d 32 2d 32 3b 00 02 31 36 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b | .2;1-2-2;2-2-2;..16.....2;1-2-2; |
79e60 | 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 37 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 | 2-1-1;2-2-2;..17.....2;1-1-1;1-2 |
79e80 | 2d 32 3b 32 2d 32 2d 32 3b 00 02 31 38 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b | -2;2-2-2;..18.....2;1-2-2;2-1-1; |
79ea0 | 32 2d 32 2d 32 3b 00 02 31 39 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 | 2-2-2;..19.....2;1-2-2;2-1-1;2-2 |
79ec0 | 2d 32 3b 00 02 32 30 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 35 2d 31 3b | -2;..20.....2;1-1-1;1-2-2;2-5-1; |
79ee0 | 32 2d 31 2d 32 3b 00 02 32 31 00 1b 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 | 2-1-2;..21.....2;1-2-1;1-1-2;2-2 |
79f00 | 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 32 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b | -1;2-1-2;..22.....1;1-1-2;2-1-1; |
79f20 | 32 2d 31 2d 32 3b 00 02 32 33 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 | 2-1-2;..23.....1;1-1-1;1-1-2;2-2 |
79f40 | 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 34 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b | -1;2-1-2;..24.....1;1-2-1;2-1-1; |
79f60 | 32 2d 31 2d 32 3b 00 02 32 35 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 | 2-1-2;..25.....1;1-2-1;2-3-1;2-1 |
79f80 | 2d 32 3b 00 02 32 36 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b | -2;..26.....1;1-3-1;1-1-2;2-1-1; |
79fa0 | 32 2d 32 2d 32 3b 00 02 32 37 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 | 2-2-2;..27.....1;1-1-1;2-2-1;2-1 |
79fc0 | 2d 32 3b 00 02 32 38 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b | -2;..28.....1;1-1-1;2-2-1;2-1-2; |
79fe0 | 00 02 32 39 00 0f 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 02 33 30 00 0f 00 00 00 | ..29.....1;1-1-2;2-2-2;..30..... |
7a000 | 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 02 33 31 00 0f 00 00 00 31 3b 31 2d 31 2d 32 3b 32 | 1;1-1-2;2-2-2;..31.....1;1-1-2;2 |
7a020 | 2d 32 2d 32 3b 00 02 33 32 00 0f 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 00 00 02 | -2-2;..32.....1;1-1-2;2-2-2;.... |
7a040 | 73 6d 69 6c 65 73 00 3c 00 00 00 43 4f 43 28 3d 4f 29 43 28 3d 43 43 3d 43 43 28 3d 43 43 3d 43 | smiles.<...COC(=O)C(=CC=CC(=CC=C |
7a060 | 43 3d 43 28 43 3d 43 43 3d 43 28 43 3d 43 43 31 3d 43 28 43 29 43 43 43 43 31 28 43 29 43 29 43 | C=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C |
7a080 | 29 43 29 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 b7 87 7d 46 50 01 00 00 09 63 72 65 61 | )C)C)C..updated_at...}FP....crea |
7a0a0 | 74 65 64 5f 61 74 00 3f 78 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at.?x}FP....default_fingerpr |
7a0c0 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 94 00 00 00 49 6e 43 68 49 3d 31 53 | int_size......inchi.....InChI=1S |
7a0e0 | 2f 43 33 31 48 34 32 4f 32 2f 63 31 2d 32 34 28 31 34 2d 39 2d 31 30 2d 31 35 2d 32 35 28 32 29 | /C31H42O2/c1-24(14-9-10-15-25(2) |
7a100 | 31 38 2d 31 32 2d 31 39 2d 32 38 28 35 29 33 30 28 33 32 29 33 33 2d 38 29 31 36 2d 31 31 2d 31 | 18-12-19-28(5)30(32)33-8)16-11-1 |
7a120 | 37 2d 32 36 28 33 29 32 31 2d 32 32 2d 32 39 2d 32 37 28 34 29 32 30 2d 31 33 2d 32 33 2d 33 31 | 7-26(3)21-22-29-27(4)20-13-23-31 |
7a140 | 28 32 39 2c 36 29 37 2f 68 39 2d 31 32 2c 31 34 2d 31 39 2c 32 31 2d 32 32 48 2c 31 33 2c 32 30 | (29,6)7/h9-12,14-19,21-22H,13,20 |
7a160 | 2c 32 33 48 32 2c 31 2d 38 48 33 00 00 ce 01 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 | ,23H2,1-8H3......._id.V.$7+r.0.. |
7a180 | 00 04 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 00 | ...warnings.......fingerprints.. |
7a1a0 | 01 00 00 04 4d 50 32 44 00 f5 00 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d | ....MP2D......0.....1;1-1-1;2-1- |
7a1c0 | 31 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d | 1;2-1-3;..1.....1;1-2-1;1-1-3;2- |
7a1e0 | 32 2d 33 3b 00 02 32 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b | 2-3;..2.....3;1-1-1;1-2-3;2-2-1; |
7a200 | 32 2d 32 2d 33 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | 2-2-3;..3.....3;1-2-3;2-1-1;2-2- |
7a220 | 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 0f 00 00 00 | 3;..4.....3;1-2-3;2-2-3;..5..... |
7a240 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 3;1-2-3;2-2-3;..6.....3;1-2-3;2- |
7a260 | 32 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | 2-3;..7.....3;1-2-3;2-1-1;2-2-3; |
7a280 | 00 02 38 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 00 00 02 | ..8.....1;1-1-1;2-1-1;2-1-3;.... |
7a2a0 | 73 6d 69 6c 65 73 00 0e 00 00 00 43 43 28 63 31 63 63 63 63 63 31 29 43 00 09 75 70 64 61 74 65 | smiles.....CC(c1ccccc1)C..update |
7a2c0 | 64 5f 61 74 00 33 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 45 78 7d 46 50 01 00 | d_at.3.}FP....created_at.Ex}FP.. |
7a2e0 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 | ..default_fingerprint_size...... |
7a300 | 69 6e 63 68 69 00 30 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 32 2f 63 31 2d 38 28 32 29 | inchi.0...InChI=1S/C9H12/c1-8(2) |
7a320 | 39 2d 36 2d 34 2d 33 2d 35 2d 37 2d 39 2f 68 33 2d 38 48 2c 31 2d 32 48 33 00 00 95 03 00 00 07 | 9-6-4-3-5-7-9/h3-8H,1-2H3....... |
7a340 | 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 05 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V.$7+r.0.....warnings....... |
7a360 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 86 02 00 00 04 4d 50 32 44 00 7b 02 00 00 02 30 00 0f 00 | fingerprints......MP2D.{....0... |
7a380 | 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b | ..1;1-1-1;2-1-1;..1.....1;1-2-1; |
7a3a0 | 32 2d 31 2d 31 3b 00 02 32 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d | 2-1-1;..2.....1;1-2-1;2-1-1;2-1- |
7a3c0 | 38 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d | 8;..3.....1;1-1-1;1-1-8;2-1-1;2- |
7a3e0 | 31 2d 32 3b 00 02 34 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b | 1-2;..4.!...8;1-1-1;1-1-2;2-1-1; |
7a400 | 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 35 00 21 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d | 2-1-3;2-1-9;..5.!...2;1-1-3;1-1- |
7a420 | 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 39 3b 31 2d | 8;1-1-9;2-1-1;2-2-3;..6.....9;1- |
7a440 | 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b | 1-2;2-1-3;2-1-8;..7.'...3;1-1-2; |
7a460 | 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 | 1-2-3;2-1-2;2-2-3;2-1-8;2-1-9;.. |
7a480 | 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 | 8.....3;1-2-3;2-1-2;2-2-3;..9... |
7a4a0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | ..3;1-2-3;2-2-3;..10.....3;1-2-3 |
7a4c0 | 3b 32 2d 32 2d 33 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d | ;2-2-3;..11.....3;1-2-3;2-1-2;2- |
7a4e0 | 32 2d 33 3b 00 02 31 32 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 | 2-3;..12.'...3;1-1-2;1-2-3;2-1-2 |
7a500 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 33 00 21 00 00 00 32 3b 31 2d | ;2-2-3;2-1-8;2-1-9;..13.!...2;1- |
7a520 | 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 34 | 1-3;1-1-8;1-1-9;2-1-1;2-2-3;..14 |
7a540 | 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 35 00 21 00 | .....9;1-1-2;2-1-3;2-1-8;..15.!. |
7a560 | 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d | ..8;1-1-1;1-1-2;2-1-1;2-1-3;2-1- |
7a580 | 39 3b 00 02 31 36 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 | 9;..16.....1;1-1-1;1-1-8;2-1-1;2 |
7a5a0 | 2d 31 2d 32 3b 00 02 31 37 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d | -1-2;..17.....1;1-2-1;2-1-1;2-1- |
7a5c0 | 38 3b 00 02 31 38 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 39 00 0f 00 | 8;..18.....1;1-2-1;2-1-1;..19... |
7a5e0 | 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 1d 00 00 00 43 | ..1;1-1-1;2-1-1;....smiles.....C |
7a600 | 43 43 43 4f 43 28 3d 4f 29 63 31 63 63 63 63 63 31 43 28 3d 4f 29 4f 43 43 43 43 00 09 75 70 64 | CCCOC(=O)c1ccccc1C(=O)OCCCC..upd |
7a620 | 61 74 65 64 5f 61 74 00 bb 87 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 4b 78 7d 46 | ated_at...}FP....created_at.Kx}F |
7a640 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
7a660 | 00 00 02 69 6e 63 68 69 00 62 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 36 48 32 32 4f 34 2f 63 | ...inchi.b...InChI=1S/C16H22O4/c |
7a680 | 31 2d 33 2d 35 2d 31 31 2d 31 39 2d 31 35 28 31 37 29 31 33 2d 39 2d 37 2d 38 2d 31 30 2d 31 34 | 1-3-5-11-19-15(17)13-9-7-8-10-14 |
7a6a0 | 28 31 33 29 31 36 28 31 38 29 32 30 2d 31 32 2d 36 2d 34 2d 32 2f 68 37 2d 31 30 48 2c 33 2d 36 | (13)16(18)20-12-6-4-2/h7-10H,3-6 |
7a6c0 | 2c 31 31 2d 31 32 48 32 2c 31 2d 32 48 33 00 00 09 03 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed | ,11-12H2,1-2H3......._id.V.$7+r. |
7a6e0 | 30 fb 00 00 06 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | 0.....warnings.......fingerprint |
7a700 | 73 00 12 02 00 00 04 4d 50 32 44 00 07 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 | s......MP2D......0.....1;1-1-1;2 |
7a720 | 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 | -1-8;..1.....1;1-1-1;1-1-8;2-1-2 |
7a740 | 3b 00 02 32 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 | ;..2.!...8;1-1-1;1-1-2;2-1-1;2-1 |
7a760 | 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 21 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 | -3;2-1-9;..3.!...2;1-1-3;1-1-8;1 |
7a780 | 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 | -1-9;2-1-1;2-2-3;..4.....9;1-1-2 |
7a7a0 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 | ;2-1-3;2-1-8;..5.'...3;1-1-2;1-2 |
7a7c0 | 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 36 00 15 | -3;2-1-2;2-2-3;2-1-8;2-1-9;..6.. |
7a7e0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 0f 00 00 00 33 | ...3;1-2-3;2-1-2;2-2-3;..7.....3 |
7a800 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | ;1-2-3;2-2-3;..8.....3;1-2-3;2-2 |
7a820 | 2d 33 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 | -3;..9.....3;1-2-3;2-1-2;2-2-3;. |
7a840 | 02 31 30 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d | .10.'...3;1-1-2;1-2-3;2-1-2;2-2- |
7a860 | 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 31 00 21 00 00 00 32 3b 31 2d 31 2d 33 3b 31 | 3;2-1-8;2-1-9;..11.!...2;1-1-3;1 |
7a880 | 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 32 00 15 00 00 00 | -1-8;1-1-9;2-1-1;2-2-3;..12..... |
7a8a0 | 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 33 00 21 00 00 00 38 3b 31 | 9;1-1-2;2-1-3;2-1-8;..13.!...8;1 |
7a8c0 | 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 | -1-1;1-1-2;2-1-1;2-1-3;2-1-9;..1 |
7a8e0 | 34 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 31 35 00 0f | 4.....1;1-1-1;1-1-8;2-1-2;..15.. |
7a900 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 | ...1;1-1-1;2-1-8;....smiles..... |
7a920 | 43 43 4f 43 28 3d 4f 29 63 31 63 63 63 63 63 31 43 28 3d 4f 29 4f 43 43 00 09 75 70 64 61 74 65 | CCOC(=O)c1ccccc1C(=O)OCC..update |
7a940 | 64 5f 61 74 00 bd 87 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 51 78 7d 46 50 01 00 | d_at...}FP....created_at.Qx}FP.. |
7a960 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 | ..default_fingerprint_size...... |
7a980 | 69 6e 63 68 69 00 4e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 34 4f 34 2f 63 31 2d 33 | inchi.N...InChI=1S/C12H14O4/c1-3 |
7a9a0 | 2d 31 35 2d 31 31 28 31 33 29 39 2d 37 2d 35 2d 36 2d 38 2d 31 30 28 39 29 31 32 28 31 34 29 31 | -15-11(13)9-7-5-6-8-10(9)12(14)1 |
7a9c0 | 36 2d 34 2d 32 2f 68 35 2d 38 48 2c 33 2d 34 48 32 2c 31 2d 32 48 33 00 00 d7 01 00 00 07 5f 69 | 6-4-2/h5-8H,3-4H2,1-2H3......._i |
7a9e0 | 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 07 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V.$7+r.0.....warnings.......fi |
7aa00 | 6e 67 65 72 70 72 69 6e 74 73 00 06 01 00 00 04 4d 50 32 44 00 fb 00 00 00 02 30 00 0f 00 00 00 | ngerprints......MP2D......0..... |
7aa20 | 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d | 1;1-1-3;2-2-3;..1.....3;1-1-1;1- |
7aa40 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | 2-3;2-2-3;2-1-8;..2.....3;1-2-3; |
7aa60 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-1-1;2-2-3;..3.....3;1-2-3;2-2- |
7aa80 | 33 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 | 3;..4.....3;1-2-3;2-1-1;2-2-3;.. |
7aaa0 | 35 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b | 5.....3;1-1-1;1-2-3;2-2-3;2-1-8; |
7aac0 | 00 02 36 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d | ..6.....3;1-2-3;1-1-8;2-2-1;2-2- |
7aae0 | 33 3b 00 02 37 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 00 | 3;..7.....8;1-1-3;2-2-3;..8..... |
7ab00 | 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 0e 00 00 00 43 63 31 | 1;1-1-3;2-2-3;....smiles.....Cc1 |
7ab20 | 63 63 63 63 28 63 31 4f 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 bf 87 7d 46 50 01 00 00 09 | cccc(c1O)C..updated_at...}FP.... |
7ab40 | 63 72 65 61 74 65 64 5f 61 74 00 59 78 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at.Yx}FP....default_fing |
7ab60 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 33 00 00 00 49 6e 43 68 | erprint_size......inchi.3...InCh |
7ab80 | 49 3d 31 53 2f 43 38 48 31 30 4f 2f 63 31 2d 36 2d 34 2d 33 2d 35 2d 37 28 32 29 38 28 36 29 39 | I=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9 |
7aba0 | 2f 68 33 2d 35 2c 39 48 2c 31 2d 32 48 33 00 00 df 01 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed | /h3-5,9H,1-2H3......._id.V.$7+r. |
7abc0 | 30 fb 00 00 08 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | 0.....warnings.......fingerprint |
7abe0 | 73 00 0c 01 00 00 04 4d 50 32 44 00 01 01 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 | s......MP2D......0.....8;1-1-3;2 |
7ac00 | 2d 32 2d 33 3b 00 02 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 | -2-3;..1.....3;1-2-3;1-1-8;2-2-3 |
7ac20 | 3b 00 02 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 | ;..2.....3;1-2-3;2-2-3;2-1-8;..3 |
7ac40 | 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 1b 00 00 | .....3;1-2-3;2-1-1;2-2-3;..4.... |
7ac60 | 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 1b | .3;1-1-1;1-2-3;2-1-1;2-2-3;..5.. |
7ac80 | 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 | ...3;1-1-1;1-2-3;2-1-1;2-2-3;..6 |
7aca0 | 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 | .....3;1-2-3;2-1-1;2-2-3;2-1-8;. |
7acc0 | 02 37 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 00 31 3b 31 | .7.....1;1-1-3;2-2-3;..8.....1;1 |
7ace0 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 10 00 00 00 4f 63 31 63 63 63 | -1-3;2-2-3;....smiles.....Oc1ccc |
7ad00 | 28 63 28 63 31 29 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 c1 87 7d 46 50 01 00 00 09 63 | (c(c1)C)C..updated_at...}FP....c |
7ad20 | 72 65 61 74 65 64 5f 61 74 00 5f 78 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at._x}FP....default_finge |
7ad40 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 33 00 00 00 49 6e 43 68 49 | rprint_size......inchi.3...InChI |
7ad60 | 3d 31 53 2f 43 38 48 31 30 4f 2f 63 31 2d 36 2d 33 2d 34 2d 38 28 39 29 35 2d 37 28 36 29 32 2f | =1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/ |
7ad80 | 68 33 2d 35 2c 39 48 2c 31 2d 32 48 33 00 00 2e 01 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 | h3-5,9H,1-2H3......._id.V.$7+r.0 |
7ada0 | fb 00 00 09 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 | .....warnings.......fingerprints |
7adc0 | 00 74 00 00 00 04 4d 50 32 44 00 69 00 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d | .t....MP2D.i....0.....8;1-1-1;2- |
7ade0 | 31 2d 31 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 38 3b | 1-1;..1.....1;1-1-1;1-1-8;2-1-8; |
7ae00 | 00 02 32 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 38 3b 00 02 33 00 | ..2.....1;1-1-1;1-1-8;2-1-8;..3. |
7ae20 | 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 05 00 00 | ....8;1-1-1;2-1-1;....smiles.... |
7ae40 | 00 4f 43 43 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 4d 8b 7d 46 50 01 00 00 09 63 72 65 61 74 | .OCCO..updated_at.M.}FP....creat |
7ae60 | 65 64 5f 61 74 00 69 78 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at.ix}FP....default_fingerpri |
7ae80 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 25 00 00 00 49 6e 43 68 49 3d 31 53 2f | nt_size......inchi.%...InChI=1S/ |
7aea0 | 43 32 48 36 4f 32 2f 63 33 2d 31 2d 32 2d 34 2f 68 33 2d 34 48 2c 31 2d 32 48 32 00 00 b1 03 00 | C2H6O2/c3-1-2-4/h3-4H,1-2H2..... |
7aec0 | 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 0a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V.$7+r.0.....warnings..... |
7aee0 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a4 02 00 00 04 4d 50 32 44 00 99 02 00 00 02 30 00 | ..fingerprints......MP2D......0. |
7af00 | 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d | ....1;1-1-1;2-1-8;..1.....1;1-1- |
7af20 | 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 32 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d | 1;1-1-8;2-1-2;..2.....8;1-1-1;1- |
7af40 | 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b | 1-2;2-2-1;2-1-9;..3.!...2;1-1-1; |
7af60 | 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 00 15 00 00 00 | 1-1-8;1-1-9;2-1-1;2-1-8;..4..... |
7af80 | 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 21 00 00 00 31 3b 31 2d | 9;1-1-2;2-1-1;2-1-8;..5.!...1;1- |
7afa0 | 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 36 00 | 1-2;1-1-8;2-1-2;2-1-8;2-1-9;..6. |
7afc0 | 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d | !...8;1-1-1;1-1-2;2-1-2;2-1-3;2- |
7afe0 | 31 2d 39 3b 00 02 37 00 21 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b | 1-9;..7.!...2;1-1-3;1-1-8;1-1-9; |
7b000 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d | 2-1-1;2-2-3;..8.....9;1-1-2;2-1- |
7b020 | 33 3b 32 2d 31 2d 38 3b 00 02 39 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d | 3;2-1-8;..9.'...3;1-1-2;1-2-3;2- |
7b040 | 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 30 00 15 00 00 00 33 | 1-2;2-2-3;2-1-8;2-1-9;..10.....3 |
7b060 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d | ;1-2-3;2-1-2;2-2-3;..11.....3;1- |
7b080 | 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 2-3;2-2-3;..12.....3;1-2-3;2-2-3 |
7b0a0 | 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 | ;..13.....3;1-2-3;2-1-2;2-2-3;.. |
7b0c0 | 31 34 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 | 14.'...3;1-1-2;1-2-3;2-1-2;2-2-3 |
7b0e0 | 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 35 00 21 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d | ;2-1-8;2-1-9;..15.!...2;1-1-3;1- |
7b100 | 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 36 00 15 00 00 00 39 | 1-8;1-1-9;2-1-1;2-2-3;..16.....9 |
7b120 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 37 00 21 00 00 00 38 3b 31 2d | ;1-1-2;2-1-3;2-1-8;..17.!...8;1- |
7b140 | 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 38 | 1-1;1-1-2;2-1-1;2-1-3;2-1-9;..18 |
7b160 | 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 31 39 00 0f 00 | .....1;1-1-1;1-1-8;2-1-2;..19... |
7b180 | 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 20 00 00 00 43 | ..1;1-1-1;2-1-8;....smiles.....C |
7b1a0 | 43 4f 43 28 3d 4f 29 43 4f 43 28 3d 4f 29 63 31 63 63 63 63 63 31 43 28 3d 4f 29 4f 43 43 00 09 | COC(=O)COC(=O)c1ccccc1C(=O)OCC.. |
7b1c0 | 75 70 64 61 74 65 64 5f 61 74 00 c5 87 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 6f | updated_at...}FP....created_at.o |
7b1e0 | 78 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | x}FP....default_fingerprint_size |
7b200 | 00 00 00 00 00 02 69 6e 63 68 69 00 5d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 36 4f | ......inchi.]...InChI=1S/C14H16O |
7b220 | 36 2f 63 31 2d 33 2d 31 38 2d 31 32 28 31 35 29 39 2d 32 30 2d 31 34 28 31 37 29 31 31 2d 38 2d | 6/c1-3-18-12(15)9-20-14(17)11-8- |
7b240 | 36 2d 35 2d 37 2d 31 30 28 31 31 29 31 33 28 31 36 29 31 39 2d 34 2d 32 2f 68 35 2d 38 48 2c 33 | 6-5-7-10(11)13(16)19-4-2/h5-8H,3 |
7b260 | 2d 34 2c 39 48 32 2c 31 2d 32 48 33 00 00 dc 00 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb | -4,9H2,1-2H3......._id.V.$7+r.0. |
7b280 | 00 00 0b 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 | ....warnings.......fingerprints. |
7b2a0 | 30 00 00 00 04 4d 50 32 44 00 25 00 00 00 02 30 00 09 00 00 00 32 3b 31 2d 31 2d 39 3b 00 02 31 | 0....MP2D.%....0.....2;1-1-9;..1 |
7b2c0 | 00 09 00 00 00 39 3b 31 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 04 00 00 00 43 3d 4f 00 | .....9;1-1-2;....smiles.....C=O. |
7b2e0 | 09 75 70 64 61 74 65 64 5f 61 74 00 c7 87 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at...}FP....created_at. |
7b300 | 74 78 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | tx}FP....default_fingerprint_siz |
7b320 | 65 00 00 00 00 00 02 69 6e 63 68 69 00 18 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 48 32 4f 2f 63 | e......inchi.....InChI=1S/CH2O/c |
7b340 | 31 2d 32 2f 68 31 48 32 00 00 d2 01 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 0c 04 | 1-2/h1H2......._id.V.$7+r.0..... |
7b360 | 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 fc 00 00 00 | warnings.......fingerprints..... |
7b380 | 04 4d 50 32 44 00 f1 00 00 00 02 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b | .MP2D......0.....32;1-1-2;2-1-2; |
7b3a0 | 32 2d 31 2d 33 32 3b 00 02 31 00 16 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 32 3b 32 2d | 2-1-32;..1.....2;1-1-2;1-2-32;2- |
7b3c0 | 31 2d 32 3b 00 02 32 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 | 1-2;..2.....32;1-1-2;2-1-2;2-1-3 |
7b3e0 | 32 3b 00 02 33 00 16 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 32 3b 00 | 2;..3.....2;1-2-2;2-1-2;2-2-32;. |
7b400 | 02 34 00 16 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 32 3b 00 02 35 00 | .4.....2;1-2-2;2-1-2;2-2-32;..5. |
7b420 | 16 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d 32 3b 00 02 36 00 17 00 00 | ....2;1-1-2;1-2-32;2-1-2;..6.... |
7b440 | 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 32 3b 00 02 37 00 17 00 00 00 33 | .32;1-1-2;2-1-2;2-1-32;..7.....3 |
7b460 | 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 | 2;1-1-2;2-1-2;2-1-32;....smiles. |
7b480 | 10 00 00 00 4f 43 28 3d 4f 29 43 3d 43 43 28 3d 4f 29 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 | ....OC(=O)C=CC(=O)O..updated_at. |
7b4a0 | c9 87 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 79 78 7d 46 50 01 00 00 10 64 65 66 | ..}FP....created_at.yx}FP....def |
7b4c0 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
7b4e0 | 00 36 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 34 4f 34 2f 63 35 2d 33 28 36 29 31 2d 32 2d | .6...InChI=1S/C4H4O4/c5-3(6)1-2- |
7b500 | 34 28 37 29 38 2f 68 31 2d 32 48 2c 28 48 2c 35 2c 36 29 28 48 2c 37 2c 38 29 00 00 74 01 00 00 | 4(7)8/h1-2H,(H,5,6)(H,7,8)..t... |
7b520 | 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 0d 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V.$7+r.0.....warnings...... |
7b540 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b2 00 00 00 04 4d 50 32 44 00 a7 00 00 00 02 30 00 0f | .fingerprints......MP2D......0.. |
7b560 | 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 1b 00 00 00 31 3b 31 2d 31 2d 31 | ...8;1-1-1;2-1-1;..1.....1;1-1-1 |
7b580 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 00 15 00 00 00 31 3b 31 2d 32 | ;1-1-8;2-1-1;2-1-8;..2.....1;1-2 |
7b5a0 | 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 38 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | -1;1-1-8;2-2-8;..3.....1;1-1-1;1 |
7b5c0 | 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 00 0f 00 00 00 38 3b 31 2d 31 2d 31 | -1-8;2-1-1;2-1-8;..4.....8;1-1-1 |
7b5e0 | 3b 32 2d 31 2d 31 3b 00 02 35 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 | ;2-1-1;..5.....8;1-1-1;2-2-1;... |
7b600 | 02 73 6d 69 6c 65 73 00 09 00 00 00 4f 43 43 28 43 4f 29 4f 00 09 75 70 64 61 74 65 64 5f 61 74 | .smiles.....OCC(CO)O..updated_at |
7b620 | 00 cb 87 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 7e 78 7d 46 50 01 00 00 10 64 65 | ...}FP....created_at.~x}FP....de |
7b640 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 | fault_fingerprint_size......inch |
7b660 | 69 00 29 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 48 38 4f 33 2f 63 34 2d 31 2d 33 28 36 29 32 | i.)...InChI=1S/C3H8O3/c4-1-3(6)2 |
7b680 | 2d 35 2f 68 33 2d 36 48 2c 31 2d 32 48 32 00 00 31 02 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed | -5/h3-6H,1-2H2..1...._id.V.$7+r. |
7b6a0 | 30 fb 00 00 0e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | 0.....warnings.......fingerprint |
7b6c0 | 73 00 57 01 00 00 04 4d 50 32 44 00 4c 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 | s.W....MP2D.L....0.....1;1-1-8;2 |
7b6e0 | 2d 31 2d 32 3b 00 02 31 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 | -1-2;..1.....8;1-1-1;1-1-2;2-1-3 |
7b700 | 3b 32 2d 31 2d 39 3b 00 02 32 00 21 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 | ;2-1-9;..2.!...2;1-1-3;1-1-8;1-1 |
7b720 | 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 | -9;2-1-1;2-2-3;..3.....9;1-1-2;2 |
7b740 | 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 | -1-3;2-1-8;..4.!...3;1-1-2;1-2-3 |
7b760 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 | ;2-2-3;2-1-8;2-1-9;..5.....3;1-2 |
7b780 | 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | -3;2-1-2;2-2-3;..6.....3;1-2-3;2 |
7b7a0 | 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 | -2-3;2-1-8;..7.....3;1-2-3;1-1-8 |
7b7c0 | 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | ;2-2-3;..8.....3;1-2-3;2-2-3;2-1 |
7b7e0 | 2d 38 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 | -8;..9.....3;1-2-3;2-1-2;2-2-3;. |
7b800 | 02 31 30 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 | .10.....8;1-1-3;2-2-3;....smiles |
7b820 | 00 13 00 00 00 43 4f 43 28 3d 4f 29 63 31 63 63 63 28 63 63 31 29 4f 00 09 75 70 64 61 74 65 64 | .....COC(=O)c1ccc(cc1)O..updated |
7b840 | 5f 61 74 00 cd 87 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 84 78 7d 46 50 01 00 00 | _at...}FP....created_at..x}FP... |
7b860 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 | .default_fingerprint_size......i |
7b880 | 6e 63 68 69 00 37 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 38 4f 33 2f 63 31 2d 31 31 2d 38 | nchi.7...InChI=1S/C8H8O3/c1-11-8 |
7b8a0 | 28 31 30 29 36 2d 32 2d 34 2d 37 28 39 29 35 2d 33 2d 36 2f 68 32 2d 35 2c 39 48 2c 31 48 33 00 | (10)6-2-4-7(9)5-3-6/h2-5,9H,1H3. |
7b8c0 | 00 82 02 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 0f 04 77 61 72 6e 69 6e 67 73 00 | ......_id.V.$7+r.0.....warnings. |
7b8e0 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 97 01 00 00 04 4d 50 32 44 00 8c 01 00 | ......fingerprints......MP2D.... |
7b900 | 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b | ..0.....1;1-1-1;2-1-1;..1.....1; |
7b920 | 31 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 1-2-1;2-1-8;..2.....1;1-1-1;1-1- |
7b940 | 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d | 8;2-1-1;2-1-2;..3.!...8;1-1-1;1- |
7b960 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 34 00 21 00 00 00 32 3b | 1-2;2-1-1;2-1-3;2-1-9;..4.!...2; |
7b980 | 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 | 1-1-3;1-1-8;1-1-9;2-1-1;2-2-3;.. |
7b9a0 | 35 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 21 00 | 5.....9;1-1-2;2-1-3;2-1-8;..6.!. |
7b9c0 | 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d | ..3;1-1-2;1-2-3;2-2-3;2-1-8;2-1- |
7b9e0 | 39 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 | 9;..7.....3;1-2-3;2-1-2;2-2-3;.. |
7ba00 | 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 15 00 | 8.....3;1-2-3;2-2-3;2-1-8;..9... |
7ba20 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 00 02 31 30 00 15 00 00 00 33 | ..3;1-2-3;1-1-8;2-2-3;..10.....3 |
7ba40 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d | ;1-2-3;2-2-3;2-1-8;..11.....3;1- |
7ba60 | 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 32 00 0f 00 00 00 38 3b 31 2d 31 2d 33 | 2-3;2-1-2;2-2-3;..12.....8;1-1-3 |
7ba80 | 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 15 00 00 00 43 43 43 4f 43 28 3d 4f 29 63 | ;2-2-3;....smiles.....CCCOC(=O)c |
7baa0 | 31 63 63 63 28 63 63 31 29 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 cf 87 7d 46 50 01 00 00 09 | 1ccc(cc1)O..updated_at...}FP.... |
7bac0 | 63 72 65 61 74 65 64 5f 61 74 00 89 78 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at..x}FP....default_fing |
7bae0 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 46 00 00 00 49 6e 43 68 | erprint_size......inchi.F...InCh |
7bb00 | 49 3d 31 53 2f 43 31 30 48 31 32 4f 33 2f 63 31 2d 32 2d 37 2d 31 33 2d 31 30 28 31 32 29 38 2d | I=1S/C10H12O3/c1-2-7-13-10(12)8- |
7bb20 | 33 2d 35 2d 39 28 31 31 29 36 2d 34 2d 38 2f 68 33 2d 36 2c 31 31 48 2c 32 2c 37 48 32 2c 31 48 | 3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H |
7bb40 | 33 00 00 f7 03 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 10 04 77 61 72 6e 69 6e 67 | 3......._id.V.$7+r.0.....warning |
7bb60 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 af 02 00 00 04 4d 50 32 44 00 a4 | s.......fingerprints......MP2D.. |
7bb80 | 02 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 00 15 00 00 00 | ....0.....8;1-1-1;2-2-1;..1..... |
7bba0 | 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 00 02 32 00 15 00 00 00 31 3b 31 2d | 1;1-2-1;1-1-8;2-2-1;..2.....1;1- |
7bbc0 | 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b | 2-1;2-2-1;2-1-8;..3.....1;1-2-1; |
7bbe0 | 32 2d 34 2d 31 3b 00 02 34 00 0f 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 35 2d 31 3b 00 02 35 00 | 2-4-1;..4.....1;1-4-1;2-5-1;..5. |
7bc00 | 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 35 2d 31 3b 00 02 36 00 15 00 00 00 31 3b 31 2d 32 2d | ....1;1-3-1;2-5-1;..6.....1;1-2- |
7bc20 | 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d | 1;2-3-1;2-1-8;..7.....1;1-2-1;2- |
7bc40 | 33 2d 31 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 39 00 0f 00 | 3-1;..8.....1;1-2-1;2-3-1;..9... |
7bc60 | 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 35 2d 31 3b 00 02 31 30 00 0f 00 00 00 31 3b 31 2d 33 2d 31 | ..1;1-3-1;2-5-1;..10.....1;1-3-1 |
7bc80 | 3b 32 2d 36 2d 31 3b 00 02 31 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 | ;2-6-1;..11.....1;1-2-1;2-3-1;.. |
7bca0 | 31 32 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b 00 02 31 33 00 0f 00 00 00 31 3b | 12.....1;1-2-1;2-4-1;..13.....1; |
7bcc0 | 31 2d 34 2d 31 3b 32 2d 35 2d 31 3b 00 02 31 34 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 36 | 1-4-1;2-5-1;..14.....1;1-3-1;2-6 |
7bce0 | 2d 31 3b 00 02 31 35 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 36 00 0f | -1;..15.....1;1-2-1;2-3-1;..16.. |
7bd00 | 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 37 00 0f 00 00 00 31 3b 31 2d 33 2d | ...1;1-2-1;2-3-1;..17.....1;1-3- |
7bd20 | 31 3b 32 2d 36 2d 31 3b 00 02 31 38 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 33 2d 31 3b 00 | 1;2-6-1;..18.....1;1-3-1;2-3-1;. |
7bd40 | 02 31 39 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 30 | .19.....1;1-2-1;2-2-1;2-1-2;..20 |
7bd60 | 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 32 3b | .....1;1-1-1;1-1-2;2-1-1;2-2-32; |
7bd80 | 00 02 32 31 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d 31 3b 00 02 | ..21.....2;1-1-1;1-2-32;2-1-1;.. |
7bda0 | 32 32 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 32 | 22.....32;1-1-2;2-1-1;2-1-32;..2 |
7bdc0 | 33 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 32 34 | 3.....32;1-1-2;2-1-1;2-1-32;..24 |
7bde0 | 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 35 00 0f 00 00 00 31 3b 31 2d | .....1;1-1-1;2-2-1;..25.....1;1- |
7be00 | 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 32 36 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 | 1-1;2-3-1;..26.....1;1-1-1;2-3-1 |
7be20 | 3b 00 00 00 02 73 6d 69 6c 65 73 00 2f 00 00 00 4f 43 31 43 43 43 32 28 43 28 43 31 29 43 43 43 | ;....smiles./...OC1CCC2(C(C1)CCC |
7be40 | 31 43 32 43 43 43 32 28 43 31 43 43 43 32 43 28 43 43 43 28 3d 4f 29 4f 29 43 29 43 29 43 00 09 | 1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C.. |
7be60 | 75 70 64 61 74 65 64 5f 61 74 00 d2 87 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 90 | updated_at...}FP....created_at.. |
7be80 | 78 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | x}FP....default_fingerprint_size |
7bea0 | 00 00 00 00 00 02 69 6e 63 68 69 00 89 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 34 48 34 30 4f | ......inchi.....InChI=1S/C24H40O |
7bec0 | 33 2f 63 31 2d 31 35 28 34 2d 39 2d 32 32 28 32 36 29 32 37 29 31 39 2d 37 2d 38 2d 32 30 2d 31 | 3/c1-15(4-9-22(26)27)19-7-8-20-1 |
7bee0 | 38 2d 36 2d 35 2d 31 36 2d 31 34 2d 31 37 28 32 35 29 31 30 2d 31 32 2d 32 33 28 31 36 2c 32 29 | 8-6-5-16-14-17(25)10-12-23(16,2) |
7bf00 | 32 31 28 31 38 29 31 31 2d 31 33 2d 32 34 28 31 39 2c 32 30 29 33 2f 68 31 35 2d 32 31 2c 32 35 | 21(18)11-13-24(19,20)3/h15-21,25 |
7bf20 | 48 2c 34 2d 31 34 48 32 2c 31 2d 33 48 33 2c 28 48 2c 32 36 2c 32 37 29 00 00 f8 01 00 00 07 5f | H,4-14H2,1-3H3,(H,26,27)......._ |
7bf40 | 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 11 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V.$7+r.0.....warnings.......f |
7bf60 | 69 6e 67 65 72 70 72 69 6e 74 73 00 15 01 00 00 04 4d 50 32 44 00 0a 01 00 00 02 30 00 0f 00 00 | ingerprints......MP2D......0.... |
7bf80 | 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 | .1;1-1-1;2-2-1;..1.....1;1-3-1;2 |
7bfa0 | 2d 32 2d 31 3b 00 02 32 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 33 00 0f | -2-1;..2.....1;1-2-1;2-3-1;..3.. |
7bfc0 | 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 34 00 15 00 00 00 31 3b 31 2d 33 2d 31 | ...1;1-2-1;2-3-1;..4.....1;1-3-1 |
7bfe0 | 3b 32 2d 34 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 | ;2-4-1;2-1-8;..5.....1;1-2-1;1-1 |
7c000 | 2d 38 3b 32 2d 33 2d 31 3b 00 02 36 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 | -8;2-3-1;..6.....1;1-2-1;2-3-1;2 |
7c020 | 2d 31 2d 38 3b 00 02 37 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 38 00 0f | -1-8;..7.....8;1-1-1;2-2-1;..8.. |
7c040 | 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 32 2d 31 3b 00 02 39 00 0f 00 00 00 31 3b 31 2d 31 2d 31 | ...1;1-3-1;2-2-1;..9.....1;1-1-1 |
7c060 | 3b 32 2d 32 2d 31 3b 00 02 31 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 00 | ;2-2-1;..10.....1;1-1-1;2-2-1;.. |
7c080 | 00 02 73 6d 69 6c 65 73 00 14 00 00 00 43 43 31 43 43 43 28 43 28 43 31 29 4f 29 43 28 43 29 43 | ..smiles.....CC1CCC(C(C1)O)C(C)C |
7c0a0 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 d4 87 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at...}FP....created_at |
7c0c0 | 00 96 78 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | ..x}FP....default_fingerprint_si |
7c0e0 | 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 3f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 32 | ze......inchi.?...InChI=1S/C10H2 |
7c100 | 30 4f 2f 63 31 2d 37 28 32 29 39 2d 35 2d 34 2d 38 28 33 29 36 2d 31 30 28 39 29 31 31 2f 68 37 | 0O/c1-7(2)9-5-4-8(3)6-10(9)11/h7 |
7c120 | 2d 31 31 48 2c 34 2d 36 48 32 2c 31 2d 33 48 33 00 00 89 01 00 00 07 5f 69 64 00 56 16 24 37 2b | -11H,4-6H2,1-3H3......._id.V.$7+ |
7c140 | 72 ed 30 fb 00 00 12 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.0.....warnings.......fingerpri |
7c160 | 6e 74 73 00 be 00 00 00 04 4d 50 32 44 00 b3 00 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 32 | nts......MP2D......0.....1;1-1-2 |
7c180 | 3b 32 2d 32 2d 32 3b 00 02 31 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 32 | ;2-2-2;..1.....2;1-1-1;1-2-2;2-2 |
7c1a0 | 2d 33 32 3b 00 02 32 00 15 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b | -32;..2.....2;1-1-2;2-1-1;2-1-2; |
7c1c0 | 00 02 33 00 1c 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d 31 3b 32 2d 31 | ..3.....2;1-1-2;1-2-32;2-1-1;2-1 |
7c1e0 | 2d 32 3b 00 02 34 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 32 | -2;..4.....32;1-1-2;2-1-2;2-1-32 |
7c200 | 3b 00 02 35 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 32 3b 00 | ;..5.....32;1-1-2;2-1-2;2-1-32;. |
7c220 | 00 00 02 73 6d 69 6c 65 73 00 0d 00 00 00 43 43 28 3d 43 29 43 28 3d 4f 29 4f 00 09 75 70 64 61 | ...smiles.....CC(=C)C(=O)O..upda |
7c240 | 74 65 64 5f 61 74 00 d6 87 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 9b 78 7d 46 50 | ted_at...}FP....created_at..x}FP |
7c260 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
7c280 | 00 02 69 6e 63 68 69 00 2e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 36 4f 32 2f 63 31 2d 33 | ..inchi.....InChI=1S/C4H6O2/c1-3 |
7c2a0 | 28 32 29 34 28 35 29 36 2f 68 31 48 32 2c 32 48 33 2c 28 48 2c 35 2c 36 29 00 00 29 02 00 00 07 | (2)4(5)6/h1H2,2H3,(H,5,6)..).... |
7c2c0 | 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 13 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V.$7+r.0.....warnings....... |
7c2e0 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 51 01 00 00 04 4d 50 32 44 00 46 01 00 00 02 30 00 0f 00 | fingerprints.Q....MP2D.F....0... |
7c300 | 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 31 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b | ..1;1-1-8;2-1-2;..1.....8;1-1-1; |
7c320 | 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 00 21 00 00 00 32 3b 31 2d 31 2d | 1-1-2;2-1-3;2-1-9;..2.!...2;1-1- |
7c340 | 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 15 00 | 3;1-1-8;1-1-9;2-1-1;2-2-3;..3... |
7c360 | 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 21 00 00 00 33 3b | ..9;1-1-2;2-1-3;2-1-8;..4.!...3; |
7c380 | 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 | 1-1-2;1-2-3;2-2-3;2-2-8;2-1-9;.. |
7c3a0 | 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 0f 00 | 5.....3;1-2-3;2-1-2;2-2-3;..6... |
7c3c0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b | ..3;1-2-3;2-2-3;..7.....3;1-2-3; |
7c3e0 | 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 2-2-3;..8.....3;1-2-3;2-2-3;2-1- |
7c400 | 38 3b 00 02 39 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d | 8;..9.....3;1-2-3;1-1-8;2-1-2;2- |
7c420 | 32 2d 33 3b 00 02 31 30 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 | 2-3;..10.....8;1-1-3;2-2-3;....s |
7c440 | 6d 69 6c 65 73 00 11 00 00 00 43 4f 43 28 3d 4f 29 63 31 63 63 63 63 63 31 4f 00 09 75 70 64 61 | miles.....COC(=O)c1ccccc1O..upda |
7c460 | 74 65 64 5f 61 74 00 d8 87 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a1 78 7d 46 50 | ted_at...}FP....created_at..x}FP |
7c480 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
7c4a0 | 00 02 69 6e 63 68 69 00 37 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 38 4f 33 2f 63 31 2d 31 | ..inchi.7...InChI=1S/C8H8O3/c1-1 |
7c4c0 | 31 2d 38 28 31 30 29 36 2d 34 2d 32 2d 33 2d 35 2d 37 28 36 29 39 2f 68 32 2d 35 2c 39 48 2c 31 | 1-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1 |
7c4e0 | 48 33 00 00 7e 01 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 14 04 77 61 72 6e 69 6e | H3..~...._id.V.$7+r.0.....warnin |
7c500 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 bc 00 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
7c520 | b1 00 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 15 00 00 | .....0.....8;1-1-3;2-2-3;..1.... |
7c540 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 00 02 32 00 15 00 00 00 33 3b 31 | .3;1-2-3;1-1-8;2-2-3;..2.....3;1 |
7c560 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | -2-3;2-2-3;2-1-8;..3.....3;1-2-3 |
7c580 | 3b 32 2d 32 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 | ;2-2-3;..4.....3;1-2-3;2-2-3;..5 |
7c5a0 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 | .....3;1-2-3;2-2-3;..6.....3;1-2 |
7c5c0 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 0a 00 00 00 4f 63 | -3;2-2-3;2-1-8;....smiles.....Oc |
7c5e0 | 31 63 63 63 63 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 da 87 7d 46 50 01 00 00 09 63 72 65 | 1ccccc1..updated_at...}FP....cre |
7c600 | 61 74 65 64 5f 61 74 00 a8 78 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at..x}FP....default_fingerp |
7c620 | 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 28 00 00 00 49 6e 43 68 49 3d 31 | rint_size......inchi.(...InChI=1 |
7c640 | 53 2f 43 36 48 36 4f 2f 63 37 2d 36 2d 34 2d 32 2d 31 2d 33 2d 35 2d 36 2f 68 31 2d 35 2c 37 48 | S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H |
7c660 | 00 00 dd 02 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 15 04 77 61 72 6e 69 6e 67 73 | ......._id.V.$7+r.0.....warnings |
7c680 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 e3 01 00 00 04 4d 50 32 44 00 d8 01 | .......fingerprints......MP2D... |
7c6a0 | 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 | ...0.....1;1-1-1;2-1-1;..1.....1 |
7c6c0 | 3b 31 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | ;1-2-1;2-1-8;..2.....1;1-1-1;1-1 |
7c6e0 | 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 | -8;2-1-1;2-1-2;..3.!...8;1-1-1;1 |
7c700 | 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 34 00 21 00 00 00 32 | -1-2;2-1-1;2-1-3;2-1-9;..4.!...2 |
7c720 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | ;1-1-3;1-1-8;1-1-9;2-1-1;2-2-3;. |
7c740 | 02 35 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 21 | .5.....9;1-1-2;2-1-3;2-1-8;..6.! |
7c760 | 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 | ...3;1-1-2;1-2-3;2-2-3;2-1-8;2-1 |
7c780 | 2d 39 3b 00 02 37 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 | -9;..7.....3;1-2-3;2-1-2;2-2-3;2 |
7c7a0 | 2d 31 2d 38 3b 00 02 38 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 | -1-8;..8.....3;1-2-3;1-1-8;2-2-3 |
7c7c0 | 3b 32 2d 31 2d 38 3b 00 02 39 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | ;2-1-8;..9.....8;1-1-3;2-2-3;..1 |
7c7e0 | 30 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b | 0.....3;1-2-3;1-1-8;2-2-3;2-2-8; |
7c800 | 00 02 31 31 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 | ..11.....3;1-2-3;1-1-8;2-2-3;2-1 |
7c820 | 2d 38 3b 00 02 31 32 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b | -8;..12.....3;1-2-3;2-1-2;2-2-3; |
7c840 | 32 2d 31 2d 38 3b 00 02 31 33 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | 2-1-8;..13.....8;1-1-3;2-2-3;..1 |
7c860 | 34 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1b | 4.....8;1-1-3;2-2-3;....smiles.. |
7c880 | 00 00 00 43 43 43 4f 43 28 3d 4f 29 63 31 63 63 28 4f 29 63 28 63 28 63 31 29 4f 29 4f 00 09 75 | ...CCCOC(=O)c1cc(O)c(c(c1)O)O..u |
7c8a0 | 70 64 61 74 65 64 5f 61 74 00 dc 87 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ae 78 | pdated_at...}FP....created_at..x |
7c8c0 | 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | }FP....default_fingerprint_size. |
7c8e0 | 00 00 00 00 02 69 6e 63 68 69 00 4f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 32 4f 35 | .....inchi.O...InChI=1S/C10H12O5 |
7c900 | 2f 63 31 2d 32 2d 33 2d 31 35 2d 31 30 28 31 34 29 36 2d 34 2d 37 28 31 31 29 39 28 31 33 29 38 | /c1-2-3-15-10(14)6-4-7(11)9(13)8 |
7c920 | 28 31 32 29 35 2d 36 2f 68 34 2d 35 2c 31 31 2d 31 33 48 2c 32 2d 33 48 32 2c 31 48 33 00 00 73 | (12)5-6/h4-5,11-13H,2-3H2,1H3..s |
7c940 | 02 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 16 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V.$7+r.0.....warnings... |
7c960 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 84 01 00 00 04 4d 50 32 44 00 79 01 00 00 02 | ....fingerprints......MP2D.y.... |
7c980 | 30 00 0f 00 00 00 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 16 00 00 00 31 3b 31 2d | 0.....5;1-1-1;2-1-1;..1.....1;1- |
7c9a0 | 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 39 3b 00 02 32 00 1c 00 00 00 31 3b 31 2d 31 2d 31 | 1-1;1-1-5;2-1-19;..2.....1;1-1-1 |
7c9c0 | 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 35 3b 00 02 33 00 1c 00 00 00 31 39 3b 31 | ;1-1-19;2-1-3;2-1-5;..3.....19;1 |
7c9e0 | 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 1c 00 00 00 33 | -1-1;1-1-3;2-1-1;2-2-3;..4.....3 |
7ca00 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 35 00 16 00 | ;1-2-3;1-1-19;2-1-1;2-3-3;..5... |
7ca20 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 36 00 0f 00 00 00 33 | ..3;1-2-3;2-2-3;2-1-19;..6.....3 |
7ca40 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 | ;1-2-3;2-2-3;..7.....3;1-2-3;2-3 |
7ca60 | 2d 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 39 00 16 00 00 | -3;..8.....3;1-3-3;2-4-3;..9.... |
7ca80 | 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 0f 00 00 00 33 | .3;1-3-3;2-4-3;2-1-19;..10.....3 |
7caa0 | 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;1-2-3;2-3-3;..11.....3;1-2-3;2- |
7cac0 | 32 2d 33 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 | 2-3;..12.....3;1-2-3;2-2-3;..13. |
7cae0 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 13 00 00 | ....3;1-2-3;2-3-3;....smiles.... |
7cb00 | 00 4e 43 43 4e 63 31 63 63 63 63 32 63 31 63 63 63 63 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 | .NCCNc1cccc2c1cccc2..updated_at. |
7cb20 | e1 87 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 be 78 7d 46 50 01 00 00 10 64 65 66 | ..}FP....created_at..x}FP....def |
7cb40 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
7cb60 | 00 4c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 34 4e 32 2f 63 31 33 2d 38 2d 39 2d 31 | .L...InChI=1S/C12H14N2/c13-8-9-1 |
7cb80 | 34 2d 31 32 2d 37 2d 33 2d 35 2d 31 30 2d 34 2d 31 2d 32 2d 36 2d 31 31 28 31 30 29 31 32 2f 68 | 4-12-7-3-5-10-4-1-2-6-11(10)12/h |
7cba0 | 31 2d 37 2c 31 34 48 2c 38 2d 39 2c 31 33 48 32 00 00 92 01 00 00 07 5f 69 64 00 56 16 24 37 2b | 1-7,14H,8-9,13H2......._id.V.$7+ |
7cbc0 | 72 ed 30 fb 00 00 17 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.0.....warnings.......fingerpri |
7cbe0 | 6e 74 73 00 c5 00 00 00 04 4d 50 32 44 00 ba 00 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d | nts......MP2D......0.....15;1-1- |
7cc00 | 31 3b 32 2d 31 2d 31 3b 00 02 31 00 17 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 | 1;2-1-1;..1.....1;1-1-1;1-1-15;2 |
7cc20 | 2d 31 2d 33 31 3b 00 02 32 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 31 3b 32 2d 33 | -1-31;..2.....1;1-1-1;1-1-31;2-3 |
7cc40 | 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 33 00 10 00 00 00 33 31 3b 31 2d 34 2d 31 3b 32 2d 31 2d 31 | -1;2-1-15;..3.....31;1-4-1;2-1-1 |
7cc60 | 3b 00 02 34 00 10 00 00 00 31 3b 31 2d 31 2d 33 31 3b 32 2d 33 2d 31 3b 00 02 35 00 10 00 00 00 | ;..4.....1;1-1-31;2-3-1;..5..... |
7cc80 | 31 3b 31 2d 31 2d 33 31 3b 32 2d 33 2d 31 3b 00 02 36 00 10 00 00 00 31 3b 31 2d 31 2d 33 31 3b | 1;1-1-31;2-3-1;..6.....1;1-1-31; |
7cca0 | 32 2d 33 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 0f 00 00 00 43 6c 43 43 5b 4e 5d 28 43 29 28 | 2-3-1;....smiles.....ClCC[N](C)( |
7ccc0 | 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 e2 87 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 | C)C..updated_at...}FP....created |
7cce0 | 5f 61 74 00 c4 78 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at..x}FP....default_fingerprint |
7cd00 | 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 2e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 35 | _size......inchi.....InChI=1S/C5 |
7cd20 | 48 31 33 43 6c 4e 2f 63 31 2d 37 28 32 2c 33 29 35 2d 34 2d 36 2f 68 34 2d 35 48 32 2c 31 2d 33 | H13ClN/c1-7(2,3)5-4-6/h4-5H2,1-3 |
7cd40 | 48 33 00 00 d1 02 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 18 04 77 61 72 6e 69 6e | H3......._id.V.$7+r.0.....warnin |
7cd60 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 d6 01 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
7cd80 | cb 01 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 00 1c 00 | .....0.....15;1-1-1;2-1-2;..1... |
7cda0 | 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 | ..1;1-1-2;1-1-15;2-1-3;2-1-9;..2 |
7cdc0 | 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 32 | ."...2;1-1-1;1-1-3;1-1-9;2-2-3;2 |
7cde0 | 2d 31 2d 31 35 3b 00 02 33 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d | -1-15;..3.....9;1-1-2;2-1-1;2-1- |
7ce00 | 33 3b 00 02 34 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | 3;..4.!...3;1-1-2;1-2-3;2-1-1;2- |
7ce20 | 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b | 2-3;2-1-9;..5.....3;1-2-3;2-1-2; |
7ce40 | 32 2d 32 2d 33 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 2-2-3;..6.....3;1-2-3;2-2-3;2-1- |
7ce60 | 32 38 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b | 28;..7.....3;1-2-3;1-1-28;2-1-2; |
7ce80 | 32 2d 32 2d 33 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 2-2-3;..8.....3;1-2-3;2-2-3;2-1- |
7cea0 | 32 38 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 | 28;..9.....3;1-2-3;2-1-2;2-2-3;. |
7cec0 | 02 31 30 00 22 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 | .10."...28;1-1-2;1-1-3;2-1-1;2-2 |
7cee0 | 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 31 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b | -3;2-1-9;..11.....2;1-1-1;1-1-9; |
7cf00 | 31 2d 31 2d 32 38 3b 32 2d 31 2d 33 3b 00 02 31 32 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d | 1-1-28;2-1-3;..12.....9;1-1-2;2- |
7cf20 | 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 16 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d | 1-1;2-1-28;..13.....1;1-1-2;2-1- |
7cf40 | 39 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 1a 00 00 00 43 6c 43 43 28 3d 4f 29 | 9;2-1-28;....smiles.....ClCC(=O) |
7cf60 | 63 31 63 63 63 28 63 63 31 29 4e 43 28 3d 4f 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 e4 87 | c1ccc(cc1)NC(=O)C..updated_at... |
7cf80 | 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ca 78 7d 46 50 01 00 00 10 64 65 66 61 75 | }FP....created_at..x}FP....defau |
7cfa0 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 51 | lt_fingerprint_size......inchi.Q |
7cfc0 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 30 43 6c 4e 4f 32 2f 63 31 2d 37 28 31 33 29 | ...InChI=1S/C10H10ClNO2/c1-7(13) |
7cfe0 | 31 32 2d 39 2d 34 2d 32 2d 38 28 33 2d 35 2d 39 29 31 30 28 31 34 29 36 2d 31 31 2f 68 32 2d 35 | 12-9-4-2-8(3-5-9)10(14)6-11/h2-5 |
7d000 | 48 2c 36 48 32 2c 31 48 33 2c 28 48 2c 31 32 2c 31 33 29 00 00 f6 02 00 00 07 5f 69 64 00 56 16 | H,6H2,1H3,(H,12,13)......._id.V. |
7d020 | 24 37 2b 72 ed 30 fb 00 00 19 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | $7+r.0.....warnings.......finger |
7d040 | 70 72 69 6e 74 73 00 fa 01 00 00 04 4d 50 32 44 00 ef 01 00 00 02 30 00 15 00 00 00 31 3b 31 2d | prints......MP2D......0.....1;1- |
7d060 | 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b | 1-1;2-1-2;2-1-8;..1."...1;1-1-1; |
7d080 | 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 32 2d 32 2d 33 32 3b 00 02 32 00 1c 00 00 | 1-1-2;1-1-8;2-1-3;2-2-32;..2.... |
7d0a0 | 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 00 | .2;1-1-1;1-2-32;2-1-1;2-1-8;..3. |
7d0c0 | 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 34 00 17 00 | ....32;1-1-2;2-1-1;2-1-32;..4... |
7d0e0 | 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 35 00 21 00 00 00 | ..32;1-1-2;2-1-1;2-1-32;..5.!... |
7d100 | 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b | 8;1-1-1;1-1-3;2-1-1;2-1-2;2-2-3; |
7d120 | 00 02 36 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d | ..6."...3;1-2-3;1-1-8;2-1-1;2-2- |
7d140 | 33 3b 32 2d 31 2d 31 35 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 3;2-1-15;..7.....3;1-2-3;2-2-3;2 |
7d160 | 2d 31 2d 38 3b 32 2d 31 2d 31 35 3b 00 02 38 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | -1-8;2-1-15;..8.....3;1-2-3;1-1- |
7d180 | 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 39 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 | 15;2-2-3;2-1-15;..9.....15;1-1-3 |
7d1a0 | 3b 32 2d 32 2d 33 3b 00 02 31 30 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 | ;2-2-3;..10.....3;1-2-3;1-1-15;2 |
7d1c0 | 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | -2-3;2-1-15;..11.....3;1-2-3;2-2 |
7d1e0 | 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 31 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | -3;2-2-15;..12.....3;1-2-3;1-1-1 |
7d200 | 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 33 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b | 5;2-2-3;2-1-8;..13.....15;1-1-3; |
7d220 | 32 2d 32 2d 33 3b 00 02 31 34 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 | 2-2-3;..14.....15;1-1-3;2-2-3;.. |
7d240 | 00 02 73 6d 69 6c 65 73 00 1e 00 00 00 43 43 28 43 28 3d 4f 29 4f 29 4f 63 31 63 63 28 43 6c 29 | ..smiles.....CC(C(=O)O)Oc1cc(Cl) |
7d260 | 63 28 63 63 31 43 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 e7 87 7d 46 50 01 00 00 09 | c(cc1Cl)Cl..updated_at...}FP.... |
7d280 | 63 72 65 61 74 65 64 5f 61 74 00 d4 78 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at..x}FP....default_fing |
7d2a0 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 4e 00 00 00 49 6e 43 68 | erprint_size......inchi.N...InCh |
7d2c0 | 49 3d 31 53 2f 43 39 48 37 43 6c 33 4f 33 2f 63 31 2d 34 28 39 28 31 33 29 31 34 29 31 35 2d 38 | I=1S/C9H7Cl3O3/c1-4(9(13)14)15-8 |
7d2e0 | 2d 33 2d 36 28 31 31 29 35 28 31 30 29 32 2d 37 28 38 29 31 32 2f 68 32 2d 34 48 2c 31 48 33 2c | -3-6(11)5(10)2-7(8)12/h2-4H,1H3, |
7d300 | 28 48 2c 31 33 2c 31 34 29 00 00 d6 05 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 1a | (H,13,14)......._id.V.$7+r.0.... |
7d320 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 69 04 00 | .warnings.......fingerprints.i.. |
7d340 | 00 04 4d 50 32 44 00 5e 04 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b | ..MP2D.^....0.....1;1-1-8;2-1-3; |
7d360 | 00 02 31 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 | ..1.....8;1-1-1;1-1-3;2-2-3;..2. |
7d380 | 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d | !...3;1-2-3;1-1-8;2-1-1;2-2-3;2- |
7d3a0 | 31 2d 36 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b | 1-6;..3.....3;1-2-3;2-2-3;2-1-8; |
7d3c0 | 00 02 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 35 | ..4.....3;1-2-3;2-2-3;2-1-19;..5 |
7d3e0 | 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b | .....3;1-2-3;1-1-19;2-2-3;2-2-9; |
7d400 | 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d | ..6.....3;1-2-3;2-2-3;2-1-6;2-1- |
7d420 | 31 39 3b 00 02 37 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 32 2d 33 3b 32 | 19;..7.!...3;1-2-3;1-1-6;2-2-3;2 |
7d440 | 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 38 00 15 00 00 00 36 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 | -1-6;2-1-8;..8.....6;1-1-3;1-1-6 |
7d460 | 3b 32 2d 33 2d 33 3b 00 02 39 00 15 00 00 00 36 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 33 | ;2-3-3;..9.....6;1-1-3;1-1-6;2-3 |
7d480 | 2d 33 3b 00 02 31 30 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 33 2d 33 3b | -3;..10.!...3;1-2-3;1-1-6;2-3-3; |
7d4a0 | 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 31 31 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | 2-1-6;2-1-8;..11.!...3;1-2-3;1-1 |
7d4c0 | 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 32 00 0f 00 00 00 38 3b | -8;2-1-2;2-2-3;2-1-6;..12.....8; |
7d4e0 | 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 | 1-1-3;2-2-3;..13.(...3;1-1-2;1-2 |
7d500 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 34 | -3;2-2-3;2-1-8;2-1-9;2-1-28;..14 |
7d520 | 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 02 31 35 00 0f 00 | .....3;1-2-3;2-1-2;2-3-3;..15... |
7d540 | 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 36 00 15 00 00 00 33 3b 31 2d 33 2d 33 | ..3;1-3-3;2-4-3;..16.....3;1-3-3 |
7d560 | 3b 32 2d 34 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-4-3;2-1-6;..17.....3;1-2-3;2- |
7d580 | 33 2d 33 3b 00 02 31 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 39 00 | 3-3;..18.....3;1-2-3;2-2-3;..19. |
7d5a0 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 30 00 0f 00 00 00 33 3b 31 2d 32 | ....3;1-2-3;2-2-3;..20.....3;1-2 |
7d5c0 | 2d 33 3b 32 2d 33 2d 33 3b 00 02 32 31 00 1c 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b | -3;2-3-3;..21.....2;1-1-3;1-1-9; |
7d5e0 | 31 2d 31 2d 32 38 3b 32 2d 33 2d 33 3b 00 02 32 32 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d | 1-1-28;2-3-3;..22.....9;1-1-2;2- |
7d600 | 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 32 33 00 1c 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 | 1-3;2-1-28;..23.....28;1-1-2;1-1 |
7d620 | 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-3-3;2-1-9;..24.....3;1-2-3; |
7d640 | 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 35 00 16 00 00 00 33 3b 31 2d | 1-1-28;2-1-2;2-2-3;..25.....3;1- |
7d660 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 32 36 00 0f 00 00 00 33 3b 31 2d 32 2d | 2-3;2-2-3;2-1-28;..26.....3;1-2- |
7d680 | 33 3b 32 2d 32 2d 33 3b 00 02 32 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 3;2-2-3;..27.....3;1-2-3;2-2-3;2 |
7d6a0 | 2d 31 2d 31 39 3b 00 02 32 38 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d | -1-19;..28.....3;1-2-3;1-1-19;2- |
7d6c0 | 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 32 39 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 2-3;2-2-9;..29.....3;1-2-3;2-2-3 |
7d6e0 | 3b 32 2d 31 2d 31 39 3b 32 2d 31 2d 32 38 3b 00 02 33 30 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 | ;2-1-19;2-1-28;..30.....19;1-1-3 |
7d700 | 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 33 31 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 | ;1-2-9;2-2-3;..31.....9;1-1-19;2 |
7d720 | 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 32 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 | -1-3;2-1-9;..32.....9;1-1-19;2-1 |
7d740 | 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 33 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 | -3;2-1-9;..33.....19;1-1-3;1-2-9 |
7d760 | 3b 32 2d 32 2d 33 3b 00 02 33 34 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 | ;2-2-3;..34.....9;1-1-19;2-1-3;2 |
7d780 | 2d 31 2d 39 3b 00 02 33 35 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 | -1-9;..35.....9;1-1-19;2-1-3;2-1 |
7d7a0 | 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 41 00 00 00 43 4f 63 31 63 63 63 28 63 63 31 4e 3d 4e | -9;....smiles.A...COc1ccc(cc1N=N |
7d7c0 | 63 31 63 28 4f 29 63 28 63 63 32 63 31 63 63 63 63 32 29 43 28 3d 4f 29 4e 63 31 63 63 63 63 28 | c1c(O)c(cc2c1cccc2)C(=O)Nc1cccc( |
7d7e0 | 63 31 29 4e 28 3d 4f 29 3d 4f 29 4e 28 3d 4f 29 3d 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 ea | c1)N(=O)=O)N(=O)=O..updated_at.. |
7d800 | 87 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 dc 78 7d 46 50 01 00 00 10 64 65 66 61 | .}FP....created_at..x}FP....defa |
7d820 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 | ult_fingerprint_size......inchi. |
7d840 | 9c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 34 48 31 37 4e 35 4f 37 2f 63 31 2d 33 36 2d 32 31 | ....InChI=1S/C24H17N5O7/c1-36-21 |
7d860 | 2d 31 30 2d 39 2d 31 37 28 32 39 28 33 34 29 33 35 29 31 33 2d 32 30 28 32 31 29 32 36 2d 32 37 | -10-9-17(29(34)35)13-20(21)26-27 |
7d880 | 2d 32 32 2d 31 38 2d 38 2d 33 2d 32 2d 35 2d 31 34 28 31 38 29 31 31 2d 31 39 28 32 33 28 32 32 | -22-18-8-3-2-5-14(18)11-19(23(22 |
7d8a0 | 29 33 30 29 32 34 28 33 31 29 32 35 2d 31 35 2d 36 2d 34 2d 37 2d 31 36 28 31 32 2d 31 35 29 32 | )30)24(31)25-15-6-4-7-16(12-15)2 |
7d8c0 | 38 28 33 32 29 33 33 2f 68 32 2d 31 33 2c 33 30 48 2c 31 48 33 2c 28 48 2c 32 35 2c 33 31 29 00 | 8(32)33/h2-13,30H,1H3,(H,25,31). |
7d8e0 | 00 31 03 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 1b 04 77 61 72 6e 69 6e 67 73 00 | .1...._id.V.$7+r.0.....warnings. |
7d900 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 2f 02 00 00 04 4d 50 32 44 00 24 02 00 | ......fingerprints./....MP2D.$.. |
7d920 | 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 16 00 00 00 31 3b | ..0.....8;1-1-1;2-1-1;..1.....1; |
7d940 | 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 39 3b 00 02 32 00 1c 00 00 00 31 3b 31 2d 31 | 1-1-1;1-1-8;2-1-19;..2.....1;1-1 |
7d960 | 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 00 1c 00 00 00 31 39 | -1;1-1-19;2-1-3;2-1-8;..3.....19 |
7d980 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 22 00 00 | ;1-1-1;1-1-3;2-1-1;2-2-3;..4.".. |
7d9a0 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d | .3;1-2-3;1-1-19;2-1-1;2-2-3;2-1- |
7d9c0 | 38 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 | 8;..5.....3;1-2-3;2-2-3;2-1-19;. |
7d9e0 | 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 | .6.....3;1-2-3;2-2-3;2-1-19;..7. |
7da00 | 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 | ....3;1-2-3;1-1-19;2-2-3;2-2-9;. |
7da20 | 02 38 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 | .8.....3;1-2-3;2-2-3;2-1-8;2-1-1 |
7da40 | 39 3b 00 02 39 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d | 9;..9."...3;1-2-3;1-1-8;2-1-1;2- |
7da60 | 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 2-3;2-1-19;..10.....8;1-1-1;1-1- |
7da80 | 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | 3;2-1-1;2-2-3;..11.....1;1-1-1;1 |
7daa0 | 2d 31 2d 38 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 32 00 15 00 00 00 31 3b 31 2d 31 2d | -1-8;2-1-3;2-1-8;..12.....1;1-1- |
7dac0 | 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 38 3b 00 02 31 33 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 | 1;1-1-8;2-1-8;..13.....8;1-1-1;2 |
7dae0 | 2d 31 2d 31 3b 00 02 31 34 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 | -1-1;..14.....19;1-1-3;1-2-9;2-2 |
7db00 | 2d 33 3b 00 02 31 35 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 | -3;..15.....9;1-1-19;2-1-3;2-1-9 |
7db20 | 3b 00 02 31 36 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 | ;..16.....9;1-1-19;2-1-3;2-1-9;. |
7db40 | 00 00 02 73 6d 69 6c 65 73 00 1a 00 00 00 4f 43 43 4e 63 31 63 63 63 28 63 63 31 4f 43 43 4f 29 | ...smiles.....OCCNc1ccc(cc1OCCO) |
7db60 | 4e 28 3d 4f 29 3d 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 ec 87 7d 46 50 01 00 00 09 63 72 65 | N(=O)=O..updated_at...}FP....cre |
7db80 | 61 74 65 64 5f 61 74 00 e2 78 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at..x}FP....default_fingerp |
7dba0 | 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 58 00 00 00 49 6e 43 68 49 3d 31 | rint_size......inchi.X...InChI=1 |
7dbc0 | 53 2f 43 31 30 48 31 34 4e 32 4f 35 2f 63 31 33 2d 34 2d 33 2d 31 31 2d 39 2d 32 2d 31 2d 38 28 | S/C10H14N2O5/c13-4-3-11-9-2-1-8( |
7dbe0 | 31 32 28 31 35 29 31 36 29 37 2d 31 30 28 39 29 31 37 2d 36 2d 35 2d 31 34 2f 68 31 2d 32 2c 37 | 12(15)16)7-10(9)17-6-5-14/h1-2,7 |
7dc00 | 2c 31 31 2c 31 33 2d 31 34 48 2c 33 2d 36 48 32 00 00 62 03 00 00 07 5f 69 64 00 56 16 24 37 2b | ,11,13-14H,3-6H2..b...._id.V.$7+ |
7dc20 | 72 ed 30 fb 00 00 1c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.0.....warnings.......fingerpri |
7dc40 | 6e 74 73 00 58 02 00 00 04 4d 50 32 44 00 4d 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 | nts.X....MP2D.M....0.....1;1-1-1 |
7dc60 | 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 | ;2-1-8;..1.....1;1-1-1;1-1-8;2-1 |
7dc80 | 2d 31 3b 00 02 32 00 16 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b | -1;..2.....8;1-2-1;2-1-1;2-1-28; |
7dca0 | 00 02 33 00 22 00 00 00 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 | ..3."...1;1-1-8;1-1-28;2-1-1;2-1 |
7dcc0 | 2d 32 3b 32 2d 31 2d 33 3b 00 02 34 00 2e 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | -2;2-1-3;..4.....28;1-1-1;1-1-2; |
7dce0 | 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 | 1-1-3;2-1-1;2-2-3;2-1-8;2-1-9;.. |
7dd00 | 35 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 | 5."...3;1-2-3;1-1-28;2-3-1;2-1-2 |
7dd20 | 3b 32 2d 32 2d 33 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 | ;2-2-3;..6.....3;1-1-1;1-2-3;2-2 |
7dd40 | 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b | -3;2-1-28;..7.....1;1-1-3;2-2-3; |
7dd60 | 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 | ..8.....3;1-2-3;2-1-1;2-2-3;..9. |
7dd80 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 | ....3;1-2-3;2-2-3;..10.....3;1-2 |
7dda0 | 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b | -3;2-1-1;2-2-3;..11."...3;1-1-1; |
7ddc0 | 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 15 00 | 1-2-3;2-1-1;2-2-3;2-1-28;..12... |
7dde0 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 31 | ..1;1-1-1;1-1-3;2-2-3;..13.....1 |
7de00 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 34 00 29 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d | ;1-1-1;2-1-3;..14.)...2;1-1-1;1- |
7de20 | 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 | 1-9;1-1-28;2-1-1;2-1-3;2-1-15;.. |
7de40 | 31 35 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 36 | 15.....9;1-1-2;2-1-1;2-1-28;..16 |
7de60 | 00 1d 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 | .....1;1-1-2;1-1-15;2-1-9;2-1-28 |
7de80 | 3b 00 02 31 37 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 | ;..17.....15;1-1-1;2-1-2;....smi |
7dea0 | 6c 65 73 00 1d 00 00 00 43 43 4f 43 4e 28 63 31 63 28 43 29 63 63 63 63 31 43 43 29 43 28 3d 4f | les.....CCOCN(c1c(C)cccc1CC)C(=O |
7dec0 | 29 43 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 ee 87 7d 46 50 01 00 00 09 63 72 65 61 74 65 | )CCl..updated_at...}FP....create |
7dee0 | 64 5f 61 74 00 e8 78 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at..x}FP....default_fingerprin |
7df00 | 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 5d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.]...InChI=1S/C |
7df20 | 31 34 48 32 30 43 6c 4e 4f 32 2f 63 31 2d 34 2d 31 32 2d 38 2d 36 2d 37 2d 31 31 28 33 29 31 34 | 14H20ClNO2/c1-4-12-8-6-7-11(3)14 |
7df40 | 28 31 32 29 31 36 28 31 30 2d 31 38 2d 35 2d 32 29 31 33 28 31 37 29 39 2d 31 35 2f 68 36 2d 38 | (12)16(10-18-5-2)13(17)9-15/h6-8 |
7df60 | 48 2c 34 2d 35 2c 39 2d 31 30 48 32 2c 31 2d 33 48 33 00 00 62 04 00 00 07 5f 69 64 00 56 16 24 | H,4-5,9-10H2,1-3H3..b...._id.V.$ |
7df80 | 37 2b 72 ed 30 fb 00 00 1d 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | 7+r.0.....warnings.......fingerp |
7dfa0 | 72 69 6e 74 73 00 1c 03 00 00 04 4d 50 32 44 00 11 03 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d | rints......MP2D......0.....15;1- |
7dfc0 | 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 | 1-3;2-2-3;..1.....3;1-2-3;1-1-15 |
7dfe0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | ;2-2-3;2-1-8;..2.....3;1-2-3;2-1 |
7e000 | 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 33 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b | -1;2-2-3;2-1-15;..3.....3;1-1-1; |
7e020 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 | 1-2-3;2-2-3;2-3-16;..4.....3;1-2 |
7e040 | 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | -3;2-1-1;2-2-3;..5.....3;1-2-3;2 |
7e060 | 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 | -2-3;2-1-8;..6.....3;1-2-3;1-1-8 |
7e080 | 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 37 00 0f 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d | ;2-3-3;2-1-15;..7.....8;1-2-3;2- |
7e0a0 | 34 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b | 4-3;..8.....3;1-2-3;1-1-8;2-3-3; |
7e0c0 | 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 30 | ..9.....3;1-2-3;2-2-3;2-1-8;..10 |
7e0e0 | 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 29 | .....3;1-2-3;2-2-3;2-1-19;..11.) |
7e100 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d | ...3;1-2-3;1-1-19;2-1-2;2-2-3;2- |
7e120 | 31 2d 39 3b 32 2d 31 2d 33 32 3b 00 02 31 32 00 23 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d | 1-9;2-1-32;..12.#...3;1-1-2;1-2- |
7e140 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 32 2d 32 2d 33 32 3b 00 02 31 33 00 1b 00 00 00 33 | 3;2-2-3;2-1-19;2-2-32;..13.....3 |
7e160 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 34 00 16 00 | ;1-2-3;2-1-2;2-2-3;2-1-8;..14... |
7e180 | 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 32 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 31 35 00 17 00 00 00 | ..2;1-1-3;1-2-32;2-2-3;..15..... |
7e1a0 | 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 36 00 17 00 00 00 33 | 32;1-1-2;2-1-3;2-1-32;..16.....3 |
7e1c0 | 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 37 00 1d 00 00 00 31 39 | 2;1-1-2;2-1-3;2-1-32;..17.....19 |
7e1e0 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 31 38 00 17 | ;1-1-3;1-1-9;1-1-32;2-2-3;..18.. |
7e200 | 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 39 00 17 00 | ...9;1-1-19;2-1-3;2-1-32;..19... |
7e220 | 00 00 33 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 30 00 16 00 00 | ..32;1-1-19;2-1-3;2-1-9;..20.... |
7e240 | 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 32 31 00 17 00 00 00 31 | .1;1-1-3;1-3-16;2-2-3;..21.....1 |
7e260 | 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 32 00 17 00 00 00 31 36 | 6;1-1-1;2-1-3;2-2-16;..22.....16 |
7e280 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 33 00 17 00 00 00 31 36 3b | ;1-1-1;2-1-3;2-2-16;..23.....16; |
7e2a0 | 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 34 00 04 00 00 00 32 31 3b 00 | 1-1-1;2-1-3;2-2-16;..24.....21;. |
7e2c0 | 00 00 02 73 6d 69 6c 65 73 00 3d 00 00 00 43 6c 63 31 63 63 28 63 63 63 31 4f 63 31 63 63 63 28 | ...smiles.=...Clc1cc(ccc1Oc1ccc( |
7e2e0 | 63 28 63 31 29 43 28 3d 4f 29 5b 4f 2d 5d 29 5b 4e 2b 5d 28 3d 4f 29 5b 4f 2d 5d 29 43 28 46 29 | c(c1)C(=O)[O-])[N+](=O)[O-])C(F) |
7e300 | 28 46 29 46 2e 5b 4e 61 2b 5d 00 09 75 70 64 61 74 65 64 5f 61 74 00 f1 87 7d 46 50 01 00 00 09 | (F)F.[Na+]..updated_at...}FP.... |
7e320 | 63 72 65 61 74 65 64 5f 61 74 00 ef 78 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at..x}FP....default_fing |
7e340 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 79 00 00 00 49 6e 43 68 | erprint_size......inchi.y...InCh |
7e360 | 49 3d 31 53 2f 43 31 34 48 37 43 6c 46 33 4e 4f 35 2e 4e 61 2f 63 31 35 2d 31 30 2d 35 2d 37 28 | I=1S/C14H7ClF3NO5.Na/c15-10-5-7( |
7e380 | 31 34 28 31 36 2c 31 37 29 31 38 29 31 2d 34 2d 31 32 28 31 30 29 32 34 2d 38 2d 32 2d 33 2d 31 | 14(16,17)18)1-4-12(10)24-8-2-3-1 |
7e3a0 | 31 28 31 39 28 32 32 29 32 33 29 39 28 36 2d 38 29 31 33 28 32 30 29 32 31 3b 2f 68 31 2d 36 48 | 1(19(22)23)9(6-8)13(20)21;/h1-6H |
7e3c0 | 2c 28 48 2c 32 30 2c 32 31 29 3b 2f 71 3b 2b 31 2f 70 2d 31 00 00 62 03 00 00 07 5f 69 64 00 56 | ,(H,20,21);/q;+1/p-1..b...._id.V |
7e3e0 | 16 24 37 2b 72 ed 30 fb 00 00 1e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | .$7+r.0.....warnings.......finge |
7e400 | 72 70 72 69 6e 74 73 00 58 02 00 00 04 4d 50 32 44 00 4d 02 00 00 02 30 00 0f 00 00 00 31 3b 31 | rprints.X....MP2D.M....0.....1;1 |
7e420 | 2d 31 2d 38 3b 32 2d 31 2d 31 3b 00 02 31 00 10 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 31 2d 32 | -1-8;2-1-1;..1.....8;1-2-1;2-1-2 |
7e440 | 38 3b 00 02 32 00 22 00 00 00 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 | 8;..2."...1;1-1-8;1-1-28;2-1-1;2 |
7e460 | 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 33 00 2e 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -1-2;2-1-3;..3.....28;1-1-1;1-1- |
7e480 | 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b | 2;1-1-3;2-1-1;2-2-3;2-1-8;2-1-9; |
7e4a0 | 00 02 34 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 32 2d 31 | ..4."...3;1-2-3;1-1-28;2-3-1;2-1 |
7e4c0 | 2d 32 3b 32 2d 32 2d 33 3b 00 02 35 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 | -2;2-2-3;..5."...3;1-1-1;1-2-3;2 |
7e4e0 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 36 00 15 00 00 00 31 3b 31 2d 31 2d | -1-1;2-2-3;2-1-28;..6.....1;1-1- |
7e500 | 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d | 1;1-1-3;2-2-3;..7.....1;1-1-1;2- |
7e520 | 31 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | 1-3;..8.....3;1-2-3;2-1-1;2-2-3; |
7e540 | 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 15 00 00 00 33 | ..9.....3;1-2-3;2-2-3;..10.....3 |
7e560 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 22 00 00 00 33 3b 31 2d | ;1-2-3;2-1-1;2-2-3;..11."...3;1- |
7e580 | 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 | 1-1;1-2-3;2-1-1;2-2-3;2-1-28;..1 |
7e5a0 | 32 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f | 2.....1;1-1-1;1-1-3;2-2-3;..13.. |
7e5c0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 34 00 29 00 00 00 32 3b 31 2d 31 2d | ...1;1-1-1;2-1-3;..14.)...2;1-1- |
7e5e0 | 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 | 1;1-1-9;1-1-28;2-1-1;2-1-3;2-1-1 |
7e600 | 35 3b 00 02 31 35 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b | 5;..15.....9;1-1-2;2-1-1;2-1-28; |
7e620 | 00 02 31 36 00 1d 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 39 3b 32 2d | ..16.....1;1-1-2;1-1-15;2-1-9;2- |
7e640 | 31 2d 32 38 3b 00 02 31 37 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 | 1-28;..17.....15;1-1-1;2-1-2;... |
7e660 | 02 73 6d 69 6c 65 73 00 1d 00 00 00 43 4f 43 4e 28 63 31 63 28 43 43 29 63 63 63 63 31 43 43 29 | .smiles.....COCN(c1c(CC)cccc1CC) |
7e680 | 43 28 3d 4f 29 43 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 51 8b 7d 46 50 01 00 00 09 63 72 | C(=O)CCl..updated_at.Q.}FP....cr |
7e6a0 | 65 61 74 65 64 5f 61 74 00 f5 78 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at..x}FP....default_finger |
7e6c0 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 5d 00 00 00 49 6e 43 68 49 3d | print_size......inchi.]...InChI= |
7e6e0 | 31 53 2f 43 31 34 48 32 30 43 6c 4e 4f 32 2f 63 31 2d 34 2d 31 31 2d 37 2d 36 2d 38 2d 31 32 28 | 1S/C14H20ClNO2/c1-4-11-7-6-8-12( |
7e700 | 35 2d 32 29 31 34 28 31 31 29 31 36 28 31 30 2d 31 38 2d 33 29 31 33 28 31 37 29 39 2d 31 35 2f | 5-2)14(11)16(10-18-3)13(17)9-15/ |
7e720 | 68 36 2d 38 48 2c 34 2d 35 2c 39 2d 31 30 48 32 2c 31 2d 33 48 33 00 00 cd 02 00 00 07 5f 69 64 | h6-8H,4-5,9-10H2,1-3H3......._id |
7e740 | 00 56 16 24 37 2b 72 ed 30 fb 00 00 1f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V.$7+r.0.....warnings.......fin |
7e760 | 67 65 72 70 72 69 6e 74 73 00 d1 01 00 00 04 4d 50 32 44 00 c6 01 00 00 02 30 00 0f 00 00 00 31 | gerprints......MP2D......0.....1 |
7e780 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | ;1-1-1;2-1-8;..1.....1;1-1-1;1-1 |
7e7a0 | 2d 38 3b 32 2d 31 2d 33 3b 00 02 32 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 | -8;2-1-3;..2.....8;1-1-1;1-1-3;2 |
7e7c0 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 | -1-1;2-2-3;..3."...3;1-2-3;1-1-8 |
7e7e0 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 34 00 15 00 00 00 33 3b 31 2d | ;2-1-1;2-2-3;2-1-19;..4.....3;1- |
7e800 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | 2-3;2-2-3;2-1-8;..5.....3;1-2-3; |
7e820 | 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | 2-2-3;2-1-28;..6.....3;1-2-3;1-1 |
7e840 | 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b | -28;2-1-2;2-2-3;..7.....3;1-2-3; |
7e860 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 32 2d 31 2d 32 38 3b 00 02 38 00 1c 00 00 00 33 3b 31 2d | 2-2-3;2-1-19;2-1-28;..8.....3;1- |
7e880 | 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 10 00 00 00 31 | 2-3;1-1-19;2-2-3;2-1-8;..9.....1 |
7e8a0 | 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 22 00 00 00 32 38 3b 31 2d 31 2d 32 3b | 9;1-1-3;2-2-3;..10."...28;1-1-2; |
7e8c0 | 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 31 00 1c 00 00 | 1-1-3;2-1-1;2-2-3;2-1-9;..11.... |
7e8e0 | 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 33 3b 00 02 31 32 | .2;1-1-1;1-1-9;1-1-28;2-1-3;..12 |
7e900 | 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 16 | .....9;1-1-2;2-1-1;2-1-28;..13.. |
7e920 | 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 6d 69 6c | ...1;1-1-2;2-1-9;2-1-28;....smil |
7e940 | 65 73 00 16 00 00 00 43 43 4f 63 31 63 63 63 28 63 63 31 4e 29 4e 43 28 3d 4f 29 43 00 09 75 70 | es.....CCOc1ccc(cc1N)NC(=O)C..up |
7e960 | 64 61 74 65 64 5f 61 74 00 f5 87 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 fb 78 7d | dated_at...}FP....created_at..x} |
7e980 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
7e9a0 | 00 00 00 02 69 6e 63 68 69 00 56 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 34 4e 32 4f | ....inchi.V...InChI=1S/C10H14N2O |
7e9c0 | 32 2f 63 31 2d 33 2d 31 34 2d 31 30 2d 35 2d 34 2d 38 28 36 2d 39 28 31 30 29 31 31 29 31 32 2d | 2/c1-3-14-10-5-4-8(6-9(10)11)12- |
7e9e0 | 37 28 32 29 31 33 2f 68 34 2d 36 48 2c 33 2c 31 31 48 32 2c 31 2d 32 48 33 2c 28 48 2c 31 32 2c | 7(2)13/h4-6H,3,11H2,1-2H3,(H,12, |
7ea00 | 31 33 29 00 00 b4 01 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 20 04 77 61 72 6e 69 | 13)......._id.V.$7+r.0.....warni |
7ea20 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 e8 00 00 00 04 4d 50 32 44 | ngs.......fingerprints......MP2D |
7ea40 | 00 dd 00 00 00 02 30 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 | ......0.....19;1-1-3;2-2-3;..1.. |
7ea60 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 | ...3;1-2-3;1-1-19;2-2-3;..2..... |
7ea80 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 15 00 00 00 33 3b 31 | 3;1-2-3;2-2-3;2-1-19;..3.....3;1 |
7eaa0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 | -2-3;2-2-3;2-1-8;..4.....3;1-2-3 |
7eac0 | 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | ;1-1-8;2-2-3;..5.....3;1-2-3;2-2 |
7eae0 | 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | -3;2-1-8;..6.....3;1-2-3;2-2-3;2 |
7eb00 | 2d 31 2d 31 39 3b 00 02 37 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 | -1-19;..7.....8;1-1-3;2-2-3;.... |
7eb20 | 73 6d 69 6c 65 73 00 0d 00 00 00 4e 63 31 63 63 63 28 63 63 31 29 4f 00 09 75 70 64 61 74 65 64 | smiles.....Nc1ccc(cc1)O..updated |
7eb40 | 5f 61 74 00 f7 87 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 01 79 7d 46 50 01 00 00 | _at...}FP....created_at..y}FP... |
7eb60 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 | .default_fingerprint_size......i |
7eb80 | 6e 63 68 69 00 2f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 37 4e 4f 2f 63 37 2d 35 2d 31 2d | nchi./...InChI=1S/C6H7NO/c7-5-1- |
7eba0 | 33 2d 36 28 38 29 34 2d 32 2d 35 2f 68 31 2d 34 2c 38 48 2c 37 48 32 00 00 fc 01 00 00 07 5f 69 | 3-6(8)4-2-5/h1-4,8H,7H2......._i |
7ebc0 | 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 21 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V.$7+r.0...!.warnings.......fi |
7ebe0 | 6e 67 65 72 70 72 69 6e 74 73 00 22 01 00 00 04 4d 50 32 44 00 17 01 00 00 02 30 00 15 00 00 00 | ngerprints."....MP2D......0..... |
7ec00 | 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 00 15 00 00 00 31 3b 31 2d | 1;1-1-1;2-1-1;2-1-5;..1.....1;1- |
7ec20 | 32 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 33 3b 00 02 32 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b | 2-1;1-1-5;2-1-3;..2.!...1;1-1-1; |
7ec40 | 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 00 02 33 00 1b 00 00 00 | 1-1-3;2-1-1;2-2-3;2-1-5;..3..... |
7ec60 | 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 15 00 | 3;1-1-1;1-2-3;2-1-1;2-2-3;..4... |
7ec80 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b | ..3;1-2-3;2-1-1;2-2-3;..5.....3; |
7eca0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 1-2-3;2-2-3;..6.....3;1-2-3;2-2- |
7ecc0 | 33 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 | 3;..7.....3;1-2-3;2-2-3;..8..... |
7ece0 | 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 35 3b 31 2d | 3;1-2-3;2-1-1;2-2-3;..9.....5;1- |
7ed00 | 31 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 0f 00 00 00 43 43 28 43 63 31 63 | 1-1;2-2-1;....smiles.....CC(Cc1c |
7ed20 | 63 63 63 63 31 29 4e 00 09 75 70 64 61 74 65 64 5f 61 74 00 fa 87 7d 46 50 01 00 00 09 63 72 65 | cccc1)N..updated_at...}FP....cre |
7ed40 | 61 74 65 64 5f 61 74 00 07 79 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at..y}FP....default_fingerp |
7ed60 | 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 3b 00 00 00 49 6e 43 68 49 3d 31 | rint_size......inchi.;...InChI=1 |
7ed80 | 53 2f 43 39 48 31 33 4e 2f 63 31 2d 38 28 31 30 29 37 2d 39 2d 35 2d 33 2d 32 2d 34 2d 36 2d 39 | S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9 |
7eda0 | 2f 68 32 2d 36 2c 38 48 2c 37 2c 31 30 48 32 2c 31 48 33 00 00 24 02 00 00 07 5f 69 64 00 56 16 | /h2-6,8H,7,10H2,1H3..$...._id.V. |
7edc0 | 24 37 2b 72 ed 30 fb 00 00 22 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | $7+r.0...".warnings.......finger |
7ede0 | 70 72 69 6e 74 73 00 4b 01 00 00 04 4d 50 32 44 00 40 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d | prints.K....MP2D.@....0.....1;1- |
7ee00 | 31 2d 32 3b 32 2d 31 2d 32 3b 00 02 31 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | 1-2;2-1-2;..1.....2;1-1-1;1-1-2; |
7ee20 | 32 2d 31 2d 33 3b 00 02 32 00 1b 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d | 2-1-3;..2.....2;1-1-2;1-1-3;2-1- |
7ee40 | 31 3b 32 2d 32 2d 33 3b 00 02 33 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d | 1;2-2-3;..3.....3;1-1-2;1-2-3;2- |
7ee60 | 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b | 1-2;2-2-3;..4.....3;1-2-3;2-1-2; |
7ee80 | 32 2d 32 2d 33 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 2-2-3;..5.....3;1-2-3;2-2-3;2-1- |
7eea0 | 38 3b 00 02 36 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d | 8;..6.....3;1-2-3;1-1-8;2-1-1;2- |
7eec0 | 32 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b | 2-3;..7.....3;1-2-3;2-2-3;2-1-8; |
7eee0 | 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 39 00 | ..8.....3;1-2-3;2-1-2;2-2-3;..9. |
7ef00 | 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 0f 00 00 | ....8;1-1-1;1-1-3;2-2-3;..10.... |
7ef20 | 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 11 00 00 00 43 43 | .1;1-1-8;2-1-3;....smiles.....CC |
7ef40 | 3d 43 63 31 63 63 63 28 63 63 31 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 fc 87 7d 46 50 | =Cc1ccc(cc1)OC..updated_at...}FP |
7ef60 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 0c 79 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at..y}FP....default_ |
7ef80 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 38 00 00 00 | fingerprint_size......inchi.8... |
7efa0 | 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 32 4f 2f 63 31 2d 33 2d 34 2d 39 2d 35 2d 37 2d 31 30 | InChI=1S/C10H12O/c1-3-4-9-5-7-10 |
7efc0 | 28 31 31 2d 32 29 38 2d 36 2d 39 2f 68 33 2d 38 48 2c 31 2d 32 48 33 00 00 db 01 00 00 07 5f 69 | (11-2)8-6-9/h3-8H,1-2H3......._i |
7efe0 | 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 23 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V.$7+r.0...#.warnings.......fi |
7f000 | 6e 67 65 72 70 72 69 6e 74 73 00 0a 01 00 00 04 4d 50 32 44 00 ff 00 00 00 02 30 00 0f 00 00 00 | ngerprints......MP2D......0..... |
7f020 | 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d | 1;1-1-8;2-1-3;..1.....8;1-1-1;1- |
7f040 | 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b | 1-3;2-2-3;..2.....3;1-2-3;1-1-8; |
7f060 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-1-1;2-2-3;..3.....3;1-2-3;2-2- |
7f080 | 33 3b 32 2d 31 2d 38 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | 3;2-1-8;..4.....3;1-2-3;2-2-3;2- |
7f0a0 | 31 2d 31 39 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d | 1-19;..5.....3;1-2-3;1-1-19;2-2- |
7f0c0 | 33 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 | 3;..6.....3;1-2-3;2-2-3;2-1-19;. |
7f0e0 | 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 10 | .7.....3;1-2-3;2-2-3;2-1-8;..8.. |
7f100 | 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 0e 00 00 | ...19;1-1-3;2-2-3;....smiles.... |
7f120 | 00 43 4f 63 31 63 63 63 28 63 63 31 29 4e 00 09 75 70 64 61 74 65 64 5f 61 74 00 fe 87 7d 46 50 | .COc1ccc(cc1)N..updated_at...}FP |
7f140 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 12 79 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at..y}FP....default_ |
7f160 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 33 00 00 00 | fingerprint_size......inchi.3... |
7f180 | 49 6e 43 68 49 3d 31 53 2f 43 37 48 39 4e 4f 2f 63 31 2d 39 2d 37 2d 34 2d 32 2d 36 28 38 29 33 | InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3 |
7f1a0 | 2d 35 2d 37 2f 68 32 2d 35 48 2c 38 48 32 2c 31 48 33 00 00 0e 02 00 00 07 5f 69 64 00 56 16 24 | -5-7/h2-5H,8H2,1H3......._id.V.$ |
7f1c0 | 37 2b 72 ed 30 fb 00 00 24 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | 7+r.0...$.warnings.......fingerp |
7f1e0 | 72 69 6e 74 73 00 32 01 00 00 04 4d 50 32 44 00 27 01 00 00 02 30 00 17 00 00 00 33 32 3b 31 2d | rints.2....MP2D.'....0.....32;1- |
7f200 | 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 00 16 00 00 00 32 3b 31 2d 31 2d 33 | 1-2;2-1-3;2-1-32;..1.....2;1-1-3 |
7f220 | 3b 31 2d 32 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 32 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 | ;1-2-32;2-2-3;..2.....32;1-1-2;2 |
7f240 | 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 33 00 23 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d | -1-3;2-1-32;..3.#...3;1-1-2;1-2- |
7f260 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 32 2d 32 2d 33 32 3b 00 02 34 00 15 00 00 00 33 3b | 3;2-2-3;2-1-19;2-2-32;..4.....3; |
7f280 | 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d | 1-2-3;2-1-2;2-2-3;..5.....3;1-2- |
7f2a0 | 33 3b 32 2d 32 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 | 3;2-2-3;..6.....3;1-2-3;2-2-3;.. |
7f2c0 | 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 38 00 1c | 7.....3;1-2-3;2-2-3;2-1-19;..8.. |
7f2e0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 | ...3;1-2-3;1-1-19;2-1-2;2-2-3;.. |
7f300 | 39 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 | 9.....19;1-1-3;2-2-3;....smiles. |
7f320 | 10 00 00 00 4f 43 28 3d 4f 29 63 31 63 63 63 63 63 31 4e 00 09 75 70 64 61 74 65 64 5f 61 74 00 | ....OC(=O)c1ccccc1N..updated_at. |
7f340 | 00 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 17 79 7d 46 50 01 00 00 10 64 65 66 | ..}FP....created_at..y}FP....def |
7f360 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
7f380 | 00 3c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 37 4e 4f 32 2f 63 38 2d 36 2d 34 2d 32 2d 31 | .<...InChI=1S/C7H7NO2/c8-6-4-2-1 |
7f3a0 | 2d 33 2d 35 28 36 29 37 28 39 29 31 30 2f 68 31 2d 34 48 2c 38 48 32 2c 28 48 2c 39 2c 31 30 29 | -3-5(6)7(9)10/h1-4H,8H2,(H,9,10) |
7f3c0 | 00 00 28 02 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 25 04 77 61 72 6e 69 6e 67 73 | ..(...._id.V.$7+r.0...%.warnings |
7f3e0 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 47 01 00 00 04 4d 50 32 44 00 3c 01 | .......fingerprints.G....MP2D.<. |
7f400 | 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 | ...0.....15;1-1-3;2-2-3;..1..... |
7f420 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 | 3;1-2-3;1-1-15;2-2-3;..2.....3;1 |
7f440 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d 32 2d | -2-3;2-2-3;2-1-15;..3.....3;1-2- |
7f460 | 33 3b 32 2d 32 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 | 3;2-2-3;..4.....3;1-2-3;2-3-3;.. |
7f480 | 35 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 36 00 16 00 00 00 33 3b 31 2d | 5.....3;1-3-3;2-4-3;..6.....3;1- |
7f4a0 | 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 33 2d 33 | 2-3;2-3-3;2-1-15;..7.....3;1-3-3 |
7f4c0 | 3b 32 2d 34 2d 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 39 | ;2-4-3;..8.....3;1-2-3;2-3-3;..9 |
7f4e0 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d | .....3;1-2-3;2-2-3;..10.....3;1- |
7f500 | 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 2-3;2-2-3;..11.....3;1-2-3;2-2-3 |
7f520 | 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 00 00 02 73 6d 69 6c | ;..12.....3;1-2-3;2-3-3;....smil |
7f540 | 65 73 00 15 00 00 00 43 6c 63 31 63 63 63 63 28 63 31 29 63 31 63 63 63 63 63 31 00 09 75 70 64 | es.....Clc1cccc(c1)c1ccccc1..upd |
7f560 | 61 74 65 64 5f 61 74 00 03 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 1d 79 7d 46 | ated_at...}FP....created_at..y}F |
7f580 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
7f5a0 | 00 00 02 69 6e 63 68 69 00 3c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 39 43 6c 2f 63 31 | ...inchi.<...InChI=1S/C12H9Cl/c1 |
7f5c0 | 33 2d 31 32 2d 38 2d 34 2d 37 2d 31 31 28 39 2d 31 32 29 31 30 2d 35 2d 32 2d 31 2d 33 2d 36 2d | 3-12-8-4-7-11(9-12)10-5-2-1-3-6- |
7f5e0 | 31 30 2f 68 31 2d 39 48 00 00 fc 03 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 26 04 | 10/h1-9H......._id.V.$7+r.0...&. |
7f600 | 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ce 02 00 00 | warnings.......fingerprints..... |
7f620 | 04 4d 50 32 44 00 c3 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 | .MP2D......0.....1;1-1-8;2-1-2;. |
7f640 | 02 31 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 | .1.....8;1-1-1;1-1-2;2-1-1;2-1-9 |
7f660 | 3b 00 02 32 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 | ;..2."...2;1-1-1;1-1-8;1-1-9;2-2 |
7f680 | 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 33 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b | -1;2-1-28;..3.....9;1-1-2;2-1-1; |
7f6a0 | 32 2d 31 2d 38 3b 00 02 34 00 2e 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d | 2-1-8;..4.....1;1-1-1;1-1-2;1-1- |
7f6c0 | 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 00 22 | 28;2-1-2;2-1-3;2-1-8;2-1-9;..5." |
7f6e0 | 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d | ...28;1-1-1;1-1-2;2-2-1;2-1-2;2- |
7f700 | 31 2d 39 3b 00 02 36 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 | 1-9;..6."...2;1-1-1;1-1-9;1-1-28 |
7f720 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 37 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 | ;2-2-1;2-1-5;..7.....9;1-1-2;2-1 |
7f740 | 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 38 00 28 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | -1;2-1-28;..8.(...1;1-1-1;1-1-2; |
7f760 | 31 2d 31 2d 35 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 39 00 22 00 00 | 1-1-5;2-1-2;2-1-9;2-1-28;..9.".. |
7f780 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 35 3b 32 2d 32 2d 33 | .1;1-1-1;1-1-2;2-1-2;2-1-5;2-2-3 |
7f7a0 | 32 3b 00 02 31 30 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d 31 3b | 2;..10.....2;1-1-1;1-2-32;2-1-1; |
7f7c0 | 00 02 31 31 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 | ..11.....32;1-1-2;2-1-1;2-1-32;. |
7f7e0 | 02 31 32 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 | .12.....32;1-1-2;2-1-1;2-1-32;.. |
7f800 | 31 33 00 15 00 00 00 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 34 00 | 13.....5;1-1-1;2-1-1;2-1-2;..14. |
7f820 | 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d | "...1;1-1-1;1-1-3;2-1-2;2-2-3;2- |
7f840 | 31 2d 32 38 3b 00 02 31 35 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 1-28;..15.....3;1-1-1;1-2-3;2-1- |
7f860 | 31 3b 32 2d 32 2d 33 3b 00 02 31 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 | 1;2-2-3;..16.....3;1-2-3;2-1-1;2 |
7f880 | 2d 32 2d 33 3b 00 02 31 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 38 | -2-3;..17.....3;1-2-3;2-2-3;..18 |
7f8a0 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 39 00 0f 00 00 00 33 3b 31 2d | .....3;1-2-3;2-2-3;..19.....3;1- |
7f8c0 | 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 | 2-3;2-2-3;..20.....3;1-2-3;2-1-1 |
7f8e0 | 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 25 00 00 00 43 4f 43 28 3d 4f 29 43 28 4e | ;2-2-3;....smiles.%...COC(=O)C(N |
7f900 | 43 28 3d 4f 29 43 28 43 43 28 3d 4f 29 4f 29 4e 29 43 63 31 63 63 63 63 63 31 00 09 75 70 64 61 | C(=O)C(CC(=O)O)N)Cc1ccccc1..upda |
7f920 | 74 65 64 5f 61 74 00 05 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 23 79 7d 46 50 | ted_at...}FP....created_at.#y}FP |
7f940 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
7f960 | 00 02 69 6e 63 68 69 00 79 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 38 4e 32 4f 35 2f | ..inchi.y...InChI=1S/C14H18N2O5/ |
7f980 | 63 31 2d 32 31 2d 31 34 28 32 30 29 31 31 28 37 2d 39 2d 35 2d 33 2d 32 2d 34 2d 36 2d 39 29 31 | c1-21-14(20)11(7-9-5-3-2-4-6-9)1 |
7f9a0 | 36 2d 31 33 28 31 39 29 31 30 28 31 35 29 38 2d 31 32 28 31 37 29 31 38 2f 68 32 2d 36 2c 31 30 | 6-13(19)10(15)8-12(17)18/h2-6,10 |
7f9c0 | 2d 31 31 48 2c 37 2d 38 2c 31 35 48 32 2c 31 48 33 2c 28 48 2c 31 36 2c 31 39 29 28 48 2c 31 37 | -11H,7-8,15H2,1H3,(H,16,19)(H,17 |
7f9e0 | 2c 31 38 29 00 00 8a 04 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 27 04 77 61 72 6e | ,18)......._id.V.$7+r.0...'.warn |
7fa00 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 57 03 00 00 04 4d 50 32 | ings.......fingerprints.W....MP2 |
7fa20 | 44 00 4c 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 | D.L....0.....1;1-1-1;2-1-8;..1.. |
7fa40 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 32 00 1b 00 00 00 38 | ...1;1-1-1;1-1-8;2-1-2;..2.....8 |
7fa60 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 21 00 00 | ;1-1-1;1-1-2;2-2-1;2-1-9;..3.!.. |
7fa80 | 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 | .2;1-1-1;1-1-8;1-1-9;2-2-1;2-1-8 |
7faa0 | 3b 00 02 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 | ;..4.....9;1-1-2;2-1-1;2-1-8;..5 |
7fac0 | 00 27 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 32 | .'...1;1-1-1;1-1-2;1-1-8;2-1-3;2 |
7fae0 | 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 36 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 | -1-8;2-1-9;..6.!...8;1-1-1;1-1-3 |
7fb00 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 1b 00 00 00 33 3b 31 2d 32 | ;2-1-1;2-1-2;2-2-3;..7.....3;1-2 |
7fb20 | 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 | -3;1-1-8;2-1-1;2-2-3;..8.....3;1 |
7fb40 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 | -2-3;2-2-3;2-1-8;..9.....3;1-2-3 |
7fb60 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | ;2-2-3;2-1-8;..10.....3;1-2-3;1- |
7fb80 | 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 1-8;2-3-3;..11.....3;1-2-3;2-2-3 |
7fba0 | 3b 32 2d 31 2d 38 3b 00 02 31 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | ;2-1-8;..12.....3;1-2-3;2-2-3;2- |
7fbc0 | 31 2d 38 3b 00 02 31 33 00 16 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 | 1-8;..13.....8;1-2-3;2-3-3;2-1-1 |
7fbe0 | 31 3b 00 02 31 34 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 31 3b | 1;..14.#...3;1-1-3;1-1-8;1-1-11; |
7fc00 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 35 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d | 2-2-3;2-1-11;..15.#...3;1-1-3;1- |
7fc20 | 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 31 36 00 10 00 00 | 1-11;2-1-3;2-1-8;2-1-11;..16.... |
7fc40 | 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 37 00 1d 00 00 00 33 3b 31 2d 32 2d 33 | .11;1-2-3;2-3-3;..17.....3;1-2-3 |
7fc60 | 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 38 00 1d 00 00 00 33 3b | ;1-1-11;2-3-3;2-1-11;..18.....3; |
7fc80 | 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 39 00 16 | 1-2-3;1-1-11;2-3-3;2-1-11;..19.. |
7fca0 | 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 30 00 16 00 00 | ...11;1-2-3;2-3-3;2-1-8;..20.... |
7fcc0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 31 00 16 00 00 00 33 | .3;1-2-3;2-2-3;2-1-11;..21.....3 |
7fce0 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 32 32 00 16 00 00 00 33 3b 31 | ;1-2-3;2-2-3;2-1-15;..22.....3;1 |
7fd00 | 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 32 33 00 1d 00 00 00 33 3b 31 2d 32 | -2-3;1-1-15;2-2-3;..23.....3;1-2 |
7fd20 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 35 3b 00 02 32 34 00 10 00 00 00 | -3;2-2-3;2-1-11;2-1-15;..24..... |
7fd40 | 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 35 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b | 15;1-1-3;2-2-3;..25.....1;1-1-1; |
7fd60 | 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 2d 00 00 00 43 43 4f 43 28 | 2-1-2;2-1-8;....smiles.-...CCOC( |
7fd80 | 3d 4f 29 43 28 4f 63 31 63 63 63 28 63 63 31 29 4f 63 31 63 6e 63 32 63 28 6e 31 29 63 63 63 28 | =O)C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc( |
7fda0 | 63 32 29 43 6c 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 08 88 7d 46 50 01 00 00 09 63 72 65 | c2)Cl)C..updated_at...}FP....cre |
7fdc0 | 61 74 65 64 5f 61 74 00 2a 79 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at.*y}FP....default_fingerp |
7fde0 | 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 76 00 00 00 49 6e 43 68 49 3d 31 | rint_size......inchi.v...InChI=1 |
7fe00 | 53 2f 43 31 39 48 31 37 43 6c 4e 32 4f 34 2f 63 31 2d 33 2d 32 34 2d 31 39 28 32 33 29 31 32 28 | S/C19H17ClN2O4/c1-3-24-19(23)12( |
7fe20 | 32 29 32 35 2d 31 34 2d 35 2d 37 2d 31 35 28 38 2d 36 2d 31 34 29 32 36 2d 31 38 2d 31 31 2d 32 | 2)25-14-5-7-15(8-6-14)26-18-11-2 |
7fe40 | 31 2d 31 37 2d 31 30 2d 31 33 28 32 30 29 34 2d 39 2d 31 36 28 31 37 29 32 32 2d 31 38 2f 68 34 | 1-17-10-13(20)4-9-16(17)22-18/h4 |
7fe60 | 2d 31 32 48 2c 33 48 32 2c 31 2d 32 48 33 00 00 03 03 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed | -12H,3H2,1-2H3......._id.V.$7+r. |
7fe80 | 30 fb 00 00 28 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | 0...(.warnings.......fingerprint |
7fea0 | 73 00 03 02 00 00 04 4d 50 32 44 00 f8 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 | s......MP2D......0.....1;1-1-8;2 |
7fec0 | 2d 31 2d 32 3b 00 02 31 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 | -1-2;..1.....8;1-1-1;1-1-2;2-1-9 |
7fee0 | 3b 32 2d 31 2d 32 38 3b 00 02 32 00 23 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d | ;2-1-28;..2.#...2;1-1-8;1-1-9;1- |
7ff00 | 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 30 3b 00 02 33 00 16 00 00 00 39 3b 31 2d 31 2d | 1-28;2-1-1;2-1-30;..3.....9;1-1- |
7ff20 | 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 34 00 23 00 00 00 32 38 3b 31 2d 31 2d 32 3b | 2;2-1-8;2-1-28;..4.#...28;1-1-2; |
7ff40 | 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 33 2d 39 3b 00 02 35 00 23 00 00 | 1-1-30;2-1-3;2-1-8;2-3-9;..5.#.. |
7ff60 | 00 33 30 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 | .30;1-1-3;1-2-9;1-1-28;2-1-2;2-2 |
7ff80 | 2d 33 3b 00 02 36 00 1d 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b | -3;..6.....9;1-1-30;2-1-3;2-1-9; |
7ffa0 | 32 2d 31 2d 32 38 3b 00 02 37 00 1d 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d | 2-1-28;..7.....9;1-1-30;2-1-3;2- |
7ffc0 | 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 38 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 33 | 1-9;2-1-28;..8.#...3;1-2-3;1-1-3 |
7ffe0 | 30 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 39 00 16 00 00 00 33 3b 31 | 0;2-2-3;2-2-9;2-1-28;..9.....3;1 |
80000 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 | -2-3;2-2-3;2-1-30;..10.....3;1-2 |
80020 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 | -3;2-2-3;2-1-19;..11.....3;1-2-3 |
80040 | 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 31 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | ;1-1-19;2-2-3;..12.....3;1-2-3;2 |
80060 | 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | -2-3;2-1-19;..13.....3;1-2-3;2-2 |
80080 | 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 34 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d | -3;2-1-30;..14.....19;1-1-3;2-2- |
800a0 | 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1d 00 00 00 43 4f 43 28 3d 4f 29 4e 53 28 3d 4f 29 28 3d | 3;....smiles.....COC(=O)NS(=O)(= |
800c0 | 4f 29 63 31 63 63 63 28 63 63 31 29 4e 00 09 75 70 64 61 74 65 64 5f 61 74 00 0b 88 7d 46 50 01 | O)c1ccc(cc1)N..updated_at...}FP. |
800e0 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 30 79 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at.0y}FP....default_f |
80100 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 53 00 00 00 49 | ingerprint_size......inchi.S...I |
80120 | 6e 43 68 49 3d 31 53 2f 43 38 48 31 30 4e 32 4f 34 53 2f 63 31 2d 31 34 2d 38 28 31 31 29 31 30 | nChI=1S/C8H10N2O4S/c1-14-8(11)10 |
80140 | 2d 31 35 28 31 32 2c 31 33 29 37 2d 34 2d 32 2d 36 28 39 29 33 2d 35 2d 37 2f 68 32 2d 35 48 2c | -15(12,13)7-4-2-6(9)3-5-7/h2-5H, |
80160 | 39 48 32 2c 31 48 33 2c 28 48 2c 31 30 2c 31 31 29 00 00 b4 03 00 00 07 5f 69 64 00 56 16 24 37 | 9H2,1H3,(H,10,11)......._id.V.$7 |
80180 | 2b 72 ed 30 fb 00 00 29 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.0...).warnings.......fingerpr |
801a0 | 69 6e 74 73 00 a7 02 00 00 04 4d 50 32 44 00 9c 02 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d | ints......MP2D......0.....1;1-1- |
801c0 | 38 3b 32 2d 31 2d 31 32 3b 00 02 31 00 24 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b | 8;2-1-12;..1.$...8;1-1-1;1-1-12; |
801e0 | 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 32 00 1e 00 00 00 31 32 3b 31 | 2-1-8;2-1-10;2-1-18;..2.....12;1 |
80200 | 2d 32 2d 38 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 31 38 3b 32 2d 33 2d 31 3b 00 02 33 00 18 00 00 | -2-8;1-1-10;1-1-18;2-3-1;..3.... |
80220 | 00 31 38 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 30 3b 00 02 34 00 25 00 00 00 | .18;1-1-12;2-2-8;2-1-10;..4.%... |
80240 | 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 31 3b 32 2d 31 | 10;1-1-1;1-1-12;2-2-8;2-1-11;2-1 |
80260 | 2d 31 38 3b 00 02 35 00 25 00 00 00 31 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d | -18;..5.%...1;1-1-10;1-1-11;2-1- |
80280 | 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 32 3b 00 02 36 00 31 00 00 00 31 31 3b 31 2d 31 2d 31 | 3;2-1-11;2-1-12;..6.1...11;1-1-1 |
802a0 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 30 | ;1-1-3;1-1-11;2-1-3;2-1-9;2-1-10 |
802c0 | 3b 32 2d 31 2d 31 31 3b 00 02 37 00 17 00 00 00 31 31 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b | ;2-1-11;..7.....11;1-2-11;2-1-1; |
802e0 | 32 2d 32 2d 33 3b 00 02 38 00 1e 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d | 2-2-3;..8.....11;1-1-3;1-1-11;2- |
80300 | 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 39 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | 2-3;2-1-11;..9.....3;1-2-3;1-1-1 |
80320 | 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 2d 33 2d 33 3b | 1;2-3-3;2-1-11;..10.....3;1-3-3; |
80340 | 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 31 3b 00 02 31 31 00 29 00 00 00 33 3b 31 2d | 2-2-3;2-1-9;2-2-11;..11.)...3;1- |
80360 | 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 | 1-3;1-1-9;1-1-11;2-1-1;2-2-3;2-1 |
80380 | 2d 31 31 3b 00 02 31 32 00 16 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 | -11;..12.....9;1-1-3;2-1-3;2-1-1 |
803a0 | 31 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 34 00 0f 00 | 1;..13.....3;1-2-3;2-3-3;..14... |
803c0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | ..3;1-2-3;2-2-3;..15.....3;1-2-3 |
803e0 | 3b 32 2d 32 2d 33 3b 00 02 31 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | ;2-2-3;..16.....3;1-2-3;2-2-3;2- |
80400 | 31 2d 31 31 3b 00 02 31 37 00 24 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 | 1-11;..17.$...8;1-1-1;1-1-12;2-1 |
80420 | 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 31 38 00 10 00 00 00 31 3b 31 2d 31 2d | -8;2-1-10;2-1-18;..18.....1;1-1- |
80440 | 38 3b 32 2d 31 2d 31 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 20 00 00 00 43 4f 50 28 3d 53 29 28 | 8;2-1-12;....smiles.....COP(=S)( |
80460 | 53 43 6e 31 6e 6e 63 32 63 28 63 31 3d 4f 29 63 63 63 63 32 29 4f 43 00 09 75 70 64 61 74 65 64 | SCn1nnc2c(c1=O)cccc2)OC..updated |
80480 | 5f 61 74 00 19 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 36 79 7d 46 50 01 00 00 | _at...}FP....created_at.6y}FP... |
804a0 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 | .default_fingerprint_size......i |
804c0 | 6e 63 68 69 00 5d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 32 4e 33 4f 33 50 53 32 2f | nchi.]...InChI=1S/C10H12N3O3PS2/ |
804e0 | 63 31 2d 31 35 2d 31 37 28 31 38 2c 31 36 2d 32 29 31 39 2d 37 2d 31 33 2d 31 30 28 31 34 29 38 | c1-15-17(18,16-2)19-7-13-10(14)8 |
80500 | 2d 35 2d 33 2d 34 2d 36 2d 39 28 38 29 31 31 2d 31 32 2d 31 33 2f 68 33 2d 36 48 2c 37 48 32 2c | -5-3-4-6-9(8)11-12-13/h3-6H,7H2, |
80520 | 31 2d 32 48 33 00 00 df 02 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 2a 04 77 61 72 | 1-2H3......._id.V.$7+r.0...*.war |
80540 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 e8 01 00 00 04 4d 50 | nings.......fingerprints......MP |
80560 | 32 44 00 dd 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 00 02 31 | 2D......0.....1;1-1-28;2-1-2;..1 |
80580 | 00 1c 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b | .....28;1-1-1;1-1-2;2-1-8;2-1-9; |
805a0 | 00 02 32 00 22 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 | ..2."...2;1-1-8;1-1-9;1-1-28;2-1 |
805c0 | 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 | -1;2-1-3;..3.....9;1-1-2;2-1-8;2 |
805e0 | 2d 31 2d 32 38 3b 00 02 34 00 22 00 00 00 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d | -1-28;..4."...8;1-1-2;1-1-3;2-2- |
80600 | 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 35 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 3;2-1-9;2-1-28;..5.!...3;1-2-3;1 |
80620 | 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 15 00 00 00 33 | -1-8;2-1-2;2-2-3;2-1-8;..6.....3 |
80640 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 | ;1-2-3;2-2-3;2-1-8;..7.....3;1-2 |
80660 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | -3;2-2-3;..8.....3;1-2-3;2-2-3;. |
80680 | 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 30 00 | .9.....3;1-2-3;2-2-3;2-1-8;..10. |
806a0 | 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d | !...3;1-2-3;1-1-8;2-1-1;2-2-3;2- |
806c0 | 31 2d 38 3b 00 02 31 31 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 | 1-8;..11.....8;1-1-1;1-1-3;2-2-1 |
806e0 | 3b 32 2d 32 2d 33 3b 00 02 31 32 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d | ;2-2-3;..12.....1;1-2-1;1-1-8;2- |
80700 | 31 2d 33 3b 00 02 31 33 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 | 1-3;..13.....1;1-1-1;2-1-1;2-1-8 |
80720 | 3b 00 02 31 34 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 | ;..14.....1;1-1-1;2-1-1;2-1-8;.. |
80740 | 00 02 73 6d 69 6c 65 73 00 17 00 00 00 43 4e 43 28 3d 4f 29 4f 63 31 63 63 63 63 63 31 4f 43 28 | ..smiles.....CNC(=O)Oc1ccccc1OC( |
80760 | 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 1b 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 | C)C..updated_at...}FP....created |
80780 | 5f 61 74 00 3c 79 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at.<y}FP....default_fingerprint |
807a0 | 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 50 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 | _size......inchi.P...InChI=1S/C1 |
807c0 | 31 48 31 35 4e 4f 33 2f 63 31 2d 38 28 32 29 31 34 2d 39 2d 36 2d 34 2d 35 2d 37 2d 31 30 28 39 | 1H15NO3/c1-8(2)14-9-6-4-5-7-10(9 |
807e0 | 29 31 35 2d 31 31 28 31 33 29 31 32 2d 33 2f 68 34 2d 38 48 2c 31 2d 33 48 33 2c 28 48 2c 31 32 | )15-11(13)12-3/h4-8H,1-3H3,(H,12 |
80800 | 2c 31 33 29 00 00 c6 03 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 2b 04 77 61 72 6e | ,13)......._id.V.$7+r.0...+.warn |
80820 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b2 02 00 00 04 4d 50 32 | ings.......fingerprints......MP2 |
80840 | 44 00 a7 02 00 00 02 30 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 02 31 00 22 | D......0.....9;1-1-2;2-2-1;..1." |
80860 | 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 | ...2;1-2-1;1-1-9;2-3-1;2-1-8;2-1 |
80880 | 2d 31 31 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b | -11;..2.....1;1-3-1;1-1-2;2-1-1; |
808a0 | 32 2d 31 2d 39 3b 00 02 33 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d | 2-1-9;..3.....1;1-1-1;2-2-1;2-1- |
808c0 | 32 3b 00 02 34 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 | 2;..4.....1;1-1-1;2-2-1;2-1-2;.. |
808e0 | 35 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 36 00 2f 00 | 5.....1;1-1-1;2-2-1;2-1-2;..6./. |
80900 | 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 | ..1;1-1-2;1-1-8;1-1-11;2-1-1;2-2 |
80920 | 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 37 00 30 00 00 00 31 31 3b 31 2d 31 2d 31 | -3;2-1-9;2-1-11;..7.0...11;1-1-1 |
80940 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b | ;1-1-3;1-1-11;2-1-2;2-1-3;2-1-8; |
80960 | 32 2d 31 2d 31 31 3b 00 02 38 00 24 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 | 2-1-11;..8.$...11;1-1-3;1-1-11;2 |
80980 | 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 39 00 17 00 00 00 33 3b 31 2d 32 2d | -1-1;2-1-3;2-1-11;..9.....3;1-2- |
809a0 | 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 11 00 00 00 31 31 3b 31 2d 32 2d | 11;2-1-3;2-1-11;..10.....11;1-2- |
809c0 | 33 3b 32 2d 32 2d 31 31 3b 00 02 31 31 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 | 3;2-2-11;..11.....3;1-2-11;2-1-1 |
809e0 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 32 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 | ;2-1-3;2-1-11;..12."...8;1-1-1;1 |
80a00 | 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 33 00 1b 00 00 | -1-3;2-1-2;2-2-3;2-1-11;..13.... |
80a20 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 34 00 | .3;1-2-3;1-1-8;2-1-1;2-2-3;..14. |
80a40 | 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 35 00 16 00 00 | ....3;1-2-3;2-2-3;2-1-8;..15.... |
80a60 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 36 00 16 00 00 00 33 | .3;1-2-3;2-2-3;2-1-15;..16.....3 |
80a80 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 31 37 00 16 00 00 00 33 3b 31 | ;1-2-3;1-1-15;2-2-3;..17.....3;1 |
80aa0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 38 00 15 00 00 00 33 3b 31 2d 32 | -2-3;2-2-3;2-1-15;..18.....3;1-2 |
80ac0 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 39 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 | -3;2-2-3;2-1-8;..19.....15;1-1-3 |
80ae0 | 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 25 00 00 00 4f 3d 43 28 43 28 43 29 28 43 | ;2-2-3;....smiles.%...O=C(C(C)(C |
80b00 | 29 43 29 43 28 6e 31 6e 63 6e 63 31 29 4f 63 31 63 63 63 28 63 63 31 29 43 6c 00 09 75 70 64 61 | )C)C(n1ncnc1)Oc1ccc(cc1)Cl..upda |
80b20 | 74 65 64 5f 61 74 00 dc 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 43 79 7d 46 50 | ted_at...}FP....created_at.Cy}FP |
80b40 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
80b60 | 00 02 69 6e 63 68 69 00 5f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 36 43 6c 4e 33 4f | ..inchi._...InChI=1S/C14H16ClN3O |
80b80 | 32 2f 63 31 2d 31 34 28 32 2c 33 29 31 32 28 31 39 29 31 33 28 31 38 2d 39 2d 31 36 2d 38 2d 31 | 2/c1-14(2,3)12(19)13(18-9-16-8-1 |
80ba0 | 37 2d 31 38 29 32 30 2d 31 31 2d 36 2d 34 2d 31 30 28 31 35 29 35 2d 37 2d 31 31 2f 68 34 2d 39 | 7-18)20-11-6-4-10(15)5-7-11/h4-9 |
80bc0 | 2c 31 33 48 2c 31 2d 33 48 33 00 00 26 08 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 | ,13H,1-3H3..&...._id.V.$7+r.0... |
80be0 | 2c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 50 06 | ,.warnings.......fingerprints.P. |
80c00 | 00 00 04 4d 50 32 44 00 45 06 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 36 | ...MP2D.E....0.....1;1-1-1;2-1-6 |
80c20 | 3b 00 02 31 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 | ;..1.....1;1-1-1;1-1-6;2-1-1;2-1 |
80c40 | 2d 32 3b 00 02 32 00 21 00 00 00 36 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 | -2;..2.!...6;1-2-1;1-1-2;2-1-1;2 |
80c60 | 2d 32 2d 32 3b 32 2d 31 2d 33 3b 00 02 33 00 1b 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 36 | -2-2;2-1-3;..3.....2;1-2-2;1-1-6 |
80c80 | 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 34 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 32 | ;2-2-1;2-2-2;..4.....2;1-2-2;2-2 |
80ca0 | 2d 32 3b 32 2d 31 2d 36 3b 00 02 35 00 0f 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 33 2d 32 3b 00 | -2;2-1-6;..5.....2;1-2-2;2-3-2;. |
80cc0 | 02 36 00 15 00 00 00 32 3b 31 2d 33 2d 32 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 1b | .6.....2;1-3-2;2-2-2;2-2-3;..7.. |
80ce0 | 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 32 3b 32 2d 34 2d 33 3b 00 02 38 | ...2;1-1-2;1-2-3;2-2-2;2-4-3;..8 |
80d00 | 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 | .....3;1-1-2;1-2-3;2-1-2;2-3-3;. |
80d20 | 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 30 00 | .9.....3;1-2-3;2-1-2;2-2-3;..10. |
80d40 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 1c 00 | ....3;1-2-3;2-2-3;2-1-19;..11... |
80d60 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 | ..3;1-2-3;1-1-19;2-2-1;2-2-3;..1 |
80d80 | 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 | 2.....3;1-2-3;2-2-3;2-1-19;..13. |
80da0 | 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 34 00 1c 00 00 | ....3;1-2-3;2-1-2;2-2-3;..14.... |
80dc0 | 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 31 35 | .19;1-2-1;1-1-3;2-1-1;2-3-3;..15 |
80de0 | 00 1c 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b | .....1;1-1-3;1-1-19;2-1-1;2-3-3; |
80e00 | 00 02 31 36 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | ..16.....3;1-1-1;1-2-3;2-2-3;2-1 |
80e20 | 2d 31 39 3b 00 02 31 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | -19;..17.....3;1-2-3;2-1-1;2-2-3 |
80e40 | 3b 00 02 31 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 39 00 16 00 00 | ;..18.....3;1-2-3;2-2-3;..19.... |
80e60 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 32 30 00 22 00 00 00 33 | .3;1-2-3;2-2-3;2-1-10;..20."...3 |
80e80 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b | ;1-2-3;1-1-10;2-2-3;2-1-8;2-2-9; |
80ea0 | 00 02 32 31 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 | ..21.....3;1-2-3;2-1-1;2-2-3;2-1 |
80ec0 | 2d 31 30 3b 00 02 32 32 00 1c 00 00 00 31 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d | -10;..22.....10;1-1-3;1-1-8;1-2- |
80ee0 | 39 3b 32 2d 32 2d 33 3b 00 02 32 33 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b | 9;2-2-3;..23.....9;1-1-10;2-1-3; |
80f00 | 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 34 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d | 2-1-8;2-1-9;..24.....9;1-1-10;2- |
80f20 | 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 35 00 16 00 00 00 38 3b 31 2d 31 2d 31 | 1-3;2-1-8;2-1-9;..25.....8;1-1-1 |
80f40 | 30 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 02 32 36 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | 0;2-1-3;2-2-9;..26.....1;1-1-1;1 |
80f60 | 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 37 00 10 00 00 00 31 3b 31 2d 31 | -1-19;2-1-1;2-1-3;..27.....1;1-1 |
80f80 | 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 32 38 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 | -1;2-1-19;..28.....3;1-1-2;1-2-3 |
80fa0 | 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 02 32 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-1-2;2-3-3;..29.....3;1-2-3;2- |
80fc0 | 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 33 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 1-2;2-2-3;..30.....3;1-2-3;2-2-3 |
80fe0 | 3b 32 2d 31 2d 31 39 3b 00 02 33 31 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b | ;2-1-19;..31.....3;1-2-3;1-1-19; |
81000 | 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 2-2-1;2-2-3;..32.....3;1-2-3;2-2 |
81020 | 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 | -3;2-1-19;..33.....3;1-2-3;2-1-2 |
81040 | 3b 32 2d 32 2d 33 3b 00 02 33 34 00 16 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 | ;2-2-3;..34.....19;1-2-1;1-1-3;2 |
81060 | 2d 32 2d 33 3b 00 02 33 35 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 | -2-3;..35.....1;1-1-19;2-1-1;2-1 |
81080 | 2d 33 3b 00 02 33 36 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 | -3;..36.....1;1-1-19;2-1-1;2-1-3 |
810a0 | 3b 00 02 33 37 00 0f 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 33 2d 32 3b 00 02 33 38 00 15 00 00 | ;..37.....2;1-2-2;2-3-2;..38.... |
810c0 | 00 32 3b 31 2d 32 2d 32 3b 32 2d 32 2d 32 3b 32 2d 31 2d 36 3b 00 02 33 39 00 21 00 00 00 31 3b | .2;1-2-2;2-2-2;2-1-6;..39.!...1; |
810e0 | 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 | 1-1-3;1-1-6;2-1-1;2-1-2;2-2-3;.. |
81100 | 34 30 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 | 40.....3;1-1-1;1-2-3;2-2-3;2-1-6 |
81120 | 3b 00 02 34 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 | ;..41.....3;1-2-3;2-1-1;2-2-3;.. |
81140 | 34 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 34 33 00 16 00 00 00 33 3b | 42.....3;1-2-3;2-2-3;..43.....3; |
81160 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 34 34 00 22 00 00 00 33 3b 31 2d | 1-2-3;2-2-3;2-1-10;..44."...3;1- |
81180 | 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 34 | 2-3;1-1-10;2-2-3;2-1-8;2-2-9;..4 |
811a0 | 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 | 5.....3;1-2-3;2-1-1;2-2-3;2-1-10 |
811c0 | 3b 00 02 34 36 00 1c 00 00 00 31 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 | ;..46.....10;1-1-3;1-1-8;1-2-9;2 |
811e0 | 2d 32 2d 33 3b 00 02 34 37 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 | -2-3;..47.....9;1-1-10;2-1-3;2-1 |
81200 | 2d 38 3b 32 2d 31 2d 39 3b 00 02 34 38 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 | -8;2-1-9;..48.....9;1-1-10;2-1-3 |
81220 | 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 34 39 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 | ;2-1-8;2-1-9;..49.....8;1-1-10;2 |
81240 | 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 61 00 00 00 43 43 5b 4e 5d 28 | -1-3;2-2-9;....smiles.a...CC[N]( |
81260 | 3d 43 31 43 3d 43 43 28 3d 43 28 63 32 63 63 63 28 63 63 32 29 4e 28 43 63 32 63 63 63 63 28 63 | =C1C=CC(=C(c2ccc(cc2)N(Cc2cccc(c |
81280 | 32 29 53 28 3d 4f 29 28 3d 4f 29 4f 29 43 43 29 63 32 63 63 63 28 63 63 32 29 4e 28 43 29 43 29 | 2)S(=O)(=O)O)CC)c2ccc(cc2)N(C)C) |
812a0 | 43 3d 43 31 29 43 63 31 63 63 63 63 28 63 31 29 53 28 3d 4f 29 28 3d 4f 29 4f 00 09 75 70 64 61 | C=C1)Cc1cccc(c1)S(=O)(=O)O..upda |
812c0 | 74 65 64 5f 61 74 00 22 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 4d 79 7d 46 50 | ted_at.".}FP....created_at.My}FP |
812e0 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
81300 | 00 02 69 6e 63 68 69 00 e5 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 39 48 34 32 4e 33 4f 36 53 | ..inchi.....InChI=1S/C39H42N3O6S |
81320 | 32 2f 63 31 2d 35 2d 34 31 28 32 37 2d 32 39 2d 39 2d 37 2d 31 31 2d 33 37 28 32 35 2d 32 39 29 | 2/c1-5-41(27-29-9-7-11-37(25-29) |
81340 | 34 39 28 34 33 2c 34 34 29 34 35 29 33 35 2d 32 31 2d 31 35 2d 33 32 28 31 36 2d 32 32 2d 33 35 | 49(43,44)45)35-21-15-32(16-22-35 |
81360 | 29 33 39 28 33 31 2d 31 33 2d 31 39 2d 33 34 28 32 30 2d 31 34 2d 33 31 29 34 30 28 33 29 34 29 | )39(31-13-19-34(20-14-31)40(3)4) |
81380 | 33 33 2d 31 37 2d 32 33 2d 33 36 28 32 34 2d 31 38 2d 33 33 29 34 32 28 36 2d 32 29 32 38 2d 33 | 33-17-23-36(24-18-33)42(6-2)28-3 |
813a0 | 30 2d 31 30 2d 38 2d 31 32 2d 33 38 28 32 36 2d 33 30 29 35 30 28 34 36 2c 34 37 29 34 38 2f 68 | 0-10-8-12-38(26-30)50(46,47)48/h |
813c0 | 37 2d 32 36 48 2c 35 2d 36 2c 32 37 2d 32 38 48 32 2c 31 2d 34 48 33 2c 28 48 2c 34 33 2c 34 34 | 7-26H,5-6,27-28H2,1-4H3,(H,43,44 |
813e0 | 2c 34 35 29 28 48 2c 34 36 2c 34 37 2c 34 38 29 00 00 f5 01 00 00 07 5f 69 64 00 56 16 24 37 2b | ,45)(H,46,47,48)......._id.V.$7+ |
81400 | 72 ed 30 fb 00 00 2d 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.0...-.warnings.......fingerpri |
81420 | 6e 74 73 00 1a 01 00 00 04 4d 50 32 44 00 0f 01 00 00 02 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | nts......MP2D......0.....3;1-2-3 |
81440 | 3b 32 2d 32 2d 33 3b 00 02 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 | ;2-2-3;..1.....3;1-2-3;2-2-3;..2 |
81460 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d 33 | .....3;1-2-3;2-3-3;..3.....3;1-3 |
81480 | 2d 33 3b 32 2d 34 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 | -3;2-4-3;..4.....3;1-2-3;2-3-3;. |
814a0 | 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 | .5.....3;1-2-3;2-2-3;..6.....3;1 |
814c0 | 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 | -3-3;2-4-3;..7.....3;1-2-3;2-3-3 |
814e0 | 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 33 | ;..8.....3;1-2-3;2-2-3;..9.....3 |
81500 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;1-2-3;2-2-3;..10.....3;1-2-3;2- |
81520 | 32 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 00 00 02 73 | 2-3;..11.....3;1-2-3;2-3-3;....s |
81540 | 6d 69 6c 65 73 00 13 00 00 00 63 31 63 63 63 28 63 63 31 29 63 31 63 63 63 63 63 31 00 09 75 70 | miles.....c1ccc(cc1)c1ccccc1..up |
81560 | 64 61 74 65 64 5f 61 74 00 24 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 53 79 7d | dated_at.$.}FP....created_at.Sy} |
81580 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
815a0 | 00 00 00 02 69 6e 63 68 69 00 38 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 30 2f 63 31 | ....inchi.8...InChI=1S/C12H10/c1 |
815c0 | 2d 33 2d 37 2d 31 31 28 38 2d 34 2d 31 29 31 32 2d 39 2d 35 2d 32 2d 36 2d 31 30 2d 31 32 2f 68 | -3-7-11(8-4-1)12-9-5-2-6-10-12/h |
815e0 | 31 2d 31 30 48 00 00 aa 02 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 2e 04 77 61 72 | 1-10H......._id.V.$7+r.0.....war |
81600 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b2 01 00 00 04 4d 50 | nings.......fingerprints......MP |
81620 | 32 44 00 a7 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 00 02 31 | 2D......0.....1;1-1-28;2-1-2;..1 |
81640 | 00 1c 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b | .....28;1-1-1;1-1-2;2-1-8;2-1-9; |
81660 | 00 02 32 00 22 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 | ..2."...2;1-1-8;1-1-9;1-1-28;2-1 |
81680 | 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 | -1;2-1-3;..3.....9;1-1-2;2-1-8;2 |
816a0 | 2d 31 2d 32 38 3b 00 02 34 00 22 00 00 00 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d | -1-28;..4."...8;1-1-2;1-1-3;2-2- |
816c0 | 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 35 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 3;2-1-9;2-1-28;..5.....3;1-2-3;1 |
816e0 | 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 | -1-8;2-1-2;2-3-3;..6.....3;1-2-3 |
81700 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | ;2-2-3;2-1-8;..7.....3;1-2-3;2-2 |
81720 | 2d 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 39 00 0f 00 00 | -3;..8.....3;1-2-3;2-3-3;..9.... |
81740 | 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b | .3;1-3-3;2-4-3;..10.....3;1-3-3; |
81760 | 32 2d 34 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 | 2-4-3;2-1-8;..11.....3;1-2-3;2-3 |
81780 | 2d 33 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f | -3;..12.....3;1-2-3;2-2-3;..13.. |
817a0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d | ...3;1-2-3;2-2-3;..14.....3;1-2- |
817c0 | 33 3b 32 2d 33 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 17 00 00 00 43 4e 43 28 3d 4f 29 4f 63 | 3;2-3-3;....smiles.....CNC(=O)Oc |
817e0 | 31 63 63 63 63 32 63 31 63 63 63 63 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 2c 8c 7d 46 50 01 | 1cccc2c1cccc2..updated_at.,.}FP. |
81800 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 5f 79 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at._y}FP....default_f |
81820 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 51 00 00 00 49 | ingerprint_size......inchi.Q...I |
81840 | 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 31 4e 4f 32 2f 63 31 2d 31 33 2d 31 32 28 31 34 29 31 35 | nChI=1S/C12H11NO2/c1-13-12(14)15 |
81860 | 2d 31 31 2d 38 2d 34 2d 36 2d 39 2d 35 2d 32 2d 33 2d 37 2d 31 30 28 39 29 31 31 2f 68 32 2d 38 | -11-8-4-6-9-5-2-3-7-10(9)11/h2-8 |
81880 | 48 2c 31 48 33 2c 28 48 2c 31 33 2c 31 34 29 00 00 31 03 00 00 07 5f 69 64 00 56 16 24 37 2b 72 | H,1H3,(H,13,14)..1...._id.V.$7+r |
818a0 | ed 30 fb 00 00 2f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .0.../.warnings.......fingerprin |
818c0 | 74 73 00 2b 02 00 00 04 4d 50 32 44 00 20 02 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b | ts.+....MP2D......0.....9;1-1-2; |
818e0 | 32 2d 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 02 31 00 29 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 | 2-1-2;2-1-28;..1.)...2;1-1-2;1-1 |
81900 | 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 32 | -9;1-1-28;2-1-2;2-1-3;2-1-10;..2 |
81920 | 00 23 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 31 3b 32 2d 32 2d 39 3b | .#...2;1-2-2;1-1-10;2-2-1;2-2-9; |
81940 | 32 2d 31 2d 32 38 3b 00 02 33 00 28 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 | 2-1-28;..3.(...2;1-1-1;1-1-2;1-1 |
81960 | 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 30 3b 00 02 34 00 15 00 00 00 31 3b | -9;2-1-1;2-1-2;2-1-10;..4.....1; |
81980 | 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 35 00 1b 00 00 00 39 3b 31 2d 31 2d | 1-1-2;2-1-2;2-1-9;..5.....9;1-1- |
819a0 | 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 36 00 1c 00 00 00 31 3b 31 2d | 1;1-1-2;2-2-1;2-1-2;..6.....1;1- |
819c0 | 31 2d 31 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 30 3b 00 02 37 00 1c 00 00 00 31 | 1-1;1-1-9;2-1-2;2-1-10;..7.....1 |
819e0 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 38 00 1c 00 | ;1-1-1;1-1-10;2-1-2;2-1-9;..8... |
81a00 | 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 39 | ..10;1-1-1;1-1-2;2-1-1;2-2-2;..9 |
81a20 | 00 22 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b | ."...28;1-1-2;1-1-3;2-1-2;2-2-3; |
81a40 | 32 2d 31 2d 39 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d | 2-1-9;..10.....3;1-2-3;1-1-28;2- |
81a60 | 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 1-2;2-2-3;..11.....3;1-2-3;2-2-3 |
81a80 | 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | ;2-1-28;..12.....3;1-2-3;2-2-3;. |
81aa0 | 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f 00 00 00 33 | .13.....3;1-2-3;2-2-3;..14.....3 |
81ac0 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;1-2-3;2-2-3;..15.....3;1-2-3;2- |
81ae0 | 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 1b 00 00 00 4f 3d 43 28 43 31 | 2-3;2-1-28;....smiles.....O=C(C1 |
81b00 | 3d 43 28 43 29 4f 43 43 53 31 29 4e 63 31 63 63 63 63 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 | =C(C)OCCS1)Nc1ccccc1..updated_at |
81b20 | 00 29 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 65 79 7d 46 50 01 00 00 10 64 65 | .).}FP....created_at.ey}FP....de |
81b40 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 | fault_fingerprint_size......inch |
81b60 | 69 00 5b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 33 4e 4f 32 53 2f 63 31 2d 39 2d 31 | i.[...InChI=1S/C12H13NO2S/c1-9-1 |
81b80 | 31 28 31 36 2d 38 2d 37 2d 31 35 2d 39 29 31 32 28 31 34 29 31 33 2d 31 30 2d 35 2d 33 2d 32 2d | 1(16-8-7-15-9)12(14)13-10-5-3-2- |
81ba0 | 34 2d 36 2d 31 30 2f 68 32 2d 36 48 2c 37 2d 38 48 32 2c 31 48 33 2c 28 48 2c 31 33 2c 31 34 29 | 4-6-10/h2-6H,7-8H2,1H3,(H,13,14) |
81bc0 | 00 00 63 01 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 30 04 77 61 72 6e 69 6e 67 73 | ..c...._id.V.$7+r.0...0.warnings |
81be0 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 9f 00 00 00 04 4d 50 32 44 00 94 00 | .......fingerprints......MP2D... |
81c00 | 00 00 02 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 | ...0.....32;1-1-2;2-1-1;2-1-32;. |
81c20 | 02 31 00 17 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d 31 35 3b 00 02 32 | .1.....2;1-1-1;1-2-32;2-1-15;..2 |
81c40 | 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 33 00 17 | .....32;1-1-2;2-1-1;2-1-32;..3.. |
81c60 | 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 32 3b 00 02 34 00 10 00 00 | ...1;1-1-2;1-1-15;2-2-32;..4.... |
81c80 | 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 0a 00 00 00 4f | .15;1-1-1;2-1-2;....smiles.....O |
81ca0 | 43 28 3d 4f 29 43 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 2b 88 7d 46 50 01 00 00 09 63 72 | C(=O)CCl..updated_at.+.}FP....cr |
81cc0 | 65 61 74 65 64 5f 61 74 00 72 79 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at.ry}FP....default_finger |
81ce0 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 2a 00 00 00 49 6e 43 68 49 3d | print_size......inchi.*...InChI= |
81d00 | 31 53 2f 43 32 48 33 43 6c 4f 32 2f 63 33 2d 31 2d 32 28 34 29 35 2f 68 31 48 32 2c 28 48 2c 34 | 1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4 |
81d20 | 2c 35 29 00 00 e1 03 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 31 04 77 61 72 6e 69 | ,5)......._id.V.$7+r.0...1.warni |
81d40 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c2 02 00 00 04 4d 50 32 44 | ngs.......fingerprints......MP2D |
81d60 | 00 b7 02 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b | ......0.....1;1-1-1;2-1-1;2-1-8; |
81d80 | 00 02 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 32 00 | ..1.....1;1-2-1;1-1-8;2-1-2;..2. |
81da0 | 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b 00 02 | ....8;1-1-1;1-1-2;2-3-1;2-1-9;.. |
81dc0 | 33 00 27 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b | 3.'...2;1-1-1;1-1-8;1-1-9;2-1-1; |
81de0 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d | 2-2-3;2-1-8;..4.....9;1-1-2;2-1- |
81e00 | 31 3b 32 2d 31 2d 38 3b 00 02 35 00 27 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 31 2d | 1;2-1-8;..5.'...1;1-1-2;1-2-3;1- |
81e20 | 31 2d 38 3b 32 2d 34 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 36 00 21 00 00 00 33 3b | 1-8;2-4-3;2-1-8;2-1-9;..6.!...3; |
81e40 | 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 00 02 | 1-1-1;1-2-3;2-1-2;2-3-3;2-1-8;.. |
81e60 | 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 00 16 00 | 7.....3;1-2-3;2-1-1;2-2-3;..8... |
81e80 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 39 00 16 00 00 00 33 | ..3;1-2-3;2-2-3;2-1-15;..9.....3 |
81ea0 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 31 30 00 16 00 00 00 33 3b 31 | ;1-2-3;1-1-15;2-2-3;..10.....3;1 |
81ec0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 | -2-3;2-2-3;2-1-15;..11.....3;1-2 |
81ee0 | 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 32 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 | -3;2-1-1;2-2-3;..12.....15;1-1-3 |
81f00 | 3b 32 2d 32 2d 33 3b 00 02 31 33 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-3;..13.!...3;1-1-1;1-2-3;2- |
81f20 | 31 2d 32 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 | 1-2;2-3-3;2-1-8;..14.....3;1-2-3 |
81f40 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-1-1;2-2-3;..15.....3;1-2-3;2- |
81f60 | 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 2-3;2-1-15;..16.....3;1-2-3;1-1- |
81f80 | 31 35 3b 32 2d 32 2d 33 3b 00 02 31 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | 15;2-2-3;..17.....3;1-2-3;2-2-3; |
81fa0 | 32 2d 31 2d 31 35 3b 00 02 31 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | 2-1-15;..18.....3;1-2-3;2-1-1;2- |
81fc0 | 32 2d 33 3b 00 02 31 39 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 30 | 2-3;..19.....15;1-1-3;2-2-3;..20 |
81fe0 | 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 31 00 15 00 | .....8;1-1-1;2-1-2;2-2-3;..21... |
82000 | 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 | ..1;1-1-1;2-1-1;2-1-8;....smiles |
82020 | 00 2a 00 00 00 43 43 28 4f 43 28 3d 4f 29 43 28 63 31 63 63 63 28 63 63 31 29 43 6c 29 28 63 31 | .*...CC(OC(=O)C(c1ccc(cc1)Cl)(c1 |
82040 | 63 63 63 28 63 63 31 29 43 6c 29 4f 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 2d 88 7d 46 50 | ccc(cc1)Cl)O)C..updated_at.-.}FP |
82060 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 7d 79 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.}y}FP....default_ |
82080 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 65 00 00 00 | fingerprint_size......inchi.e... |
820a0 | 49 6e 43 68 49 3d 31 53 2f 43 31 37 48 31 36 43 6c 32 4f 33 2f 63 31 2d 31 31 28 32 29 32 32 2d | InChI=1S/C17H16Cl2O3/c1-11(2)22- |
820c0 | 31 36 28 32 30 29 31 37 28 32 31 2c 31 32 2d 33 2d 37 2d 31 34 28 31 38 29 38 2d 34 2d 31 32 29 | 16(20)17(21,12-3-7-14(18)8-4-12) |
820e0 | 31 33 2d 35 2d 39 2d 31 35 28 31 39 29 31 30 2d 36 2d 31 33 2f 68 33 2d 31 31 2c 32 31 48 2c 31 | 13-5-9-15(19)10-6-13/h3-11,21H,1 |
82100 | 2d 32 48 33 00 00 43 04 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 32 04 77 61 72 6e | -2H3..C...._id.V.$7+r.0...2.warn |
82120 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 0e 03 00 00 04 4d 50 32 | ings.......fingerprints......MP2 |
82140 | 44 00 03 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 16 | D......0.....1;1-1-8;2-1-3;..1.. |
82160 | 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 32 00 1c 00 00 00 | ...8;1-1-1;1-1-3;2-2-11;..2..... |
82180 | 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 1e | 3;1-1-8;1-2-11;2-1-1;2-2-3;..3.. |
821a0 | 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 32 38 3b | ...11;1-2-3;2-1-8;2-2-11;2-1-28; |
821c0 | 00 02 34 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d | ..4.....3;1-2-11;1-1-28;2-1-2;2- |
821e0 | 32 2d 33 3b 00 02 35 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 | 2-3;..5.....11;1-2-3;2-1-1;2-2-1 |
82200 | 31 3b 32 2d 31 2d 32 38 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 31 31 3b | 1;2-1-28;..6.....3;1-1-1;1-2-11; |
82220 | 32 2d 32 2d 33 3b 00 02 37 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 | 2-2-3;..7.....11;1-2-3;2-1-1;2-1 |
82240 | 2d 38 3b 32 2d 32 2d 31 31 3b 00 02 38 00 10 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 | -8;2-2-11;..8.....1;1-1-3;2-2-11 |
82260 | 3b 00 02 39 00 24 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d | ;..9.$...28;1-1-2;1-1-3;2-1-9;2- |
82280 | 32 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 1d 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 32 | 2-11;2-1-28;..10.....2;1-1-9;1-2 |
822a0 | 2d 32 38 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 31 00 10 00 00 00 39 3b 31 2d 31 2d | -28;2-1-3;2-1-30;..11.....9;1-1- |
822c0 | 32 3b 32 2d 32 2d 32 38 3b 00 02 31 32 00 24 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 | 2;2-2-28;..12.$...28;1-1-2;1-1-3 |
822e0 | 30 3b 32 2d 31 2d 33 3b 32 2d 33 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 23 00 00 00 33 30 | 0;2-1-3;2-3-9;2-1-28;..13.#...30 |
82300 | 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b | ;1-1-3;1-2-9;1-1-28;2-1-2;2-2-3; |
82320 | 00 02 31 34 00 1d 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d | ..14.....9;1-1-30;2-1-3;2-1-9;2- |
82340 | 31 2d 32 38 3b 00 02 31 35 00 1d 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 31 | 1-28;..15.....9;1-1-30;2-1-3;2-1 |
82360 | 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 36 00 2a 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 33 | -9;2-1-28;..16.*...3;1-2-3;1-1-3 |
82380 | 30 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 02 31 37 | 0;2-2-3;2-2-9;2-1-15;2-1-28;..17 |
823a0 | 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 38 00 0f | .....3;1-2-3;2-2-3;2-1-30;..18.. |
823c0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 39 00 0f 00 00 00 33 3b 31 2d 32 2d | ...3;1-2-3;2-2-3;..19.....3;1-2- |
823e0 | 33 3b 32 2d 32 2d 33 3b 00 02 32 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 3;2-2-3;..20.....3;1-2-3;2-2-3;2 |
82400 | 2d 31 2d 31 35 3b 00 02 32 31 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d | -1-15;..21.....3;1-2-3;1-1-15;2- |
82420 | 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 32 32 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 | 2-3;2-1-30;..22.....15;1-1-3;2-2 |
82440 | 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 2a 00 00 00 43 4f 63 31 6e 63 28 6e 63 28 6e 31 29 43 | -3;....smiles.*...COc1nc(nc(n1)C |
82460 | 29 4e 43 28 3d 4f 29 4e 53 28 3d 4f 29 28 3d 4f 29 63 31 63 63 63 63 63 31 43 6c 00 09 75 70 64 | )NC(=O)NS(=O)(=O)c1ccccc1Cl..upd |
82480 | 61 74 65 64 5f 61 74 00 30 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 84 79 7d 46 | ated_at.0.}FP....created_at..y}F |
824a0 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
824c0 | 00 00 02 69 6e 63 68 69 00 7b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 32 43 6c 4e 35 | ...inchi.{...InChI=1S/C12H12ClN5 |
824e0 | 4f 34 53 2f 63 31 2d 37 2d 31 34 2d 31 30 28 31 37 2d 31 32 28 31 35 2d 37 29 32 32 2d 32 29 31 | O4S/c1-7-14-10(17-12(15-7)22-2)1 |
82500 | 36 2d 31 31 28 31 39 29 31 38 2d 32 33 28 32 30 2c 32 31 29 39 2d 36 2d 34 2d 33 2d 35 2d 38 28 | 6-11(19)18-23(20,21)9-6-4-3-5-8( |
82520 | 39 29 31 33 2f 68 33 2d 36 48 2c 31 2d 32 48 33 2c 28 48 32 2c 31 34 2c 31 35 2c 31 36 2c 31 37 | 9)13/h3-6H,1-2H3,(H2,14,15,16,17 |
82540 | 2c 31 38 2c 31 39 29 00 00 b5 06 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 33 04 77 | ,18,19)......._id.V.$7+r.0...3.w |
82560 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 12 05 00 00 04 | arnings.......fingerprints...... |
82580 | 4d 50 32 44 00 07 05 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 | MP2D......0.....8;1-1-1;2-1-3;.. |
825a0 | 31 00 15 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 00 02 32 00 1b 00 | 1.....1;1-1-3;1-1-8;2-2-3;..2... |
825c0 | 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b 00 02 33 00 | ..3;1-1-1;1-2-3;2-2-3;2-2-8;..3. |
825e0 | 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 | ....3;1-2-3;2-1-1;2-2-3;2-1-6;.. |
82600 | 34 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b | 4.!...3;1-2-3;1-1-6;2-2-3;2-1-6; |
82620 | 32 2d 31 2d 38 3b 00 02 35 00 15 00 00 00 36 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 33 2d | 2-1-8;..5.....6;1-1-3;1-1-6;2-3- |
82640 | 33 3b 00 02 36 00 15 00 00 00 36 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 33 2d 33 3b 00 02 | 3;..6.....6;1-1-3;1-1-6;2-3-3;.. |
82660 | 37 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 33 2d 33 3b 32 2d 31 2d 36 3b | 7.....3;1-2-3;1-1-6;2-3-3;2-1-6; |
82680 | 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 39 00 | ..8.....3;1-2-3;2-2-3;2-1-6;..9. |
826a0 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 30 00 22 00 | ....3;1-2-3;2-2-3;2-1-10;..10.". |
826c0 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 | ..3;1-2-3;1-1-10;2-3-3;2-1-8;2-2 |
826e0 | 2d 39 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 30 | -9;..11.....3;1-3-3;2-4-3;2-1-10 |
82700 | 3b 00 02 31 32 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 36 3b 00 02 | ;..12.....3;1-3-3;2-4-3;2-1-6;.. |
82720 | 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 34 00 0f 00 00 00 33 3b | 13.....3;1-2-3;2-3-3;..14.....3; |
82740 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 1-2-3;2-2-3;..15.....3;1-2-3;2-2 |
82760 | 2d 33 3b 00 02 31 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 37 00 1c | -3;..16.....3;1-2-3;2-3-3;..17.. |
82780 | 00 00 00 31 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 | ...10;1-1-3;1-1-8;1-2-9;2-2-3;.. |
827a0 | 31 38 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d | 18.....9;1-1-10;2-1-3;2-1-8;2-1- |
827c0 | 39 3b 00 02 31 39 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b | 9;..19.....9;1-1-10;2-1-3;2-1-8; |
827e0 | 32 2d 31 2d 39 3b 00 02 32 30 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d | 2-1-9;..20.....8;1-1-10;2-1-3;2- |
82800 | 32 2d 39 3b 00 02 32 31 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 | 2-9;..21.....3;1-2-3;1-1-8;2-2-3 |
82820 | 3b 32 2d 32 2d 36 3b 00 02 32 32 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d | ;2-2-6;..22.!...3;1-2-3;1-1-6;2- |
82840 | 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 32 2d 38 3b 00 02 32 33 00 21 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-1-6;2-2-8;..23.!...3;1-2-3 |
82860 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 32 34 00 0f 00 | ;1-1-8;2-1-1;2-2-3;2-1-6;..24... |
82880 | 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 35 00 15 00 00 00 36 3b 31 2d 31 2d 33 | ..8;1-1-3;2-2-3;..25.....6;1-1-3 |
828a0 | 3b 31 2d 31 2d 36 3b 32 2d 33 2d 33 3b 00 02 32 36 00 15 00 00 00 36 3b 31 2d 31 2d 33 3b 31 2d | ;1-1-6;2-3-3;..26.....6;1-1-3;1- |
828c0 | 31 2d 36 3b 32 2d 33 2d 33 3b 00 02 32 37 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 | 1-6;2-3-3;..27.....3;1-2-3;1-1-6 |
828e0 | 3b 32 2d 33 2d 33 3b 32 2d 31 2d 36 3b 00 02 32 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-3-3;2-1-6;..28.....3;1-2-3;2- |
82900 | 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 32 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 2-3;2-1-6;..29.....3;1-2-3;2-2-3 |
82920 | 3b 32 2d 31 2d 31 30 3b 00 02 33 30 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b | ;2-1-10;..30."...3;1-2-3;1-1-10; |
82940 | 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 33 31 00 16 00 00 00 33 3b 31 2d 33 | 2-3-3;2-1-8;2-2-9;..31.....3;1-3 |
82960 | 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 33 32 00 15 00 00 00 33 3b 31 2d 33 2d 33 | -3;2-4-3;2-1-10;..32.....3;1-3-3 |
82980 | 3b 32 2d 34 2d 33 3b 32 2d 31 2d 36 3b 00 02 33 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-4-3;2-1-6;..33.....3;1-2-3;2- |
829a0 | 33 2d 33 3b 00 02 33 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 33 35 00 | 3-3;..34.....3;1-2-3;2-2-3;..35. |
829c0 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 33 36 00 0f 00 00 00 33 3b 31 2d 32 | ....3;1-2-3;2-2-3;..36.....3;1-2 |
829e0 | 2d 33 3b 32 2d 33 2d 33 3b 00 02 33 37 00 1c 00 00 00 31 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 | -3;2-3-3;..37.....10;1-1-3;1-1-8 |
82a00 | 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 33 38 00 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 | ;1-2-9;2-2-3;..38.....9;1-1-10;2 |
82a20 | 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 33 39 00 1c 00 00 00 39 3b 31 2d 31 2d | -1-3;2-1-8;2-1-9;..39.....9;1-1- |
82a40 | 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 34 30 00 16 00 00 00 38 3b | 10;2-1-3;2-1-8;2-1-9;..40.....8; |
82a60 | 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 02 34 31 00 0f 00 00 00 38 3b 31 2d | 1-1-10;2-1-3;2-2-9;..41.....8;1- |
82a80 | 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 4d 00 00 00 4f 43 63 31 63 63 28 | 1-3;2-2-3;....smiles.M...OCc1cc( |
82aa0 | 4e 3d 4e 63 32 63 63 63 28 63 33 63 32 63 63 63 63 33 29 53 28 3d 4f 29 28 3d 4f 29 4f 29 63 28 | N=Nc2ccc(c3c2cccc3)S(=O)(=O)O)c( |
82ac0 | 63 28 63 31 4f 29 4e 3d 4e 63 31 63 63 63 28 63 32 63 31 63 63 63 63 32 29 53 28 3d 4f 29 28 3d | c(c1O)N=Nc1ccc(c2c1cccc2)S(=O)(= |
82ae0 | 4f 29 4f 29 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 34 88 7d 46 50 01 00 00 09 63 72 65 61 74 | O)O)O..updated_at.4.}FP....creat |
82b00 | 65 64 5f 61 74 00 8f 79 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at..y}FP....default_fingerpri |
82b20 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 c6 00 00 00 49 6e 43 68 49 3d 31 53 2f | nt_size......inchi.....InChI=1S/ |
82b40 | 43 32 37 48 32 30 4e 34 4f 39 53 32 2f 63 33 32 2d 31 34 2d 31 35 2d 31 33 2d 32 32 28 33 30 2d | C27H20N4O9S2/c32-14-15-13-22(30- |
82b60 | 32 38 2d 32 30 2d 39 2d 31 31 2d 32 33 28 34 31 28 33 35 2c 33 36 29 33 37 29 31 38 2d 37 2d 33 | 28-20-9-11-23(41(35,36)37)18-7-3 |
82b80 | 2d 31 2d 35 2d 31 36 28 31 38 29 32 30 29 32 37 28 33 34 29 32 35 28 32 36 28 31 35 29 33 33 29 | -1-5-16(18)20)27(34)25(26(15)33) |
82ba0 | 33 31 2d 32 39 2d 32 31 2d 31 30 2d 31 32 2d 32 34 28 34 32 28 33 38 2c 33 39 29 34 30 29 31 39 | 31-29-21-10-12-24(42(38,39)40)19 |
82bc0 | 2d 38 2d 34 2d 32 2d 36 2d 31 37 28 31 39 29 32 31 2f 68 31 2d 31 33 2c 33 32 2d 33 34 48 2c 31 | -8-4-2-6-17(19)21/h1-13,32-34H,1 |
82be0 | 34 48 32 2c 28 48 2c 33 35 2c 33 36 2c 33 37 29 28 48 2c 33 38 2c 33 39 2c 34 30 29 00 00 e5 03 | 4H2,(H,35,36,37)(H,38,39,40).... |
82c00 | 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 34 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V.$7+r.0...4.warnings.... |
82c20 | 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c5 02 00 00 04 4d 50 32 44 00 ba 02 00 00 02 30 | ...fingerprints......MP2D......0 |
82c40 | 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 | .....1;1-1-1;2-1-8;..1.....1;1-1 |
82c60 | 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 32 00 23 00 00 00 38 3b 31 2d 31 2d 31 3b | -1;1-1-8;2-1-12;..2.#...8;1-1-1; |
82c80 | 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 33 00 1d 00 | 1-1-12;2-1-1;2-2-8;2-1-18;..3... |
82ca0 | 00 00 31 32 3b 31 2d 33 2d 38 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 | ..12;1-3-8;1-1-18;2-2-1;2-1-3;.. |
82cc0 | 34 00 11 00 00 00 31 38 3b 31 2d 31 2d 31 32 3b 32 2d 33 2d 38 3b 00 02 35 00 23 00 00 00 38 3b | 4.....18;1-1-12;2-3-8;..5.#...8; |
82ce0 | 31 2d 31 2d 33 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b | 1-1-3;1-1-12;2-2-3;2-2-8;2-1-18; |
82d00 | 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d | ..6.....3;1-2-3;1-1-8;2-2-3;2-1- |
82d20 | 31 32 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 | 12;..7.....3;1-2-3;2-2-3;2-1-8;. |
82d40 | 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 39 00 1b 00 00 00 33 3b 31 | .8.....3;1-2-3;2-3-3;..9.....3;1 |
82d60 | 2d 33 2d 33 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 30 00 15 00 00 00 | -3-3;2-1-1;2-3-3;2-1-9;..10..... |
82d80 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 34 2d 33 3b 00 02 31 31 00 1b 00 00 00 33 3b 31 | 3;1-2-3;1-1-9;2-4-3;..11.....3;1 |
82da0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 32 00 15 00 00 00 | -2-3;2-2-3;2-1-8;2-1-9;..12..... |
82dc0 | 39 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 33 00 1c 00 00 00 33 3b 31 | 9;1-2-3;2-3-3;2-1-9;..13.....3;1 |
82de0 | 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 34 00 15 00 00 | -1-3;1-2-9;2-2-3;2-1-15;..14.... |
82e00 | 00 39 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 35 00 22 00 00 00 33 3b | .9;1-1-3;2-1-3;2-1-9;..15."...3; |
82e20 | 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 | 1-2-3;1-1-15;2-1-1;2-1-3;2-2-9;. |
82e40 | 02 31 36 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d | .16.....3;1-1-1;1-2-3;2-3-3;2-1- |
82e60 | 31 35 3b 00 02 31 37 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 38 00 10 | 15;..17.....1;1-1-3;2-2-3;..18.. |
82e80 | 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 39 00 23 00 00 00 38 3b 31 2d 31 | ...15;1-1-3;2-2-3;..19.#...8;1-1 |
82ea0 | 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 32 | -1;1-1-12;2-1-1;2-2-8;2-1-18;..2 |
82ec0 | 30 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 32 31 00 | 0.....1;1-1-1;1-1-8;2-1-12;..21. |
82ee0 | 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 28 00 00 | ....1;1-1-1;2-1-8;....smiles.(.. |
82f00 | 00 43 43 4f 50 28 3d 53 29 28 4f 63 31 63 63 63 32 63 28 63 31 29 6f 63 28 3d 4f 29 63 28 63 32 | .CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2 |
82f20 | 43 29 43 6c 29 4f 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 76 8a 7d 46 50 01 00 00 09 63 72 | C)Cl)OCC..updated_at.v.}FP....cr |
82f40 | 65 61 74 65 64 5f 61 74 00 96 79 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at..y}FP....default_finger |
82f60 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 68 00 00 00 49 6e 43 68 49 3d | print_size......inchi.h...InChI= |
82f80 | 31 53 2f 43 31 34 48 31 36 43 6c 4f 35 50 53 2f 63 31 2d 34 2d 31 37 2d 32 31 28 32 32 2c 31 38 | 1S/C14H16ClO5PS/c1-4-17-21(22,18 |
82fa0 | 2d 35 2d 32 29 32 30 2d 31 30 2d 36 2d 37 2d 31 31 2d 39 28 33 29 31 33 28 31 35 29 31 34 28 31 | -5-2)20-10-6-7-11-9(3)13(15)14(1 |
82fc0 | 36 29 31 39 2d 31 32 28 31 31 29 38 2d 31 30 2f 68 36 2d 38 48 2c 34 2d 35 48 32 2c 31 2d 33 48 | 6)19-12(11)8-10/h6-8H,4-5H2,1-3H |
82fe0 | 33 00 00 65 03 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 35 04 77 61 72 6e 69 6e 67 | 3..e...._id.V.$7+r.0...5.warning |
83000 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 58 02 00 00 04 4d 50 32 44 00 4d | s.......fingerprints.X....MP2D.M |
83020 | 02 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 32 3b 00 02 31 00 1c 00 00 | ....0.....1;1-1-5;2-1-12;..1.... |
83040 | 00 35 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 00 | .5;1-1-1;1-1-12;2-2-8;2-1-9;..2. |
83060 | 22 00 00 00 31 32 3b 31 2d 31 2d 35 3b 31 2d 32 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 | "...12;1-1-5;1-2-8;1-1-9;2-2-1;2 |
83080 | 2d 31 2d 33 3b 00 02 33 00 16 00 00 00 39 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 35 3b 32 2d 32 2d | -1-3;..3.....9;1-1-12;2-1-5;2-2- |
830a0 | 38 3b 00 02 34 00 28 00 00 00 38 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 33 3b 32 | 8;..4.(...8;1-1-3;1-1-12;2-2-3;2 |
830c0 | 2d 31 2d 35 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 00 23 00 00 00 33 3b 31 2d 32 2d 33 | -1-5;2-1-8;2-1-9;..5.#...3;1-2-3 |
830e0 | 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 32 3b 32 2d 31 2d 31 35 3b 00 02 36 00 15 | ;1-1-8;2-2-3;2-1-12;2-1-15;..6.. |
83100 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 15 00 00 00 33 | ...3;1-2-3;2-2-3;2-1-8;..7.....3 |
83120 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 00 1b 00 00 00 33 3b 31 2d 31 | ;1-2-3;2-1-1;2-2-3;..8.....3;1-1 |
83140 | 2d 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 1c 00 00 00 33 3b 31 | -1;1-2-3;2-3-1;2-2-3;..9.....3;1 |
83160 | 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 30 00 1c 00 00 | -2-3;2-1-1;2-2-3;2-1-15;..10.... |
83180 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 31 | .3;1-2-3;1-1-15;2-2-3;2-1-8;..11 |
831a0 | 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 15 00 00 00 31 3b 31 | .....15;1-1-3;2-2-3;..12.....1;1 |
831c0 | 2d 33 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 15 00 00 00 31 3b 31 2d 31 2d | -3-1;1-1-3;2-2-3;..13.....1;1-1- |
831e0 | 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 34 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 | 1;2-2-1;2-1-3;..14.....1;1-1-1;2 |
83200 | 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 35 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d | -2-1;2-1-3;..15.....1;1-1-1;2-2- |
83220 | 31 3b 32 2d 31 2d 33 3b 00 02 31 36 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b | 1;2-1-3;..16."...8;1-1-1;1-1-12; |
83240 | 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 37 00 10 00 00 00 31 3b 31 2d 31 | 2-1-5;2-1-8;2-1-9;..17.....1;1-1 |
83260 | 2d 38 3b 32 2d 31 2d 31 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 21 00 00 00 43 4e 50 28 3d 4f 29 | -8;2-1-12;....smiles.!...CNP(=O) |
83280 | 28 4f 63 31 63 63 63 28 63 63 31 43 6c 29 43 28 43 29 28 43 29 43 29 4f 43 00 09 75 70 64 61 74 | (Oc1ccc(cc1Cl)C(C)(C)C)OC..updat |
832a0 | 65 64 5f 61 74 00 39 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 9d 79 7d 46 50 01 | ed_at.9.}FP....created_at..y}FP. |
832c0 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
832e0 | 02 69 6e 63 68 69 00 5c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 39 43 6c 4e 4f 33 50 | .inchi.\...InChI=1S/C12H19ClNO3P |
83300 | 2f 63 31 2d 31 32 28 32 2c 33 29 39 2d 36 2d 37 2d 31 31 28 31 30 28 31 33 29 38 2d 39 29 31 37 | /c1-12(2,3)9-6-7-11(10(13)8-9)17 |
83320 | 2d 31 38 28 31 35 2c 31 34 2d 34 29 31 36 2d 35 2f 68 36 2d 38 48 2c 31 2d 35 48 33 2c 28 48 2c | -18(15,14-4)16-5/h6-8H,1-5H3,(H, |
83340 | 31 34 2c 31 35 29 00 00 67 0b 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 36 04 77 61 | 14,15)..g...._id.V.$7+r.0...6.wa |
83360 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 3d 09 00 00 04 4d | rnings.......fingerprints.=....M |
83380 | 50 32 44 00 32 09 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 | P2D.2....0.....8;1-1-1;2-1-1;..1 |
833a0 | 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 | .....1;1-1-1;1-1-8;2-1-1;2-1-8;. |
833c0 | 02 32 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 | .2.....1;1-2-1;1-1-8;2-2-1;2-2-8 |
833e0 | 3b 00 02 33 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 | ;..3.....8;1-2-1;2-3-1;2-1-8;..4 |
83400 | 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 | .....1;1-1-1;1-2-8;2-3-1;2-1-8;. |
83420 | 02 35 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 36 00 1b | .5.....8;1-2-1;2-3-1;2-1-8;..6.. |
83440 | 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 32 2d 38 3b 00 02 37 | ...1;1-2-1;1-1-8;2-3-1;2-2-8;..7 |
83460 | 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 | .....1;1-2-1;1-1-8;2-2-1;2-2-8;. |
83480 | 02 38 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 | .8.....1;1-1-1;1-1-8;2-1-1;2-1-8 |
834a0 | 3b 00 02 39 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 30 00 15 00 00 00 | ;..9.....8;1-1-1;2-1-1;..10..... |
834c0 | 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 31 00 1b 00 00 00 31 3b 31 | 8;1-2-1;2-3-1;2-1-8;..11.....1;1 |
834e0 | 2d 31 2d 31 3b 31 2d 32 2d 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 32 00 1b 00 00 00 | -1-1;1-2-8;2-3-1;2-1-8;..12..... |
83500 | 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 33 2d 38 3b 00 02 31 33 00 1b | 1;1-2-1;1-1-8;2-1-1;2-3-8;..13.. |
83520 | 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 31 | ...1;1-2-1;1-1-8;2-2-1;2-2-8;..1 |
83540 | 34 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 35 00 0f 00 00 00 38 3b 31 | 4.....8;1-1-1;2-2-1;..15.....8;1 |
83560 | 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 36 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d | -1-1;2-2-1;..16.....8;1-2-1;2-3- |
83580 | 31 3b 32 2d 31 2d 38 3b 00 02 31 37 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 | 1;2-1-8;..17.....1;1-2-1;1-1-8;2 |
835a0 | 2d 33 2d 31 3b 32 2d 32 2d 38 3b 00 02 31 38 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d | -3-1;2-2-8;..18.....1;1-2-1;1-1- |
835c0 | 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 31 39 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | 8;2-2-1;2-2-8;..19.....1;1-1-1;1 |
835e0 | 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 30 00 0f 00 00 00 38 3b 31 2d 31 2d | -1-8;2-1-1;2-1-8;..20.....8;1-1- |
83600 | 31 3b 32 2d 31 2d 31 3b 00 02 32 31 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 | 1;2-1-1;..21.....8;1-2-1;2-3-1;2 |
83620 | 2d 31 2d 38 3b 00 02 32 32 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 38 3b 32 2d 33 2d | -1-8;..22.....1;1-1-1;1-2-8;2-3- |
83640 | 31 3b 32 2d 31 2d 38 3b 00 02 32 33 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 | 1;2-1-8;..23.....1;1-2-1;1-1-8;2 |
83660 | 2d 31 2d 31 3b 32 2d 33 2d 38 3b 00 02 32 34 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d | -1-1;2-3-8;..24.....1;1-2-1;1-1- |
83680 | 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 32 35 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 | 8;2-2-1;2-2-8;..25.....8;1-1-1;2 |
836a0 | 2d 32 2d 31 3b 00 02 32 36 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 37 | -2-1;..26.....8;1-1-1;2-2-1;..27 |
836c0 | 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 38 00 1b 00 | .....8;1-2-1;2-3-1;2-1-8;..28... |
836e0 | 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 32 2d 38 3b 00 02 32 39 | ..1;1-2-1;1-1-8;2-3-1;2-2-8;..29 |
83700 | 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 | .....1;1-2-1;1-1-8;2-2-1;2-2-8;. |
83720 | 02 33 30 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d | .30.....1;1-1-1;1-1-8;2-1-1;2-1- |
83740 | 38 3b 00 02 33 31 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 33 32 00 15 00 | 8;..31.....8;1-1-1;2-1-1;..32... |
83760 | 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 33 00 1b 00 00 00 31 | ..8;1-2-1;2-3-1;2-1-8;..33.....1 |
83780 | 3b 31 2d 31 2d 31 3b 31 2d 32 2d 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 34 00 1b 00 | ;1-1-1;1-2-8;2-3-1;2-1-8;..34... |
837a0 | 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 33 2d 38 3b 00 02 33 35 | ..1;1-2-1;1-1-8;2-1-1;2-3-8;..35 |
837c0 | 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 | .....1;1-2-1;1-1-8;2-2-1;2-2-8;. |
837e0 | 02 33 36 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 37 00 0f 00 00 00 38 | .36.....8;1-1-1;2-2-1;..37.....8 |
83800 | 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 38 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d | ;1-1-1;2-2-1;..38.....8;1-2-1;2- |
83820 | 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 39 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 | 3-1;2-1-8;..39.....1;1-2-1;1-1-8 |
83840 | 3b 32 2d 33 2d 31 3b 32 2d 32 2d 38 3b 00 02 34 30 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d | ;2-3-1;2-2-8;..40.....1;1-2-1;1- |
83860 | 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 34 31 00 15 00 00 00 38 3b 31 2d 32 2d 31 | 1-8;2-2-1;2-2-8;..41.....8;1-2-1 |
83880 | 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 32 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | ;2-3-1;2-1-8;..42.....1;1-1-1;1- |
838a0 | 32 2d 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 33 00 15 00 00 00 38 3b 31 2d 32 2d 31 | 2-8;2-3-1;2-1-8;..43.....8;1-2-1 |
838c0 | 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 34 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d | ;2-3-1;2-1-8;..44.....1;1-2-1;1- |
838e0 | 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 32 2d 38 3b 00 02 34 35 00 1b 00 00 00 31 3b 31 2d 32 2d 31 | 1-8;2-3-1;2-2-8;..45.....1;1-2-1 |
83900 | 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 34 36 00 15 00 00 00 38 3b 31 2d | ;1-1-8;2-2-1;2-2-8;..46.....8;1- |
83920 | 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 37 00 1b 00 00 00 31 3b 31 2d 31 2d 31 | 2-1;2-3-1;2-1-8;..47.....1;1-1-1 |
83940 | 3b 31 2d 32 2d 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 38 00 15 00 00 00 38 3b 31 2d | ;1-2-8;2-3-1;2-1-8;..48.....8;1- |
83960 | 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 39 00 1b 00 00 00 31 3b 31 2d 32 2d 31 | 2-1;2-3-1;2-1-8;..49.....1;1-2-1 |
83980 | 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 32 2d 38 3b 00 02 35 30 00 1b 00 00 00 31 3b 31 2d | ;1-1-8;2-3-1;2-2-8;..50.....1;1- |
839a0 | 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 35 31 00 15 00 00 00 38 | 2-1;1-1-8;2-2-1;2-2-8;..51.....8 |
839c0 | 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 32 00 1b 00 00 00 31 3b 31 2d | ;1-2-1;2-3-1;2-1-8;..52.....1;1- |
839e0 | 31 2d 31 3b 31 2d 32 2d 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 33 00 15 00 00 00 38 | 1-1;1-2-8;2-3-1;2-1-8;..53.....8 |
83a00 | 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 34 00 1b 00 00 00 31 3b 31 2d | ;1-2-1;2-3-1;2-1-8;..54.....1;1- |
83a20 | 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 32 2d 38 3b 00 02 35 35 00 1b 00 00 00 31 | 2-1;1-1-8;2-3-1;2-2-8;..55.....1 |
83a40 | 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 35 36 00 1b 00 | ;1-2-1;1-1-8;2-2-1;2-2-8;..56... |
83a60 | 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 33 2d 38 3b 00 02 35 37 | ..1;1-2-1;1-1-8;2-1-1;2-3-8;..57 |
83a80 | 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 35 38 00 0f 00 00 00 38 3b 31 2d | .....8;1-1-1;2-2-1;..58.....8;1- |
83aa0 | 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 35 39 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 | 1-1;2-2-1;..59.....1;1-2-1;1-1-8 |
83ac0 | 3b 32 2d 31 2d 31 3b 32 2d 33 2d 38 3b 00 02 36 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d | ;2-1-1;2-3-8;..60.....8;1-1-1;2- |
83ae0 | 32 2d 31 3b 00 02 36 31 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 | 2-1;..61.....1;1-2-1;1-1-8;2-2-1 |
83b00 | 3b 32 2d 32 2d 38 3b 00 02 36 32 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 | ;2-2-8;..62.....8;1-1-1;2-2-1;.. |
83b20 | 36 33 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 | 63.....1;1-1-1;1-1-8;2-1-1;2-1-8 |
83b40 | 3b 00 02 36 34 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 36 35 00 1b 00 00 | ;..64.....8;1-1-1;2-1-1;..65.... |
83b60 | 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 33 2d 38 3b 00 02 36 36 00 | .1;1-2-1;1-1-8;2-1-1;2-3-8;..66. |
83b80 | 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 36 37 00 1b 00 00 00 31 3b 31 2d 32 | ....8;1-1-1;2-2-1;..67.....1;1-2 |
83ba0 | 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 36 38 00 0f 00 00 00 38 3b | -1;1-1-8;2-2-1;2-2-8;..68.....8; |
83bc0 | 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 36 39 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | 1-1-1;2-2-1;..69.....1;1-1-1;1-1 |
83be0 | 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 37 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b | -8;2-1-1;2-1-8;..70.....8;1-1-1; |
83c00 | 32 2d 31 2d 31 3b 00 02 37 31 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 | 2-1-1;..71.....1;1-2-1;1-1-8;2-1 |
83c20 | 2d 31 3b 32 2d 33 2d 38 3b 00 02 37 32 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b | -1;2-3-8;..72.....8;1-1-1;2-2-1; |
83c40 | 00 02 37 33 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 | ..73.....1;1-2-1;1-1-8;2-2-1;2-2 |
83c60 | 2d 38 3b 00 02 37 34 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 37 35 00 1b | -8;..74.....8;1-1-1;2-2-1;..75.. |
83c80 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 37 | ...1;1-1-1;1-1-8;2-1-1;2-1-8;..7 |
83ca0 | 36 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 84 | 6.....8;1-1-1;2-1-1;....smiles.. |
83cc0 | 00 00 00 4f 43 43 31 4f 43 32 4f 43 33 43 28 43 4f 29 4f 43 28 43 28 43 33 4f 29 4f 29 4f 43 33 | ...OCC1OC2OC3C(CO)OC(C(C3O)O)OC3 |
83ce0 | 43 28 43 4f 29 4f 43 28 43 28 43 33 4f 29 4f 29 4f 43 33 43 28 43 4f 29 4f 43 28 43 28 43 33 4f | C(CO)OC(C(C3O)O)OC3C(CO)OC(C(C3O |
83d00 | 29 4f 29 4f 43 33 43 28 4f 43 28 4f 43 34 43 28 4f 43 28 4f 43 35 43 28 4f 43 28 4f 43 31 43 28 | )O)OC3C(OC(OC4C(OC(OC5C(OC(OC1C( |
83d20 | 43 32 4f 29 4f 29 43 28 4f 29 43 35 4f 29 43 4f 29 43 28 4f 29 43 34 4f 29 43 4f 29 43 28 4f 29 | C2O)O)C(O)C5O)CO)C(O)C4O)CO)C(O) |
83d40 | 43 33 4f 29 43 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 3e 88 7d 46 50 01 00 00 09 63 72 65 61 | C3O)CO..updated_at.>.}FP....crea |
83d60 | 74 65 64 5f 61 74 00 b1 79 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at..y}FP....default_fingerpr |
83d80 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 16 01 00 00 49 6e 43 68 49 3d 31 53 | int_size......inchi.....InChI=1S |
83da0 | 2f 43 34 32 48 37 30 4f 33 35 2f 63 34 33 2d 31 2d 38 2d 32 39 2d 31 35 28 35 30 29 32 32 28 35 | /C42H70O35/c43-1-8-29-15(50)22(5 |
83dc0 | 37 29 33 36 28 36 34 2d 38 29 37 32 2d 33 30 2d 39 28 32 2d 34 34 29 36 36 2d 33 38 28 32 34 28 | 7)36(64-8)72-30-9(2-44)66-38(24( |
83de0 | 35 39 29 31 37 28 33 30 29 35 32 29 37 34 2d 33 32 2d 31 31 28 34 2d 34 36 29 36 38 2d 34 30 28 | 59)17(30)52)74-32-11(4-46)68-40( |
83e00 | 32 36 28 36 31 29 31 39 28 33 32 29 35 34 29 37 36 2d 33 34 2d 31 33 28 36 2d 34 38 29 37 30 2d | 26(61)19(32)54)76-34-13(6-48)70- |
83e20 | 34 32 28 32 38 28 36 33 29 32 31 28 33 34 29 35 36 29 37 37 2d 33 35 2d 31 34 28 37 2d 34 39 29 | 42(28(63)21(34)56)77-35-14(7-49) |
83e40 | 36 39 2d 34 31 28 32 37 28 36 32 29 32 30 28 33 35 29 35 35 29 37 35 2d 33 33 2d 31 32 28 35 2d | 69-41(27(62)20(35)55)75-33-12(5- |
83e60 | 34 37 29 36 37 2d 33 39 28 32 35 28 36 30 29 31 38 28 33 33 29 35 33 29 37 33 2d 33 31 2d 31 30 | 47)67-39(25(60)18(33)53)73-31-10 |
83e80 | 28 33 2d 34 35 29 36 35 2d 33 37 28 37 31 2d 32 39 29 32 33 28 35 38 29 31 36 28 33 31 29 35 31 | (3-45)65-37(71-29)23(58)16(31)51 |
83ea0 | 2f 68 38 2d 36 33 48 2c 31 2d 37 48 32 00 00 74 02 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 | /h8-63H,1-7H2..t...._id.V.$7+r.0 |
83ec0 | fb 00 00 37 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 | ...7.warnings.......fingerprints |
83ee0 | 00 80 01 00 00 04 4d 50 32 44 00 75 01 00 00 02 30 00 11 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 | ......MP2D.u....0.....19;1-1-3;2 |
83f00 | 2d 32 2d 31 31 3b 00 02 31 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d | -2-11;..1.....3;1-2-11;1-1-19;2- |
83f20 | 32 2d 33 3b 00 02 32 00 18 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 32 2d 32 2d | 2-3;..2.....11;1-2-3;2-2-11;2-2- |
83f40 | 31 39 3b 00 02 33 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 | 19;..3.....3;1-2-11;1-1-19;2-1-1 |
83f60 | 3b 32 2d 32 2d 33 3b 00 02 34 00 1d 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d | ;2-2-3;..4.....19;1-1-1;1-1-3;2- |
83f80 | 32 2d 31 3b 32 2d 32 2d 31 31 3b 00 02 35 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 | 2-1;2-2-11;..5.....1;1-2-1;1-1-1 |
83fa0 | 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 36 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d | 9;2-2-1;2-1-3;..6.....1;1-2-1;2- |
83fc0 | 32 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 37 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 | 2-1;2-1-19;..7.....1;1-2-1;2-2-1 |
83fe0 | 3b 32 2d 31 2d 31 39 3b 00 02 38 00 18 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b | ;2-1-19;..8.....11;1-2-3;2-2-11; |
84000 | 32 2d 32 2d 31 39 3b 00 02 39 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 | 2-2-19;..9.....3;1-2-11;1-1-19;2 |
84020 | 2d 32 2d 33 3b 00 02 31 30 00 18 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 32 2d | -2-3;..10.....11;1-2-3;2-2-11;2- |
84040 | 32 2d 31 39 3b 00 02 31 31 00 11 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 00 | 2-19;..11.....19;1-1-3;2-2-11;.. |
84060 | 00 02 73 6d 69 6c 65 73 00 15 00 00 00 4e 63 31 6e 63 28 4e 43 32 43 43 32 29 6e 63 28 6e 31 29 | ..smiles.....Nc1nc(NC2CC2)nc(n1) |
84080 | 4e 00 09 75 70 64 61 74 65 64 5f 61 74 00 41 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | N..updated_at.A.}FP....created_a |
840a0 | 74 00 b8 79 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t..y}FP....default_fingerprint_s |
840c0 | 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 4f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 | ize......inchi.O...InChI=1S/C6H1 |
840e0 | 30 4e 36 2f 63 37 2d 34 2d 31 30 2d 35 28 38 29 31 32 2d 36 28 31 31 2d 34 29 39 2d 33 2d 31 2d | 0N6/c7-4-10-5(8)12-6(11-4)9-3-1- |
84100 | 32 2d 33 2f 68 33 48 2c 31 2d 32 48 32 2c 28 48 35 2c 37 2c 38 2c 39 2c 31 30 2c 31 31 2c 31 32 | 2-3/h3H,1-2H2,(H5,7,8,9,10,11,12 |
84120 | 29 00 00 74 03 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 38 04 77 61 72 6e 69 6e 67 | )..t...._id.V.$7+r.0...8.warning |
84140 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 72 02 00 00 04 4d 50 32 44 00 67 | s.......fingerprints.r....MP2D.g |
84160 | 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 31 00 1b 00 00 00 | ....0.....1;1-1-8;2-1-2;..1..... |
84180 | 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 00 21 00 | 8;1-1-1;1-1-2;2-1-3;2-1-9;..2.!. |
841a0 | 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d | ..2;1-1-3;1-1-8;1-1-9;2-1-1;2-2- |
841c0 | 33 3b 00 02 33 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 | 3;..3.....9;1-1-2;2-1-3;2-1-8;.. |
841e0 | 34 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b | 4.(...3;1-1-2;1-2-3;2-2-3;2-1-8; |
84200 | 32 2d 31 2d 39 3b 32 2d 32 2d 31 35 3b 00 02 35 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | 2-1-9;2-2-15;..5.#...3;1-2-3;1-1 |
84220 | 2d 31 35 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 36 00 10 00 00 00 31 | -15;2-1-2;2-2-3;2-1-15;..6.....1 |
84240 | 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 5;1-1-3;2-2-3;..7.#...3;1-2-3;1- |
84260 | 31 2d 31 35 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 38 00 10 00 00 00 | 1-15;2-1-2;2-2-3;2-1-15;..8..... |
84280 | 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 | 15;1-1-3;2-2-3;..9.(...3;1-1-2;1 |
842a0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 35 3b 00 02 | -2-3;2-2-3;2-1-8;2-1-9;2-2-15;.. |
842c0 | 31 30 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 32 3b 32 2d 32 2d | 10.#...3;1-2-3;1-1-15;2-1-2;2-2- |
842e0 | 33 3b 32 2d 31 2d 31 35 3b 00 02 31 31 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 | 3;2-1-15;..11.#...3;1-2-3;1-1-15 |
84300 | 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 32 00 10 00 00 00 31 35 3b | ;2-1-2;2-2-3;2-1-15;..12.....15; |
84320 | 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d | 1-1-3;2-2-3;..13.....15;1-1-3;2- |
84340 | 32 2d 33 3b 00 02 31 34 00 21 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 | 2-3;..14.!...2;1-1-3;1-1-8;1-1-9 |
84360 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 35 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d | ;2-1-1;2-2-3;..15.....9;1-1-2;2- |
84380 | 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 36 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | 1-3;2-1-8;..16.....8;1-1-1;1-1-2 |
843a0 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 37 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d | ;2-1-3;2-1-9;..17.....1;1-1-8;2- |
843c0 | 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 27 00 00 00 43 4f 43 28 3d 4f 29 63 31 63 28 43 6c | 1-2;....smiles.'...COC(=O)c1c(Cl |
843e0 | 29 63 28 43 6c 29 63 28 63 28 63 31 43 6c 29 43 6c 29 43 28 3d 4f 29 4f 43 00 09 75 70 64 61 74 | )c(Cl)c(c(c1Cl)Cl)C(=O)OC..updat |
84400 | 65 64 5f 61 74 00 3c 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c0 79 7d 46 50 01 | ed_at.<.}FP....created_at..y}FP. |
84420 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
84440 | 02 69 6e 63 68 69 00 4b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 36 43 6c 34 4f 34 2f 63 | .inchi.K...InChI=1S/C10H6Cl4O4/c |
84460 | 31 2d 31 37 2d 39 28 31 35 29 33 2d 35 28 31 31 29 37 28 31 33 29 34 28 31 30 28 31 36 29 31 38 | 1-17-9(15)3-5(11)7(13)4(10(16)18 |
84480 | 2d 32 29 38 28 31 34 29 36 28 33 29 31 32 2f 68 31 2d 32 48 33 00 00 c9 01 00 00 07 5f 69 64 00 | -2)8(14)6(3)12/h1-2H3......._id. |
844a0 | 56 16 24 37 2b 72 ed 30 fb 00 00 39 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V.$7+r.0...9.warnings.......fing |
844c0 | 65 72 70 72 69 6e 74 73 00 f9 00 00 00 04 4d 50 32 44 00 ee 00 00 00 02 30 00 17 00 00 00 33 32 | erprints......MP2D......0.....32 |
844e0 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 31 00 1d 00 00 00 32 3b 31 2d | ;1-1-2;2-1-1;2-1-32;..1.....2;1- |
84500 | 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 32 00 17 00 00 00 | 1-1;1-2-32;2-1-1;2-2-15;..2..... |
84520 | 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 33 00 1d 00 00 00 31 3b | 32;1-1-2;2-1-1;2-1-32;..3.....1; |
84540 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 32 2d 31 35 3b 32 2d 32 2d 33 32 3b 00 02 34 00 1d 00 | 1-1-1;1-1-2;1-2-15;2-2-32;..4... |
84560 | 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 | ..15;1-1-1;2-1-1;2-1-2;2-1-15;.. |
84580 | 35 00 1d 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 | 5.....15;1-1-1;2-1-1;2-1-2;2-1-1 |
845a0 | 35 3b 00 02 36 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 31 35 3b 00 | 5;..6.....1;1-1-1;2-1-2;2-2-15;. |
845c0 | 00 00 02 73 6d 69 6c 65 73 00 11 00 00 00 4f 43 28 3d 4f 29 43 28 43 6c 29 28 43 6c 29 43 00 09 | ...smiles.....OC(=O)C(Cl)(Cl)C.. |
845e0 | 75 70 64 61 74 65 64 5f 61 74 00 4e 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c6 | updated_at.N.}FP....created_at.. |
84600 | 79 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | y}FP....default_fingerprint_size |
84620 | 00 00 00 00 00 02 69 6e 63 68 69 00 2f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 48 34 43 6c 32 | ......inchi./...InChI=1S/C3H4Cl2 |
84640 | 4f 32 2f 63 31 2d 33 28 34 2c 35 29 32 28 36 29 37 2f 68 31 48 33 2c 28 48 2c 36 2c 37 29 00 00 | O2/c1-3(4,5)2(6)7/h1H3,(H,6,7).. |
84660 | 5b 01 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 3a 04 77 61 72 6e 69 6e 67 73 00 05 | [...._id.V.$7+r.0...:.warnings.. |
84680 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a4 00 00 00 04 4d 50 32 44 00 99 00 00 00 | .....fingerprints......MP2D..... |
846a0 | 02 30 00 18 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b 32 2d 31 2d 31 36 3b 00 02 | .0.....16;1-1-1;2-2-15;2-1-16;.. |
846c0 | 31 00 11 00 00 00 31 3b 31 2d 32 2d 31 35 3b 31 2d 32 2d 31 36 3b 00 02 32 00 18 00 00 00 31 35 | 1.....1;1-2-15;1-2-16;..2.....15 |
846e0 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 32 2d 32 2d 31 36 3b 00 02 33 00 18 00 00 00 31 35 3b | ;1-1-1;2-1-15;2-2-16;..3.....15; |
84700 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 32 2d 32 2d 31 36 3b 00 02 34 00 18 00 00 00 31 36 3b 31 | 1-1-1;2-1-15;2-2-16;..4.....16;1 |
84720 | 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b 32 2d 31 2d 31 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 0c 00 | -1-1;2-2-15;2-1-16;....smiles... |
84740 | 00 00 46 43 28 43 6c 29 28 43 6c 29 46 00 09 75 70 64 61 74 65 64 5f 61 74 00 47 88 7d 46 50 01 | ..FC(Cl)(Cl)F..updated_at.G.}FP. |
84760 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 cf 79 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at..y}FP....default_f |
84780 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 1b 00 00 00 49 | ingerprint_size......inchi.....I |
847a0 | 6e 43 68 49 3d 31 53 2f 43 43 6c 32 46 32 2f 63 32 2d 31 28 33 2c 34 29 35 00 00 63 03 00 00 07 | nChI=1S/CCl2F2/c2-1(3,4)5..c.... |
847c0 | 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 3b 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V.$7+r.0...;.warnings....... |
847e0 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 51 02 00 00 04 4d 50 32 44 00 46 02 00 00 02 30 00 15 00 | fingerprints.Q....MP2D.F....0... |
84800 | 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 00 1b 00 00 00 35 3b | ..1;1-1-5;2-1-1;2-1-5;..1.....5; |
84820 | 31 2d 32 2d 31 3b 31 2d 31 2d 35 3b 32 2d 33 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 00 1b 00 00 00 | 1-2-1;1-1-5;2-3-1;2-1-3;..2..... |
84840 | 35 3b 31 2d 32 2d 31 3b 31 2d 31 2d 35 3b 32 2d 33 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 00 15 00 | 5;1-2-1;1-1-5;2-3-1;2-1-3;..3... |
84860 | 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 34 00 27 00 00 00 31 3b | ..1;1-1-5;2-1-1;2-1-5;..4.'...1; |
84880 | 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d | 1-1-1;1-1-3;1-1-5;2-2-1;2-2-3;2- |
848a0 | 31 2d 35 3b 00 02 35 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 35 3b | 1-5;..5.....1;1-2-1;2-2-3;2-2-5; |
848c0 | 00 02 36 00 27 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 35 3b 32 2d 32 2d | ..6.'...1;1-1-1;1-1-3;1-1-5;2-2- |
848e0 | 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 00 02 37 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d | 1;2-2-3;2-1-5;..7.!...3;1-1-1;1- |
84900 | 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 00 02 38 00 15 00 00 00 33 3b | 2-3;2-1-1;2-2-3;2-1-5;..8.....3; |
84920 | 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d | 1-2-3;2-1-1;2-2-3;..9.....3;1-2- |
84940 | 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | 3;2-2-3;..10.....3;1-2-3;2-2-3;. |
84960 | 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 15 00 00 00 33 | .11.....3;1-2-3;2-2-3;..12.....3 |
84980 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 33 00 21 00 00 00 33 3b 31 2d | ;1-2-3;2-1-1;2-2-3;..13.!...3;1- |
849a0 | 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 00 02 31 34 | 1-1;1-2-3;2-1-1;2-2-3;2-1-5;..14 |
849c0 | 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 35 00 0f 00 | .....3;1-2-3;2-1-1;2-2-3;..15... |
849e0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | ..3;1-2-3;2-2-3;..16.....3;1-2-3 |
84a00 | 3b 32 2d 32 2d 33 3b 00 02 31 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 | ;2-2-3;..17.....3;1-2-3;2-2-3;.. |
84a20 | 31 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 00 00 02 73 | 18.....3;1-2-3;2-1-1;2-2-3;....s |
84a40 | 6d 69 6c 65 73 00 1e 00 00 00 43 4e 31 4e 28 43 29 43 28 43 43 31 63 31 63 63 63 63 63 31 29 63 | miles.....CN1N(C)C(CC1c1ccccc1)c |
84a60 | 31 63 63 63 63 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 4a 88 7d 46 50 01 00 00 09 63 72 65 | 1ccccc1..updated_at.J.}FP....cre |
84a80 | 61 74 65 64 5f 61 74 00 e4 79 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at..y}FP....default_fingerp |
84aa0 | 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 64 00 00 00 49 6e 43 68 49 3d 31 | rint_size......inchi.d...InChI=1 |
84ac0 | 53 2f 43 31 37 48 32 30 4e 32 2f 63 31 2d 31 38 2d 31 36 28 31 34 2d 39 2d 35 2d 33 2d 36 2d 31 | S/C17H20N2/c1-18-16(14-9-5-3-6-1 |
84ae0 | 30 2d 31 34 29 31 33 2d 31 37 28 31 39 28 31 38 29 32 29 31 35 2d 31 31 2d 37 2d 34 2d 38 2d 31 | 0-14)13-17(19(18)2)15-11-7-4-8-1 |
84b00 | 32 2d 31 35 2f 68 33 2d 31 32 2c 31 36 2d 31 37 48 2c 31 33 48 32 2c 31 2d 32 48 33 00 00 c7 03 | 2-15/h3-12,16-17H,13H2,1-2H3.... |
84b20 | 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 3c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V.$7+r.0...<.warnings.... |
84b40 | 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a8 02 00 00 04 4d 50 32 44 00 9d 02 00 00 02 30 | ...fingerprints......MP2D......0 |
84b60 | 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 31 00 1c 00 00 00 32 3b 31 2d | .....9;1-1-2;2-2-28;..1.....2;1- |
84b80 | 31 2d 39 3b 31 2d 32 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 32 00 1d 00 00 00 32 | 1-9;1-2-28;2-1-2;2-1-3;..2.....2 |
84ba0 | 38 3b 31 2d 32 2d 32 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 33 00 22 | 8;1-2-2;2-1-3;2-2-9;2-1-28;..3." |
84bc0 | 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d | ...2;1-1-3;1-1-9;1-1-28;2-1-2;2- |
84be0 | 32 2d 33 3b 00 02 34 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 | 2-3;..4.....9;1-1-2;2-1-3;2-1-28 |
84c00 | 3b 00 02 35 00 29 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | ;..5.)...3;1-1-2;1-2-3;2-2-3;2-1 |
84c20 | 2d 39 3b 32 2d 32 2d 31 36 3b 32 2d 31 2d 32 38 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 | -9;2-2-16;2-1-28;..6.....3;1-2-3 |
84c40 | 3b 31 2d 31 2d 31 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 10 00 00 00 31 36 3b 31 | ;1-1-16;2-1-2;2-2-3;..7.....16;1 |
84c60 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -1-3;2-2-3;..8.....3;1-2-3;2-2-3 |
84c80 | 3b 32 2d 31 2d 31 36 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 | ;2-1-16;..9.....3;1-2-3;2-2-3;.. |
84ca0 | 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 31 31 | 10.....3;1-2-3;2-2-3;2-1-16;..11 |
84cc0 | 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b | .....3;1-2-3;1-1-16;2-1-2;2-2-3; |
84ce0 | 00 02 31 32 00 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 23 00 00 | ..12.....16;1-1-3;2-2-3;..13.#.. |
84d00 | 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d | .28;1-1-2;1-1-3;2-2-3;2-1-9;2-1- |
84d20 | 32 38 3b 00 02 31 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 | 28;..14.....3;1-2-3;1-1-28;2-1-2 |
84d40 | 3b 32 2d 32 2d 33 3b 00 02 31 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | ;2-2-3;..15.....3;1-2-3;2-2-3;2- |
84d60 | 31 2d 32 38 3b 00 02 31 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 1-28;..16.....3;1-2-3;2-2-3;2-1- |
84d80 | 31 35 3b 00 02 31 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 | 15;..17.....3;1-2-3;1-1-15;2-2-3 |
84da0 | 3b 00 02 31 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 | ;..18.....3;1-2-3;2-2-3;2-1-15;. |
84dc0 | 02 31 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 32 | .19.....3;1-2-3;2-2-3;2-1-28;..2 |
84de0 | 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 | 0.....15;1-1-3;2-2-3;....smiles. |
84e00 | 25 00 00 00 4f 3d 43 28 4e 43 28 3d 4f 29 63 31 63 28 46 29 63 63 63 63 31 46 29 4e 63 31 63 63 | %...O=C(NC(=O)c1c(F)cccc1F)Nc1cc |
84e20 | 63 28 63 63 31 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 44 8c 7d 46 50 01 00 00 09 63 72 | c(cc1)Cl..updated_at.D.}FP....cr |
84e40 | 65 61 74 65 64 5f 61 74 00 ec 79 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at..y}FP....default_finger |
84e60 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 6a 00 00 00 49 6e 43 68 49 3d | print_size......inchi.j...InChI= |
84e80 | 31 53 2f 43 31 34 48 39 43 6c 46 32 4e 32 4f 32 2f 63 31 35 2d 38 2d 34 2d 36 2d 39 28 37 2d 35 | 1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5 |
84ea0 | 2d 38 29 31 38 2d 31 34 28 32 31 29 31 39 2d 31 33 28 32 30 29 31 32 2d 31 30 28 31 36 29 32 2d | -8)18-14(21)19-13(20)12-10(16)2- |
84ec0 | 31 2d 33 2d 31 31 28 31 32 29 31 37 2f 68 31 2d 37 48 2c 28 48 32 2c 31 38 2c 31 39 2c 32 30 2c | 1-3-11(12)17/h1-7H,(H2,18,19,20, |
84ee0 | 32 31 29 00 00 c8 02 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 3d 04 77 61 72 6e 69 | 21)......._id.V.$7+r.0...=.warni |
84f00 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 de 01 00 00 04 4d 50 32 44 | ngs.......fingerprints......MP2D |
84f20 | 00 d3 01 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 30 | ......0.....1;1-1-2;2-1-2;2-1-30 |
84f40 | 3b 00 02 31 00 29 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 30 3b 32 2d | ;..1.)...2;1-1-1;1-1-2;1-1-30;2- |
84f60 | 32 2d 31 3b 32 2d 32 2d 39 3b 32 2d 31 2d 33 30 3b 00 02 32 00 29 00 00 00 32 3b 31 2d 31 2d 31 | 2-1;2-2-9;2-1-30;..2.)...2;1-1-1 |
84f80 | 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 30 3b 32 2d 32 2d 31 3b 32 2d 32 2d 39 3b 32 2d 31 2d 33 30 | ;1-1-2;1-1-30;2-2-1;2-2-9;2-1-30 |
84fa0 | 3b 00 02 33 00 16 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 30 3b 00 02 | ;..3.....1;1-1-2;2-1-2;2-1-30;.. |
84fc0 | 34 00 22 00 00 00 33 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 32 2d 39 3b 32 2d 32 2d 31 | 4."...30;1-1-1;1-1-2;1-2-9;2-2-1 |
84fe0 | 3b 32 2d 31 2d 32 3b 00 02 35 00 1c 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 31 3b 32 2d | ;2-1-2;..5.....9;1-1-30;2-1-1;2- |
85000 | 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 36 00 1c 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 31 | 1-2;2-1-9;..6.....9;1-1-30;2-1-1 |
85020 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 37 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | ;2-1-2;2-1-9;..7.#...1;1-1-1;1-1 |
85040 | 2d 33 30 3b 32 2d 31 2d 32 3b 32 2d 32 2d 39 3b 32 2d 31 2d 33 30 3b 00 02 38 00 23 00 00 00 31 | -30;2-1-2;2-2-9;2-1-30;..8.#...1 |
85060 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 32 3b 32 2d 32 2d 39 3b 32 2d 31 2d 33 30 | ;1-1-1;1-1-30;2-1-2;2-2-9;2-1-30 |
85080 | 3b 00 02 39 00 22 00 00 00 33 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 32 2d 39 3b 32 2d | ;..9."...30;1-1-1;1-1-2;1-2-9;2- |
850a0 | 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 30 00 1c 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d | 2-1;2-1-2;..10.....9;1-1-30;2-1- |
850c0 | 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 31 00 1c 00 00 00 39 3b 31 2d 31 2d 33 30 3b | 1;2-1-2;2-1-9;..11.....9;1-1-30; |
850e0 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 1c 00 00 | 2-1-1;2-1-2;2-1-9;....smiles.... |
85100 | 00 43 43 31 3d 43 28 43 29 53 28 3d 4f 29 28 3d 4f 29 43 43 53 31 28 3d 4f 29 3d 4f 00 09 75 70 | .CC1=C(C)S(=O)(=O)CCS1(=O)=O..up |
85120 | 64 61 74 65 64 5f 61 74 00 4f 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f3 79 7d | dated_at.O.}FP....created_at..y} |
85140 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
85160 | 00 00 00 02 69 6e 63 68 69 00 3e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 30 4f 34 53 32 | ....inchi.>...InChI=1S/C6H10O4S2 |
85180 | 2f 63 31 2d 35 2d 36 28 32 29 31 32 28 39 2c 31 30 29 34 2d 33 2d 31 31 28 35 2c 37 29 38 2f 68 | /c1-5-6(2)12(9,10)4-3-11(5,7)8/h |
851a0 | 33 2d 34 48 32 2c 31 2d 32 48 33 00 00 9a 02 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 | 3-4H2,1-2H3......._id.V.$7+r.0.. |
851c0 | 00 3e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b1 | .>.warnings.......fingerprints.. |
851e0 | 01 00 00 04 4d 50 32 44 00 a6 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 | ....MP2D......0.....1;1-1-28;2-1 |
85200 | 2d 32 3b 00 02 31 00 1c 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b | -2;..1.....28;1-1-1;1-1-2;2-1-1; |
85220 | 32 2d 31 2d 39 3b 00 02 32 00 23 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d | 2-1-9;..2.#...2;1-1-1;1-1-9;1-1- |
85240 | 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 33 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b | 28;2-1-1;2-1-10;..3.....9;1-1-2; |
85260 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 34 00 24 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 | 2-1-1;2-1-28;..4.$...1;1-1-2;1-1 |
85280 | 2d 31 30 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 32 3b 32 2d 31 2d 32 38 3b 00 02 35 00 24 00 00 00 | -10;2-1-9;2-1-12;2-1-28;..5.$... |
852a0 | 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d | 10;1-1-1;1-1-12;2-1-2;2-2-8;2-1- |
852c0 | 31 38 3b 00 02 36 00 1e 00 00 00 31 32 3b 31 2d 32 2d 38 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 31 | 18;..6.....12;1-2-8;1-1-10;1-1-1 |
852e0 | 38 3b 32 2d 33 2d 31 3b 00 02 37 00 18 00 00 00 31 38 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b | 8;2-3-1;..7.....18;1-1-12;2-2-8; |
85300 | 32 2d 31 2d 31 30 3b 00 02 38 00 24 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d | 2-1-10;..8.$...8;1-1-1;1-1-12;2- |
85320 | 31 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 39 00 10 00 00 00 31 3b 31 2d 31 2d | 1-8;2-1-10;2-1-18;..9.....1;1-1- |
85340 | 38 3b 32 2d 31 2d 31 32 3b 00 02 31 30 00 24 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 | 8;2-1-12;..10.$...8;1-1-1;1-1-12 |
85360 | 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 31 31 00 10 00 00 00 31 3b | ;2-1-8;2-1-10;2-1-18;..11.....1; |
85380 | 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 15 00 00 00 43 4e 43 28 | 1-1-8;2-1-12;....smiles.....CNC( |
853a0 | 3d 4f 29 43 53 50 28 3d 53 29 28 4f 43 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 53 89 7d | =O)CSP(=S)(OC)OC..updated_at.S.} |
853c0 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f9 79 7d 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at..y}FP....defaul |
853e0 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 44 00 | t_fingerprint_size......inchi.D. |
85400 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 31 32 4e 4f 33 50 53 32 2f 63 31 2d 36 2d 35 28 37 29 | ..InChI=1S/C5H12NO3PS2/c1-6-5(7) |
85420 | 34 2d 31 32 2d 31 30 28 31 31 2c 38 2d 32 29 39 2d 33 2f 68 34 48 32 2c 31 2d 33 48 33 2c 28 48 | 4-12-10(11,8-2)9-3/h4H2,1-3H3,(H |
85440 | 2c 36 2c 37 29 00 00 2e 02 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 3f 04 77 61 72 | ,6,7)......._id.V.$7+r.0...?.war |
85460 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 4f 01 00 00 04 4d 50 | nings.......fingerprints.O....MP |
85480 | 32 44 00 44 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 | 2D.D....0.....1;1-1-8;2-1-3;..1. |
854a0 | 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 1b 00 00 00 | ....8;1-1-1;1-1-3;2-2-3;..2..... |
854c0 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 15 00 | 3;1-2-3;1-1-8;2-1-1;2-2-3;..3... |
854e0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 16 00 00 00 33 3b | ..3;1-2-3;2-2-3;2-1-8;..4.....3; |
85500 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 32 | 1-2-3;2-2-3;2-1-19;..5.....3;1-2 |
85520 | 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 22 00 00 00 33 3b | -3;1-1-19;2-2-3;2-1-8;..6."...3; |
85540 | 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 | 1-2-3;1-1-8;2-1-1;2-2-3;2-1-19;. |
85560 | 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b 00 02 38 00 15 | .7.....3;1-2-3;2-2-3;2-2-8;..8.. |
85580 | 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 31 | ...8;1-1-1;1-1-3;2-2-3;..9.....1 |
855a0 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 30 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 | ;1-1-8;2-1-3;..10.....19;1-1-3;2 |
855c0 | 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 12 00 00 00 43 4f 63 31 63 63 63 28 63 28 63 31 | -2-3;....smiles.....COc1ccc(c(c1 |
855e0 | 29 4f 43 29 4e 00 09 75 70 64 61 74 65 64 5f 61 74 00 52 88 7d 46 50 01 00 00 09 63 72 65 61 74 | )OC)N..updated_at.R.}FP....creat |
85600 | 65 64 5f 61 74 00 00 7a 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at..z}FP....default_fingerpri |
85620 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 3d 00 00 00 49 6e 43 68 49 3d 31 53 2f | nt_size......inchi.=...InChI=1S/ |
85640 | 43 38 48 31 31 4e 4f 32 2f 63 31 2d 31 30 2d 36 2d 33 2d 34 2d 37 28 39 29 38 28 35 2d 36 29 31 | C8H11NO2/c1-10-6-3-4-7(9)8(5-6)1 |
85660 | 31 2d 32 2f 68 33 2d 35 48 2c 39 48 32 2c 31 2d 32 48 33 00 00 7a 01 00 00 07 5f 69 64 00 56 16 | 1-2/h3-5H,9H2,1-2H3..z...._id.V. |
85680 | 24 37 2b 72 ed 30 fb 00 00 40 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | $7+r.0...@.warnings.......finger |
856a0 | 70 72 69 6e 74 73 00 b8 00 00 00 04 4d 50 32 44 00 ad 00 00 00 02 30 00 10 00 00 00 31 3b 31 2d | prints......MP2D......0.....1;1- |
856c0 | 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 | 1-8;2-1-12;..1.....8;1-1-1;1-1-1 |
856e0 | 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 00 16 00 00 00 31 32 3b 31 2d 32 2d 38 3b 31 | 2;2-1-8;2-1-9;..2.....12;1-2-8;1 |
85700 | 2d 31 2d 39 3b 32 2d 32 2d 31 3b 00 02 33 00 10 00 00 00 39 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d | -1-9;2-2-1;..3.....9;1-1-12;2-2- |
85720 | 38 3b 00 02 34 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 38 3b 32 | 8;..4.....8;1-1-1;1-1-12;2-1-8;2 |
85740 | 2d 31 2d 39 3b 00 02 35 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 00 00 02 | -1-9;..5.....1;1-1-8;2-1-12;.... |
85760 | 73 6d 69 6c 65 73 00 0a 00 00 00 43 4f 50 28 3d 4f 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 | smiles.....COP(=O)OC..updated_at |
85780 | 00 54 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 06 7a 7d 46 50 01 00 00 10 64 65 | .T.}FP....created_at..z}FP....de |
857a0 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 | fault_fingerprint_size......inch |
857c0 | 69 00 28 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 37 4f 33 50 2f 63 31 2d 34 2d 36 28 33 29 | i.(...InChI=1S/C2H7O3P/c1-4-6(3) |
857e0 | 35 2d 32 2f 68 36 48 2c 31 2d 32 48 33 00 00 20 03 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 | 5-2/h6H,1-2H3......._id.V.$7+r.0 |
85800 | fb 00 00 41 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 | ...A.warnings.......fingerprints |
85820 | 00 1c 02 00 00 04 4d 50 32 44 00 11 02 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 | ......MP2D......0.....1;1-1-28;2 |
85840 | 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 00 1c 00 00 00 32 38 3b 31 2d 32 2d 31 3b 31 2d 31 2d | -1-1;2-1-2;..1.....28;1-2-1;1-1- |
85860 | 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 32 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d | 2;2-1-1;2-1-9;..2."...2;1-1-1;1- |
85880 | 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 16 00 00 00 39 | 1-9;1-1-28;2-2-1;2-2-3;..3.....9 |
858a0 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 34 00 22 00 00 00 31 3b 31 2d | ;1-1-2;2-1-1;2-1-28;..4."...1;1- |
858c0 | 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 35 | 1-2;1-2-3;2-4-3;2-1-9;2-1-28;..5 |
858e0 | 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 | .....3;1-1-1;1-2-3;2-1-2;2-3-3;. |
85900 | 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 0f | .6.....3;1-2-3;2-1-1;2-2-3;..7.. |
85920 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | ...3;1-2-3;2-2-3;..8.....3;1-2-3 |
85940 | 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | ;2-2-3;..9.....3;1-2-3;2-2-3;..1 |
85960 | 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 1b | 0.....3;1-2-3;2-1-1;2-2-3;..11.. |
85980 | 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 02 31 | ...3;1-1-1;1-2-3;2-1-2;2-3-3;..1 |
859a0 | 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f | 2.....3;1-2-3;2-1-1;2-2-3;..13.. |
859c0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d | ...3;1-2-3;2-2-3;..14.....3;1-2- |
859e0 | 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | 3;2-2-3;..15.....3;1-2-3;2-2-3;. |
85a00 | 02 31 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 37 | .16.....3;1-2-3;2-1-1;2-2-3;..17 |
85a20 | 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d | .....1;1-1-28;2-1-1;2-1-2;....sm |
85a40 | 69 6c 65 73 00 1e 00 00 00 43 4e 28 43 28 3d 4f 29 43 28 63 31 63 63 63 63 63 31 29 63 31 63 63 | iles.....CN(C(=O)C(c1ccccc1)c1cc |
85a60 | 63 63 63 31 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 56 88 7d 46 50 01 00 00 09 63 72 65 61 | ccc1)C..updated_at.V.}FP....crea |
85a80 | 74 65 64 5f 61 74 00 10 7a 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at..z}FP....default_fingerpr |
85aa0 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 56 00 00 00 49 6e 43 68 49 3d 31 53 | int_size......inchi.V...InChI=1S |
85ac0 | 2f 43 31 36 48 31 37 4e 4f 2f 63 31 2d 31 37 28 32 29 31 36 28 31 38 29 31 35 28 31 33 2d 39 2d | /C16H17NO/c1-17(2)16(18)15(13-9- |
85ae0 | 35 2d 33 2d 36 2d 31 30 2d 31 33 29 31 34 2d 31 31 2d 37 2d 34 2d 38 2d 31 32 2d 31 34 2f 68 33 | 5-3-6-10-13)14-11-7-4-8-12-14/h3 |
85b00 | 2d 31 32 2c 31 35 48 2c 31 2d 32 48 33 00 00 3f 02 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 | -12,15H,1-2H3..?...._id.V.$7+r.0 |
85b20 | fb 00 00 42 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 | ...B.warnings.......fingerprints |
85b40 | 00 5c 01 00 00 04 4d 50 32 44 00 51 01 00 00 02 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | .\....MP2D.Q....0.....3;1-2-3;2- |
85b60 | 32 2d 33 3b 00 02 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 | 2-3;..1.....3;1-2-3;2-2-3;..2... |
85b80 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 16 00 00 00 33 | ..3;1-2-3;2-2-3;2-1-19;..3.....3 |
85ba0 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 33 2d 33 3b 00 02 34 00 16 00 00 00 33 3b 31 2d | ;1-2-3;1-1-19;2-3-3;..4.....3;1- |
85bc0 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-2-3;2-1-19;..5.....3;1-2-3 |
85be0 | 3b 32 2d 32 2d 33 3b 00 02 36 00 10 00 00 00 31 39 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 | ;2-2-3;..6.....19;1-2-3;2-4-3;.. |
85c00 | 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 33 2d 33 3b 00 02 38 00 16 | 7.....3;1-2-3;1-1-19;2-3-3;..8.. |
85c20 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 39 00 0f 00 00 00 | ...3;1-2-3;2-2-3;2-1-19;..9..... |
85c40 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-2-3;2-2-3;..10.....3;1-2-3;2 |
85c60 | 2d 32 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 | -2-3;..11.....3;1-2-3;2-2-3;..12 |
85c80 | 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d | .....3;1-2-3;2-2-3;2-1-19;....sm |
85ca0 | 69 6c 65 73 00 14 00 00 00 63 31 63 63 63 28 63 63 31 29 4e 63 31 63 63 63 63 63 31 00 09 75 70 | iles.....c1ccc(cc1)Nc1ccccc1..up |
85cc0 | 64 61 74 65 64 5f 61 74 00 86 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 17 7a 7d | dated_at...}FP....created_at..z} |
85ce0 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
85d00 | 00 00 00 02 69 6e 63 68 69 00 3f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 31 4e 2f 63 | ....inchi.?...InChI=1S/C12H11N/c |
85d20 | 31 2d 33 2d 37 2d 31 31 28 38 2d 34 2d 31 29 31 33 2d 31 32 2d 39 2d 35 2d 32 2d 36 2d 31 30 2d | 1-3-7-11(8-4-1)13-12-9-5-2-6-10- |
85d40 | 31 32 2f 68 31 2d 31 30 2c 31 33 48 00 00 8e 02 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb | 12/h1-10,13H......._id.V.$7+r.0. |
85d60 | 00 00 43 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 | ..C.warnings.......fingerprints. |
85d80 | 9c 01 00 00 04 4d 50 32 44 00 91 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 | .....MP2D......0.....1;1-2-1;2-2 |
85da0 | 2d 31 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 | -1;..1.....1;1-2-1;2-1-1;2-1-5;. |
85dc0 | 02 32 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 33 2d 31 3b 00 02 33 00 0f | .2.....1;1-1-1;1-1-5;2-3-1;..3.. |
85de0 | 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 34 2d 31 3b 00 02 34 00 1b 00 00 00 31 3b 31 2d 32 2d 31 | ...5;1-3-1;2-4-1;..4.....1;1-2-1 |
85e00 | 3b 31 2d 31 2d 35 3b 32 2d 34 2d 31 3b 32 2d 31 2d 35 3b 00 02 35 00 15 00 00 00 31 3b 31 2d 32 | ;1-1-5;2-4-1;2-1-5;..5.....1;1-2 |
85e20 | 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 36 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 | -1;2-2-1;2-1-5;..6.....1;1-2-1;1 |
85e40 | 2d 31 2d 35 3b 32 2d 34 2d 31 3b 32 2d 31 2d 35 3b 00 02 37 00 15 00 00 00 31 3b 31 2d 32 2d 31 | -1-5;2-4-1;2-1-5;..7.....1;1-2-1 |
85e60 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 | ;2-2-1;2-1-5;..8.....1;1-2-1;2-2 |
85e80 | 2d 31 3b 00 02 39 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 | -1;..9.....1;1-2-1;2-1-1;2-1-5;. |
85ea0 | 02 31 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 33 2d 31 3b 00 02 31 31 | .10.....1;1-1-1;1-1-5;2-3-1;..11 |
85ec0 | 00 0f 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 34 2d 31 3b 00 02 31 32 00 1b 00 00 00 31 3b 31 2d | .....5;1-3-1;2-4-1;..12.....1;1- |
85ee0 | 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 33 00 1b 00 00 00 31 | 1-1;1-1-5;2-2-1;2-1-5;..13.....1 |
85f00 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 00 00 02 73 6d 69 | ;1-1-1;1-1-5;2-2-1;2-1-5;....smi |
85f20 | 6c 65 73 00 17 00 00 00 43 31 43 43 4e 32 43 28 43 31 29 43 31 43 43 43 43 4e 31 43 43 32 00 09 | les.....C1CCN2C(C1)C1CCCCN1CC2.. |
85f40 | 75 70 64 61 74 65 64 5f 61 74 00 b8 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 1e | updated_at...}FP....created_at.. |
85f60 | 7a 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | z}FP....default_fingerprint_size |
85f80 | 00 00 00 00 00 02 69 6e 63 68 69 00 4b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 32 32 4e | ......inchi.K...InChI=1S/C12H22N |
85fa0 | 32 2f 63 31 2d 33 2d 37 2d 31 33 2d 39 2d 31 30 2d 31 34 2d 38 2d 34 2d 32 2d 36 2d 31 32 28 31 | 2/c1-3-7-13-9-10-14-8-4-2-6-12(1 |
85fc0 | 34 29 31 31 28 31 33 29 35 2d 31 2f 68 31 31 2d 31 32 48 2c 31 2d 31 30 48 32 00 00 c6 02 00 00 | 4)11(13)5-1/h11-12H,1-10H2...... |
85fe0 | 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 44 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V.$7+r.0...D.warnings...... |
86000 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 df 01 00 00 04 4d 50 32 44 00 d4 01 00 00 02 30 00 10 | .fingerprints......MP2D......0.. |
86020 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d | ...1;1-1-1;2-1-10;..1.....1;1-1- |
86040 | 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 00 02 32 00 10 00 00 00 31 30 3b 31 2d 32 2d 31 3b | 1;1-1-10;2-1-1;..2.....10;1-2-1; |
86060 | 32 2d 32 2d 31 3b 00 02 33 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 | 2-2-1;..3.....1;1-1-1;1-1-10;2-1 |
86080 | 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 34 00 1e 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 | -1;2-1-10;..4.....1;1-1-1;1-1-10 |
860a0 | 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 32 3b 00 02 35 00 24 00 00 00 31 30 3b 31 2d 31 2d 31 3b | ;2-1-10;2-1-12;..5.$...10;1-1-1; |
860c0 | 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 36 00 1e 00 | 1-1-12;2-1-1;2-2-8;2-1-18;..6... |
860e0 | 00 00 31 32 3b 31 2d 32 2d 38 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 31 38 3b 32 2d 33 2d 31 3b 00 | ..12;1-2-8;1-1-10;1-1-18;2-3-1;. |
86100 | 02 37 00 18 00 00 00 31 38 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 30 3b 00 02 | .7.....18;1-1-12;2-2-8;2-1-10;.. |
86120 | 38 00 2a 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 | 8.*...8;1-1-1;1-1-12;2-1-1;2-1-8 |
86140 | 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 39 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | ;2-1-10;2-1-18;..9.....1;1-1-1;1 |
86160 | 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 | -1-8;2-1-12;..10.....1;1-1-1;2-1 |
86180 | 2d 38 3b 00 02 31 31 00 2a 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 | -8;..11.*...8;1-1-1;1-1-12;2-1-1 |
861a0 | 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 31 32 00 16 00 00 00 31 3b | ;2-1-8;2-1-10;2-1-18;..12.....1; |
861c0 | 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 33 00 0f 00 00 00 31 3b 31 2d | 1-1-1;1-1-8;2-1-12;..13.....1;1- |
861e0 | 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 14 00 00 00 43 43 53 43 43 53 50 | 1-1;2-1-8;....smiles.....CCSCCSP |
86200 | 28 3d 53 29 28 4f 43 43 29 4f 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 fe 8b 7d 46 50 01 00 | (=S)(OCC)OCC..updated_at...}FP.. |
86220 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 24 7a 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at.$z}FP....default_fi |
86240 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 43 00 00 00 49 6e | ngerprint_size......inchi.C...In |
86260 | 43 68 49 3d 31 53 2f 43 38 48 31 39 4f 32 50 53 33 2f 63 31 2d 34 2d 39 2d 31 31 28 31 32 2c 31 | ChI=1S/C8H19O2PS3/c1-4-9-11(12,1 |
86280 | 30 2d 35 2d 32 29 31 34 2d 38 2d 37 2d 31 33 2d 36 2d 33 2f 68 34 2d 38 48 32 2c 31 2d 33 48 33 | 0-5-2)14-8-7-13-6-3/h4-8H2,1-3H3 |
862a0 | 00 00 ec 01 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 45 04 77 61 72 6e 69 6e 67 73 | ......._id.V.$7+r.0...E.warnings |
862c0 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 14 01 00 00 04 4d 50 32 44 00 09 01 | .......fingerprints......MP2D... |
862e0 | 00 00 02 30 00 18 00 00 00 32 38 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 32 38 3b | ...0.....28;1-1-2;2-1-18;2-1-28; |
86300 | 00 02 31 00 18 00 00 00 32 3b 31 2d 31 2d 31 38 3b 31 2d 32 2d 32 38 3b 32 2d 31 2d 32 38 3b 00 | ..1.....2;1-1-18;1-2-28;2-1-28;. |
86320 | 02 32 00 11 00 00 00 31 38 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 33 00 25 00 00 00 32 | .2.....18;1-1-2;2-2-28;..3.%...2 |
86340 | 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d | 8;1-1-2;1-1-28;2-1-2;2-1-18;2-1- |
86360 | 32 38 3b 00 02 34 00 25 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 | 28;..4.%...28;1-1-2;1-1-28;2-1-2 |
86380 | 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 32 38 3b 00 02 35 00 18 00 00 00 32 3b 31 2d 31 2d 31 38 3b | ;2-1-18;2-1-28;..5.....2;1-1-18; |
863a0 | 31 2d 32 2d 32 38 3b 32 2d 31 2d 32 38 3b 00 02 36 00 11 00 00 00 31 38 3b 31 2d 31 2d 32 3b 32 | 1-2-28;2-1-28;..6.....18;1-1-2;2 |
863c0 | 2d 32 2d 32 38 3b 00 02 37 00 18 00 00 00 32 38 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 38 3b 32 2d | -2-28;..7.....28;1-1-2;2-1-18;2- |
863e0 | 31 2d 32 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 0f 00 00 00 4e 43 28 3d 53 29 4e 4e 43 28 3d 53 | 1-28;....smiles.....NC(=S)NNC(=S |
86400 | 29 4e 00 09 75 70 64 61 74 65 64 5f 61 74 00 5f 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | )N..updated_at._.}FP....created_ |
86420 | 61 74 00 2b 7a 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at.+z}FP....default_fingerprint_ |
86440 | 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 39 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 | size......inchi.9...InChI=1S/C2H |
86460 | 36 4e 34 53 32 2f 63 33 2d 31 28 37 29 35 2d 36 2d 32 28 34 29 38 2f 68 28 48 33 2c 33 2c 35 2c | 6N4S2/c3-1(7)5-6-2(4)8/h(H3,3,5, |
86480 | 37 29 28 48 33 2c 34 2c 36 2c 38 29 00 00 c8 02 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb | 7)(H3,4,6,8)......._id.V.$7+r.0. |
864a0 | 00 00 46 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 | ..F.warnings.......fingerprints. |
864c0 | cd 01 00 00 04 4d 50 32 44 00 c2 01 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 | .....MP2D......0.....9;1-1-2;2-2 |
864e0 | 2d 32 38 3b 00 02 31 00 1c 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 32 2d 32 38 3b 32 2d 32 2d 31 | -28;..1.....2;1-1-9;1-2-28;2-2-1 |
86500 | 3b 32 2d 31 2d 33 3b 00 02 32 00 1d 00 00 00 32 38 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d | ;2-1-3;..2.....28;1-2-1;1-1-2;2- |
86520 | 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 33 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d | 1-9;2-1-28;..3.....1;1-1-28;2-1- |
86540 | 31 3b 32 2d 31 2d 32 3b 00 02 34 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 | 1;2-1-2;..4.....1;1-1-28;2-1-1;2 |
86560 | 2d 31 2d 32 3b 00 02 35 00 23 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d | -1-2;..5.#...28;1-1-2;1-1-3;2-2- |
86580 | 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 3;2-1-9;2-1-28;..6.....3;1-2-3;1 |
865a0 | 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d | -1-28;2-1-2;2-2-3;..7.....3;1-2- |
865c0 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;2-2-3;2-1-28;..8.....3;1-2-3;2 |
865e0 | 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 39 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | -2-3;2-1-15;..9.....3;1-2-3;1-1- |
86600 | 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 30 00 1d 00 00 00 33 3b 31 2d 32 2d 33 | 15;2-2-3;2-1-15;..10.....3;1-2-3 |
86620 | 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 31 00 1d 00 00 00 33 3b | ;1-1-15;2-2-3;2-1-15;..11.....3; |
86640 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 10 | 1-2-3;2-2-3;2-1-15;2-1-28;..12.. |
86660 | 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 10 00 00 00 31 35 3b 31 2d | ...15;1-1-3;2-2-3;..13.....15;1- |
86680 | 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1c 00 00 00 4f 3d 43 28 4e 28 43 | 1-3;2-2-3;....smiles.....O=C(N(C |
866a0 | 29 43 29 4e 63 31 63 63 63 28 63 28 63 31 29 43 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 | )C)Nc1ccc(c(c1)Cl)Cl..updated_at |
866c0 | 00 33 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 3a 7a 7d 46 50 01 00 00 10 64 65 | .3.}FP....created_at.:z}FP....de |
866e0 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 | fault_fingerprint_size......inch |
86700 | 69 00 4f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 30 43 6c 32 4e 32 4f 2f 63 31 2d 31 33 | i.O...InChI=1S/C9H10Cl2N2O/c1-13 |
86720 | 28 32 29 39 28 31 34 29 31 32 2d 36 2d 33 2d 34 2d 37 28 31 30 29 38 28 31 31 29 35 2d 36 2f 68 | (2)9(14)12-6-3-4-7(10)8(11)5-6/h |
86740 | 33 2d 35 48 2c 31 2d 32 48 33 2c 28 48 2c 31 32 2c 31 34 29 00 00 c7 01 00 00 07 5f 69 64 00 56 | 3-5H,1-2H3,(H,12,14)......._id.V |
86760 | 16 24 37 2b 72 ed 30 fb 00 00 47 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | .$7+r.0...G.warnings.......finge |
86780 | 72 70 72 69 6e 74 73 00 f5 00 00 00 04 4d 50 32 44 00 ea 00 00 00 02 30 00 10 00 00 00 31 35 3b | rprints......MP2D......0.....15; |
867a0 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 17 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 1-1-1;2-1-1;..1.....1;1-1-1;1-1- |
867c0 | 31 35 3b 32 2d 31 2d 31 32 3b 00 02 32 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 | 15;2-1-12;..2.#...1;1-1-1;1-1-12 |
867e0 | 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 35 3b 00 02 33 00 1c 00 00 00 31 32 3b 31 | ;2-2-8;2-1-9;2-1-15;..3.....12;1 |
86800 | 2d 31 2d 31 3b 31 2d 32 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 00 02 34 00 16 00 00 00 39 | -1-1;1-2-8;1-1-9;2-1-1;..4.....9 |
86820 | 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 00 02 35 00 1c 00 00 00 38 3b 31 2d | ;1-1-12;2-1-1;2-2-8;..5.....8;1- |
86840 | 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 36 00 1c 00 00 00 38 | 1-12;2-1-1;2-1-8;2-1-9;..6.....8 |
86860 | 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d | ;1-1-12;2-1-1;2-1-8;2-1-9;....sm |
86880 | 69 6c 65 73 00 0e 00 00 00 43 6c 43 43 50 28 3d 4f 29 28 4f 29 4f 00 09 75 70 64 61 74 65 64 5f | iles.....ClCCP(=O)(O)O..updated_ |
868a0 | 61 74 00 00 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 41 7a 7d 46 50 01 00 00 10 | at...}FP....created_at.Az}FP.... |
868c0 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e | default_fingerprint_size......in |
868e0 | 63 68 69 00 34 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 36 43 6c 4f 33 50 2f 63 33 2d 31 2d | chi.4...InChI=1S/C2H6ClO3P/c3-1- |
86900 | 32 2d 37 28 34 2c 35 29 36 2f 68 31 2d 32 48 32 2c 28 48 32 2c 34 2c 35 2c 36 29 00 00 f3 02 00 | 2-7(4,5)6/h1-2H2,(H2,4,5,6)..... |
86920 | 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 48 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V.$7+r.0...H.warnings..... |
86940 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 fb 01 00 00 04 4d 50 32 44 00 f0 01 00 00 02 30 00 | ..fingerprints......MP2D......0. |
86960 | 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d | ....1;1-1-1;2-1-8;..1.....1;1-1- |
86980 | 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 32 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d | 1;1-1-8;2-1-2;..2.....8;1-1-1;1- |
869a0 | 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b | 1-2;2-2-1;2-1-9;..3.!...2;1-1-1; |
869c0 | 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 00 15 00 00 00 | 1-1-8;1-1-9;2-2-1;2-1-8;..4..... |
869e0 | 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 2d 00 00 00 31 3b 31 2d | 9;1-1-2;2-1-1;2-1-8;..5.-...1;1- |
86a00 | 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d | 1-1;1-1-2;1-1-8;2-2-1;2-1-3;2-2- |
86a20 | 38 3b 32 2d 31 2d 39 3b 00 02 36 00 1b 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d | 8;2-1-9;..6.....8;1-2-1;2-3-1;2- |
86a40 | 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 37 00 2d 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b | 1-2;2-1-3;..7.-...1;1-2-1;1-1-3; |
86a60 | 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 | 1-1-8;2-1-1;2-1-2;2-2-3;2-1-8;.. |
86a80 | 38 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b | 8.....1;1-1-1;2-1-1;2-1-3;2-1-8; |
86aa0 | 00 02 39 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d | ..9.!...3;1-1-1;1-2-3;2-2-1;2-2- |
86ac0 | 33 3b 32 2d 31 2d 38 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 | 3;2-1-8;..10.....3;1-2-3;2-1-1;2 |
86ae0 | 2d 32 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 | -2-3;..11.....3;1-2-3;2-2-3;..12 |
86b00 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d | .....3;1-2-3;2-2-3;..13.....3;1- |
86b20 | 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 | 2-3;2-2-3;..14.....3;1-2-3;2-1-1 |
86b40 | 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 43 43 4f 43 28 3d 4f 29 43 31 | ;2-2-3;....smiles.....CCOC(=O)C1 |
86b60 | 4f 43 31 28 43 29 63 31 63 63 63 63 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 64 88 7d 46 50 | OC1(C)c1ccccc1..updated_at.d.}FP |
86b80 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 47 7a 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.Gz}FP....default_ |
86ba0 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 4f 00 00 00 | fingerprint_size......inchi.O... |
86bc0 | 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 34 4f 33 2f 63 31 2d 33 2d 31 34 2d 31 31 28 31 33 29 | InChI=1S/C12H14O3/c1-3-14-11(13) |
86be0 | 31 30 2d 31 32 28 32 2c 31 35 2d 31 30 29 39 2d 37 2d 35 2d 34 2d 36 2d 38 2d 39 2f 68 34 2d 38 | 10-12(2,15-10)9-7-5-4-6-8-9/h4-8 |
86c00 | 2c 31 30 48 2c 33 48 32 2c 31 2d 32 48 33 00 00 f9 03 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed | ,10H,3H2,1-2H3......._id.V.$7+r. |
86c20 | 30 fb 00 00 49 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | 0...I.warnings.......fingerprint |
86c40 | 73 00 d3 02 00 00 04 4d 50 32 44 00 c8 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 | s......MP2D......0.....1;1-1-8;2 |
86c60 | 2d 31 2d 32 3b 00 02 31 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 | -1-2;..1.....8;1-1-1;1-1-2;2-1-9 |
86c80 | 3b 32 2d 31 2d 32 38 3b 00 02 32 00 22 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d | ;2-1-28;..2."...2;1-1-8;1-1-9;1- |
86ca0 | 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 00 16 00 00 00 39 3b 31 2d 31 2d 32 | 1-28;2-1-1;2-1-3;..3.....9;1-1-2 |
86cc0 | 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 34 00 23 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 | ;2-1-8;2-1-28;..4.#...28;1-1-2;1 |
86ce0 | 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 31 3b 00 02 35 00 24 00 00 00 | -1-3;2-1-8;2-1-9;2-2-11;..5.$... |
86d00 | 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 3;1-2-11;1-1-28;2-1-2;2-2-3;2-1- |
86d20 | 31 33 3b 00 02 36 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 | 13;..6.....11;1-2-3;2-2-3;2-1-11 |
86d40 | 3b 32 2d 31 2d 32 38 3b 00 02 37 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 | ;2-1-28;..7.....3;1-2-3;1-1-11;2 |
86d60 | 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | -3-3;2-1-11;..8.$...3;1-2-3;1-1- |
86d80 | 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 02 39 00 25 00 00 00 31 | 11;2-3-3;2-1-11;2-1-13;..9.%...1 |
86da0 | 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d | 1;1-2-3;1-1-13;2-2-3;2-1-11;2-1- |
86dc0 | 32 38 3b 00 02 31 30 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 31 | 28;..10.....13;1-1-11;2-2-3;..11 |
86de0 | 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 31 | .....3;1-2-3;2-2-3;2-1-10;2-1-11 |
86e00 | 3b 00 02 31 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 33 2d 33 3b 00 | ;..12.....3;1-2-3;1-1-10;2-3-3;. |
86e20 | 02 31 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 | .13.....3;1-2-3;2-2-3;2-1-10;..1 |
86e40 | 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 35 00 | 4.....3;1-2-3;2-2-3;2-1-11;..15. |
86e60 | 10 00 00 00 31 30 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 36 00 16 00 00 00 33 3b 31 2d | ....10;1-2-3;2-4-3;..16.....3;1- |
86e80 | 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 33 2d 33 3b 00 02 31 37 00 16 00 00 00 33 3b 31 2d 32 2d | 2-3;1-1-10;2-3-3;..17.....3;1-2- |
86ea0 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b | 3;2-2-3;2-1-10;..18.....3;1-2-3; |
86ec0 | 32 2d 32 2d 33 3b 00 02 31 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 | 2-2-3;..19.....3;1-2-3;2-2-3;..2 |
86ee0 | 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 31 00 16 00 00 00 33 3b 31 | 0.....3;1-2-3;2-2-3;..21.....3;1 |
86f00 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 00 00 02 73 6d 69 6c 65 73 00 26 00 00 | -2-3;2-2-3;2-1-10;....smiles.&.. |
86f20 | 00 43 4f 43 28 3d 4f 29 4e 63 31 6e 63 32 63 28 5b 6e 48 5d 31 29 63 63 28 63 63 32 29 53 63 31 | .COC(=O)Nc1nc2c([nH]1)cc(cc2)Sc1 |
86f40 | 63 63 63 63 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 67 88 7d 46 50 01 00 00 09 63 72 65 61 | ccccc1..updated_at.g.}FP....crea |
86f60 | 74 65 64 5f 61 74 00 4f 7a 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at.Oz}FP....default_fingerpr |
86f80 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 70 00 00 00 49 6e 43 68 49 3d 31 53 | int_size......inchi.p...InChI=1S |
86fa0 | 2f 43 31 35 48 31 33 4e 33 4f 32 53 2f 63 31 2d 32 30 2d 31 35 28 31 39 29 31 38 2d 31 34 2d 31 | /C15H13N3O2S/c1-20-15(19)18-14-1 |
86fc0 | 36 2d 31 32 2d 38 2d 37 2d 31 31 28 39 2d 31 33 28 31 32 29 31 37 2d 31 34 29 32 31 2d 31 30 2d | 6-12-8-7-11(9-13(12)17-14)21-10- |
86fe0 | 35 2d 33 2d 32 2d 34 2d 36 2d 31 30 2f 68 32 2d 39 48 2c 31 48 33 2c 28 48 32 2c 31 36 2c 31 37 | 5-3-2-4-6-10/h2-9H,1H3,(H2,16,17 |
87000 | 2c 31 38 2c 31 39 29 00 00 cc 03 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 4a 04 77 | ,18,19)......._id.V.$7+r.0...J.w |
87020 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a8 02 00 00 04 | arnings.......fingerprints...... |
87040 | 4d 50 32 44 00 9d 02 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 | MP2D......0.....1;1-1-11;2-2-3;. |
87060 | 02 31 00 16 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 | .1.....11;1-1-1;1-2-3;2-2-3;..2. |
87080 | 1c 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 | ....3;1-1-3;1-1-11;2-1-1;2-3-3;. |
870a0 | 02 33 00 1c 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 | .3.....3;1-3-3;2-3-3;2-1-9;2-1-1 |
870c0 | 31 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 35 00 0f 00 00 00 | 1;..4.....3;1-3-3;2-4-3;..5..... |
870e0 | 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 3;1-2-3;2-3-3;..6.....3;1-2-3;2- |
87100 | 32 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | 2-3;..7.....3;1-2-3;2-1-1;2-2-3; |
87120 | 00 02 38 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 33 2d | ..8.....3;1-1-1;1-2-3;2-2-3;2-3- |
87140 | 31 36 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 | 16;..9.....3;1-2-3;2-1-1;2-3-3;. |
87160 | 02 31 30 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 31 | .10.....1;1-1-3;1-3-16;2-2-3;..1 |
87180 | 31 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 31 32 | 1.....16;1-1-1;2-1-3;2-2-16;..12 |
871a0 | 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 31 33 00 | .....16;1-1-1;2-1-3;2-2-16;..13. |
871c0 | 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 31 34 00 15 | ....16;1-1-1;2-1-3;2-2-16;..14.. |
871e0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 34 2d 33 3b 00 02 31 35 00 0f 00 00 00 | ...3;1-2-3;1-1-9;2-4-3;..15..... |
87200 | 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 1c 00 00 00 33 3b 31 2d 33 2d 33 3b 32 | 9;1-1-3;2-2-3;..16.....3;1-3-3;2 |
87220 | 2d 33 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 31 37 00 1c 00 00 00 33 3b 31 2d 31 | -3-3;2-1-9;2-1-11;..17.....3;1-1 |
87240 | 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 31 38 00 0f 00 00 00 33 | -3;1-1-11;2-1-1;2-3-3;..18.....3 |
87260 | 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;1-3-3;2-4-3;..19.....3;1-2-3;2- |
87280 | 33 2d 33 3b 00 02 32 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 31 00 | 3-3;..20.....3;1-2-3;2-2-3;..21. |
872a0 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 32 00 0f 00 00 00 33 3b 31 2d 32 | ....3;1-2-3;2-2-3;..22.....3;1-2 |
872c0 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b | -3;2-2-3;..23.....3;1-2-3;2-3-3; |
872e0 | 00 00 00 02 73 6d 69 6c 65 73 00 2c 00 00 00 43 6e 31 63 63 28 63 32 63 63 63 63 28 63 32 29 43 | ....smiles.,...Cn1cc(c2cccc(c2)C |
87300 | 28 46 29 28 46 29 46 29 63 28 3d 4f 29 63 28 63 31 29 63 31 63 63 63 63 63 31 00 09 75 70 64 61 | (F)(F)F)c(=O)c(c1)c1ccccc1..upda |
87320 | 74 65 64 5f 61 74 00 18 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 56 7a 7d 46 50 | ted_at...}FP....created_at.Vz}FP |
87340 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
87360 | 00 02 69 6e 63 68 69 00 68 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 39 48 31 34 46 33 4e 4f 2f | ..inchi.h...InChI=1S/C19H14F3NO/ |
87380 | 63 31 2d 32 33 2d 31 31 2d 31 36 28 31 33 2d 36 2d 33 2d 32 2d 34 2d 37 2d 31 33 29 31 38 28 32 | c1-23-11-16(13-6-3-2-4-7-13)18(2 |
873a0 | 34 29 31 37 28 31 32 2d 32 33 29 31 34 2d 38 2d 35 2d 39 2d 31 35 28 31 30 2d 31 34 29 31 39 28 | 4)17(12-23)14-8-5-9-15(10-14)19( |
873c0 | 32 30 2c 32 31 29 32 32 2f 68 32 2d 31 32 48 2c 31 48 33 00 00 cc 05 00 00 07 5f 69 64 00 56 16 | 20,21)22/h2-12H,1H3......._id.V. |
873e0 | 24 37 2b 72 ed 30 fb 00 00 4b 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | $7+r.0...K.warnings.......finger |
87400 | 70 72 69 6e 74 73 00 64 04 00 00 04 4d 50 32 44 00 59 04 00 00 02 30 00 0f 00 00 00 37 3b 31 2d | prints.d....MP2D.Y....0.....7;1- |
87420 | 31 2d 34 3b 32 2d 31 2d 31 3b 00 02 31 00 1b 00 00 00 34 3b 31 2d 31 2d 31 3b 31 2d 31 2d 37 3b | 1-4;2-1-1;..1.....4;1-1-1;1-1-7; |
87440 | 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 00 27 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d | 2-1-3;2-1-8;..2.'...1;1-1-3;1-1- |
87460 | 34 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 37 3b 00 02 33 00 21 00 | 4;1-1-8;2-1-2;2-2-3;2-1-7;..3.!. |
87480 | 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 34 3b 32 2d 31 2d | ..3;1-1-1;1-2-3;2-2-3;2-1-4;2-1- |
874a0 | 38 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 | 8;..4.....3;1-2-3;2-1-1;2-2-3;.. |
874c0 | 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d | 5.....3;1-2-3;2-2-3;..6.....3;1- |
874e0 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | 2-3;2-2-3;2-1-8;..7.....3;1-2-3; |
87500 | 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 38 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 1-1-8;2-3-3;..8.....3;1-2-3;2-1- |
87520 | 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 0f 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d | 1;2-2-3;2-1-8;..9.....8;1-2-3;2- |
87540 | 34 2d 33 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 | 4-3;..10.....3;1-2-3;1-1-8;2-3-3 |
87560 | 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 | ;..11.....3;1-2-3;2-2-3;2-1-8;.. |
87580 | 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b | 12.....3;1-2-3;2-2-3;..13.....3; |
875a0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 1-2-3;2-2-3;..14.....3;1-2-3;2-2 |
875c0 | 2d 33 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b | -3;..15.....3;1-2-3;2-2-3;2-1-8; |
875e0 | 00 02 31 36 00 27 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 | ..16.'...8;1-1-1;1-1-2;2-1-1;2-1 |
87600 | 2d 33 3b 32 2d 31 2d 34 3b 32 2d 31 2d 39 3b 00 02 31 37 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b | -3;2-1-4;2-1-9;..17."...2;1-1-1; |
87620 | 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 38 00 15 00 | 1-1-8;1-1-9;2-2-1;2-1-19;..18... |
87640 | 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 39 00 2e 00 00 00 31 | ..9;1-1-2;2-1-1;2-1-8;..19.....1 |
87660 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b | ;1-1-1;1-1-2;1-1-19;2-2-1;2-1-3; |
87680 | 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 30 00 16 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 | 2-1-8;2-1-9;..20.....1;1-3-1;2-1 |
876a0 | 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 32 31 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 | -2;2-1-19;..21.....1;1-1-1;2-2-1 |
876c0 | 3b 00 02 32 32 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 33 00 22 00 00 | ;..22.....1;1-1-1;2-2-1;..23.".. |
876e0 | 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d | .19;1-1-1;1-1-3;2-1-1;2-1-2;2-2- |
87700 | 33 3b 00 02 32 34 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b | 3;..24.#...3;1-2-3;1-1-19;2-1-1; |
87720 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 32 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 2-2-3;2-1-15;..25.....3;1-2-3;2- |
87740 | 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 32 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 2-3;2-1-19;..26.....3;1-2-3;2-1- |
87760 | 31 3b 32 2d 32 2d 33 3b 00 02 32 37 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 | 1;2-2-3;..27.....3;1-1-1;1-2-3;2 |
87780 | 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 32 38 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | -2-3;2-3-16;..28.....3;1-2-3;2-1 |
877a0 | 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 32 39 00 1d 00 00 00 33 3b 31 2d 32 2d 33 | -1;2-2-3;2-1-15;..29.....3;1-2-3 |
877c0 | 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 30 00 10 00 00 00 31 35 | ;1-1-15;2-2-3;2-1-19;..30.....15 |
877e0 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 33 31 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d | ;1-1-3;2-2-3;..31.....1;1-1-3;1- |
87800 | 33 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 33 32 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 | 3-16;2-2-3;..32.....16;1-1-1;2-1 |
87820 | 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 33 33 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d | -3;2-2-16;..33.....16;1-1-1;2-1- |
87840 | 33 3b 32 2d 32 2d 31 36 3b 00 02 33 34 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 | 3;2-2-16;..34.....16;1-1-1;2-1-3 |
87860 | 3b 32 2d 32 2d 31 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 3d 00 00 00 4e 23 43 43 28 63 31 63 63 | ;2-2-16;....smiles.=...N#CC(c1cc |
87880 | 63 63 28 63 31 29 4f 63 31 63 63 63 63 63 31 29 4f 43 28 3d 4f 29 43 28 43 28 43 29 43 29 4e 63 | cc(c1)Oc1ccccc1)OC(=O)C(C(C)C)Nc |
878a0 | 31 63 63 63 28 63 63 31 43 6c 29 43 28 46 29 28 46 29 46 00 09 75 70 64 61 74 65 64 5f 61 74 00 | 1ccc(cc1Cl)C(F)(F)F..updated_at. |
878c0 | 6c 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 5d 7a 7d 46 50 01 00 00 10 64 65 66 | l.}FP....created_at.]z}FP....def |
878e0 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
87900 | 00 9b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 36 48 32 32 43 6c 46 33 4e 32 4f 33 2f 63 31 2d | .....InChI=1S/C26H22ClF3N2O3/c1- |
87920 | 31 36 28 32 29 32 34 28 33 32 2d 32 32 2d 31 32 2d 31 31 2d 31 38 28 31 34 2d 32 31 28 32 32 29 | 16(2)24(32-22-12-11-18(14-21(22) |
87940 | 32 37 29 32 36 28 32 38 2c 32 39 29 33 30 29 32 35 28 33 33 29 33 35 2d 32 33 28 31 35 2d 33 31 | 27)26(28,29)30)25(33)35-23(15-31 |
87960 | 29 31 37 2d 37 2d 36 2d 31 30 2d 32 30 28 31 33 2d 31 37 29 33 34 2d 31 39 2d 38 2d 34 2d 33 2d | )17-7-6-10-20(13-17)34-19-8-4-3- |
87980 | 35 2d 39 2d 31 39 2f 68 33 2d 31 34 2c 31 36 2c 32 33 2d 32 34 2c 33 32 48 2c 31 2d 32 48 33 00 | 5-9-19/h3-14,16,23-24,32H,1-2H3. |
879a0 | 00 cc 02 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 4c 04 77 61 72 6e 69 6e 67 73 00 | ......_id.V.$7+r.0...L.warnings. |
879c0 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 db 01 00 00 04 4d 50 32 44 00 d0 01 00 | ......fingerprints......MP2D.... |
879e0 | 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 32 3b 00 02 31 00 24 00 00 00 31 | ..0.....1;1-1-1;2-1-12;..1.$...1 |
87a00 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 | ;1-1-1;1-1-12;2-1-8;2-1-10;2-1-1 |
87a20 | 38 3b 00 02 32 00 2a 00 00 00 31 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 30 3b | 8;..2.*...12;1-1-1;1-1-8;1-1-10; |
87a40 | 31 2d 31 2d 31 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 00 1e 00 00 00 31 38 3b 31 2d | 1-1-18;2-2-1;2-1-3;..3.....18;1- |
87a60 | 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 00 02 34 00 2a 00 00 00 | 1-12;2-1-1;2-1-8;2-1-10;..4.*... |
87a80 | 31 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 10;1-1-3;1-1-12;2-1-1;2-2-3;2-1- |
87aa0 | 38 3b 32 2d 31 2d 31 38 3b 00 02 35 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b | 8;2-1-18;..5.....3;1-2-3;1-1-10; |
87ac0 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 32 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 2-2-3;2-1-12;..6.....3;1-2-3;2-2 |
87ae0 | 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | -3;2-1-10;..7.....3;1-2-3;2-2-3; |
87b00 | 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 33 3b | ..8.....3;1-2-3;2-2-3;..9.....3; |
87b20 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 1-2-3;2-2-3;..10.....3;1-2-3;2-2 |
87b40 | 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 31 00 24 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 | -3;2-1-10;..11.$...8;1-1-1;1-1-1 |
87b60 | 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 31 32 00 16 00 00 00 31 | 2;2-2-1;2-1-10;2-1-18;..12.....1 |
87b80 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 33 00 0f 00 00 00 31 3b 31 | ;1-1-1;1-1-8;2-1-12;..13.....1;1 |
87ba0 | 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 16 00 00 00 43 43 50 28 3d 53 | -1-1;2-1-8;....smiles.....CCP(=S |
87bc0 | 29 28 53 63 31 63 63 63 63 63 31 29 4f 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 77 89 7d 46 | )(Sc1ccccc1)OCC..updated_at.w.}F |
87be0 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 64 7a 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at.dz}FP....default |
87c00 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 4b 00 00 | _fingerprint_size......inchi.K.. |
87c20 | 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 35 4f 50 53 32 2f 63 31 2d 33 2d 31 31 2d 31 32 28 | .InChI=1S/C10H15OPS2/c1-3-11-12( |
87c40 | 31 33 2c 34 2d 32 29 31 34 2d 31 30 2d 38 2d 36 2d 35 2d 37 2d 39 2d 31 30 2f 68 35 2d 39 48 2c | 13,4-2)14-10-8-6-5-7-9-10/h5-9H, |
87c60 | 33 2d 34 48 32 2c 31 2d 32 48 33 00 00 ca 04 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 | 3-4H2,1-2H3......._id.V.$7+r.0.. |
87c80 | 00 4d 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 8c | .M.warnings.......fingerprints.. |
87ca0 | 03 00 00 04 4d 50 32 44 00 81 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d | ....MP2D......0.....1;1-1-8;2-1- |
87cc0 | 33 3b 00 02 31 00 16 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 | 3;..1.....8;1-1-1;1-1-3;2-2-11;. |
87ce0 | 02 32 00 1c 00 00 00 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d | .2.....3;1-1-8;1-2-11;2-1-1;2-2- |
87d00 | 33 3b 00 02 33 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 31 3b | 3;..3.....11;1-2-3;2-1-8;2-2-11; |
87d20 | 32 2d 31 2d 32 38 3b 00 02 34 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 32 38 3b 32 | 2-1-28;..4.....3;1-2-11;1-1-28;2 |
87d40 | 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 35 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d | -1-2;2-2-3;..5.....11;1-2-3;2-1- |
87d60 | 31 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 31 2d 31 3b | 1;2-2-11;2-1-28;..6.....3;1-1-1; |
87d80 | 31 2d 32 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 37 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d | 1-2-11;2-2-3;..7.....11;1-2-3;2- |
87da0 | 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 31 3b 00 02 38 00 10 00 00 00 31 3b 31 2d 31 2d 33 | 1-1;2-1-8;2-2-11;..8.....1;1-1-3 |
87dc0 | 3b 32 2d 32 2d 31 31 3b 00 02 39 00 24 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 | ;2-2-11;..9.$...28;1-1-2;1-1-3;2 |
87de0 | 2d 31 2d 39 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 1d 00 00 00 32 3b 31 2d | -1-9;2-2-11;2-1-28;..10.....2;1- |
87e00 | 31 2d 39 3b 31 2d 32 2d 32 38 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 31 00 10 00 00 | 1-9;1-2-28;2-1-3;2-1-30;..11.... |
87e20 | 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 31 32 00 24 00 00 00 32 38 3b 31 2d 31 2d | .9;1-1-2;2-2-28;..12.$...28;1-1- |
87e40 | 32 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 33 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 33 | 2;1-1-30;2-1-3;2-3-9;2-1-28;..13 |
87e60 | 00 23 00 00 00 33 30 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 | .#...30;1-1-3;1-2-9;1-1-28;2-1-2 |
87e80 | 3b 32 2d 32 2d 33 3b 00 02 31 34 00 1d 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 | ;2-2-3;..14.....9;1-1-30;2-1-3;2 |
87ea0 | 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 35 00 1d 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d | -1-9;2-1-28;..15.....9;1-1-30;2- |
87ec0 | 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 36 00 30 00 00 00 33 3b 31 2d 32 2d | 1-3;2-1-9;2-1-28;..16.0...3;1-2- |
87ee0 | 33 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 | 3;1-1-30;2-1-2;2-1-3;2-2-9;2-1-1 |
87f00 | 38 3b 32 2d 31 2d 32 38 3b 00 02 31 37 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b | 8;2-1-28;..17.....3;1-2-3;2-1-3; |
87f20 | 32 2d 31 2d 31 38 3b 32 2d 31 2d 33 30 3b 00 02 31 38 00 16 00 00 00 33 3b 31 2d 31 2d 33 3b 31 | 2-1-18;2-1-30;..18.....3;1-1-3;1 |
87f40 | 2d 31 2d 31 38 3b 32 2d 32 2d 33 3b 00 02 31 39 00 16 00 00 00 31 38 3b 31 2d 32 2d 33 3b 32 2d | -1-18;2-2-3;..19.....18;1-2-3;2- |
87f60 | 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 30 00 2f 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 | 1-2;2-2-3;..20./...3;1-1-2;1-1-3 |
87f80 | 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 33 30 | ;1-1-18;2-2-3;2-1-8;2-1-9;2-1-30 |
87fa0 | 3b 00 02 32 31 00 28 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d | ;..21.(...2;1-1-3;1-1-8;1-1-9;2- |
87fc0 | 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 32 32 00 15 00 00 00 39 3b 31 2d 31 2d | 1-1;2-1-3;2-1-18;..22.....9;1-1- |
87fe0 | 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 33 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 | 2;2-1-3;2-1-8;..23.....8;1-1-1;1 |
88000 | 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 34 00 0f 00 00 00 31 3b 31 2d 31 2d | -1-2;2-1-3;2-1-9;..24.....1;1-1- |
88020 | 38 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 2e 00 00 00 43 4f 63 31 6e 63 28 6e 63 | 8;2-1-2;....smiles.....COc1nc(nc |
88040 | 28 6e 31 29 43 29 4e 43 28 3d 4f 29 4e 53 28 3d 4f 29 28 3d 4f 29 63 31 63 63 73 63 31 43 28 3d | (n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(= |
88060 | 4f 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 71 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 | O)OC..updated_at.q.}FP....create |
88080 | 64 5f 61 74 00 6b 7a 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.kz}FP....default_fingerprin |
880a0 | 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 80 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.....InChI=1S/C |
880c0 | 31 32 48 31 33 4e 35 4f 36 53 32 2f 63 31 2d 36 2d 31 33 2d 31 30 28 31 36 2d 31 32 28 31 34 2d | 12H13N5O6S2/c1-6-13-10(16-12(14- |
880e0 | 36 29 32 33 2d 33 29 31 35 2d 31 31 28 31 39 29 31 37 2d 32 35 28 32 30 2c 32 31 29 37 2d 34 2d | 6)23-3)15-11(19)17-25(20,21)7-4- |
88100 | 35 2d 32 34 2d 38 28 37 29 39 28 31 38 29 32 32 2d 32 2f 68 34 2d 35 48 2c 31 2d 33 48 33 2c 28 | 5-24-8(7)9(18)22-2/h4-5H,1-3H3,( |
88120 | 48 32 2c 31 33 2c 31 34 2c 31 35 2c 31 36 2c 31 37 2c 31 39 29 00 00 de 02 00 00 07 5f 69 64 00 | H2,13,14,15,16,17,19)......._id. |
88140 | 56 16 24 37 2b 72 ed 30 fb 00 00 4e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V.$7+r.0...N.warnings.......fing |
88160 | 65 72 70 72 69 6e 74 73 00 ec 01 00 00 04 4d 50 32 44 00 e1 01 00 00 02 30 00 17 00 00 00 39 3b | erprints......MP2D......0.....9; |
88180 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 00 17 00 00 00 31 39 3b 31 | 1-1-19;2-1-9;2-1-19;..1.....19;1 |
881a0 | 2d 32 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 32 00 17 00 00 00 39 3b 31 2d 31 2d | -2-9;1-1-19;2-2-1;..2.....9;1-1- |
881c0 | 31 39 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 33 00 1e 00 00 00 31 39 3b 31 2d 32 2d 31 | 19;2-1-9;2-1-19;..3.....19;1-2-1 |
881e0 | 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 39 3b 32 2d 32 2d 31 39 3b 00 02 34 00 17 00 00 00 31 3b 31 | ;1-1-19;2-2-9;2-2-19;..4.....1;1 |
88200 | 2d 32 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 31 39 3b 00 02 35 00 1e 00 00 00 31 39 3b 31 2d | -2-19;2-2-1;2-2-19;..5.....19;1- |
88220 | 32 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 39 3b 32 2d 32 2d 31 39 3b 00 02 36 00 17 00 00 00 | 2-1;1-1-19;2-2-9;2-2-19;..6..... |
88240 | 31 3b 31 2d 32 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 31 39 3b 00 02 37 00 1e 00 00 00 31 39 | 1;1-2-19;2-2-1;2-2-19;..7.....19 |
88260 | 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 39 3b 32 2d 32 2d 31 39 3b 00 02 38 00 17 | ;1-2-1;1-1-19;2-2-9;2-2-19;..8.. |
88280 | 00 00 00 31 3b 31 2d 32 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 31 39 3b 00 02 39 00 17 00 00 | ...1;1-2-19;2-2-1;2-2-19;..9.... |
882a0 | 00 31 39 3b 31 2d 32 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 31 30 00 17 00 00 00 | .19;1-2-9;1-1-19;2-2-1;..10..... |
882c0 | 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 17 00 00 00 39 | 9;1-1-19;2-1-9;2-1-19;..11.....9 |
882e0 | 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 32 00 17 00 00 00 31 39 | ;1-1-19;2-1-9;2-1-19;..12.....19 |
88300 | 3b 31 2d 32 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 00 02 31 33 00 17 00 00 00 39 3b 31 | ;1-2-9;1-1-19;2-2-1;..13.....9;1 |
88320 | 2d 31 2d 31 39 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 34 00 17 00 00 00 39 3b 31 2d | -1-19;2-1-9;2-1-19;..14.....9;1- |
88340 | 31 2d 31 39 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 22 00 00 | 1-19;2-1-9;2-1-19;....smiles.".. |
88360 | 00 4f 3d 4e 28 3d 4f 29 4e 31 43 4e 28 43 4e 28 43 31 29 4e 28 3d 4f 29 3d 4f 29 4e 28 3d 4f 29 | .O=N(=O)N1CN(CN(C1)N(=O)=O)N(=O) |
88380 | 3d 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 73 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | =O..updated_at.s.}FP....created_ |
883a0 | 61 74 00 76 7a 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at.vz}FP....default_fingerprint_ |
883c0 | 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 40 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 48 | size......inchi.@...InChI=1S/C3H |
883e0 | 36 4e 36 4f 36 2f 63 31 30 2d 37 28 31 31 29 34 2d 31 2d 35 28 38 28 31 32 29 31 33 29 33 2d 36 | 6N6O6/c10-7(11)4-1-5(8(12)13)3-6 |
88400 | 28 32 2d 34 29 39 28 31 34 29 31 35 2f 68 31 2d 33 48 32 00 00 40 03 00 00 07 5f 69 64 00 56 16 | (2-4)9(14)15/h1-3H2..@...._id.V. |
88420 | 24 37 2b 72 ed 30 fb 00 00 4f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | $7+r.0...O.warnings.......finger |
88440 | 70 72 69 6e 74 73 00 38 02 00 00 04 4d 50 32 44 00 2d 02 00 00 02 30 00 10 00 00 00 39 3b 31 2d | prints.8....MP2D.-....0.....9;1- |
88460 | 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 00 1c 00 00 00 33 3b 31 2d 31 2d 39 3b 31 2d 32 2d 31 | 1-3;2-2-11;..1.....3;1-1-9;1-2-1 |
88480 | 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 | 1;2-1-1;2-2-3;..2.....11;1-2-3;2 |
884a0 | 2d 31 2d 39 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 33 00 1d 00 00 00 33 3b 31 2d 32 | -1-9;2-2-11;2-1-19;..3.....3;1-2 |
884c0 | 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 33 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 17 00 00 00 31 | -11;1-1-19;2-3-1;2-2-3;..4.....1 |
884e0 | 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 35 00 16 00 00 00 31 3b 31 | 9;1-2-1;1-1-3;2-2-11;..5.....1;1 |
88500 | 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 36 00 16 00 00 00 31 3b 31 2d 31 2d | -1-19;2-1-1;2-1-3;..6.....1;1-1- |
88520 | 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 37 00 24 00 00 00 31 31 3b 31 2d 31 2d 31 3b | 19;2-1-1;2-1-3;..7.$...11;1-1-1; |
88540 | 31 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 38 00 1c 00 | 1-2-3;2-1-9;2-2-11;2-1-19;..8... |
88560 | 00 00 33 3b 31 2d 31 2d 39 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 | ..3;1-1-9;1-2-11;2-2-1;2-2-3;..9 |
88580 | 00 10 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 30 00 23 00 00 00 31 31 3b | .....9;1-1-3;2-2-11;..10.#...11; |
885a0 | 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 39 3b 32 2d 32 2d 31 31 3b 00 | 1-1-1;1-2-3;2-2-1;2-2-9;2-2-11;. |
885c0 | 02 31 31 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 31 3b 32 2d 32 | .11.....1;1-2-1;1-1-11;2-2-1;2-2 |
885e0 | 2d 33 3b 00 02 31 32 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 31 | -3;..12.....1;1-2-1;2-2-1;2-1-11 |
88600 | 3b 00 02 31 33 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 34 00 0f 00 00 | ;..13.....1;1-2-1;2-2-1;..14.... |
88620 | 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 35 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b | .1;1-2-1;2-2-1;..15.....1;1-2-1; |
88640 | 32 2d 32 2d 31 3b 00 02 31 36 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 | 2-2-1;..16.....1;1-2-1;2-2-1;2-1 |
88660 | 2d 31 31 3b 00 02 31 37 00 10 00 00 00 31 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 00 00 02 | -11;..17.....1;1-1-11;2-2-3;.... |
88680 | 73 6d 69 6c 65 73 00 21 00 00 00 4f 3d 63 31 6e 63 28 4e 28 43 29 43 29 6e 28 63 28 3d 4f 29 6e | smiles.!...O=c1nc(N(C)C)n(c(=O)n |
886a0 | 31 43 31 43 43 43 43 43 31 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 75 88 7d 46 50 01 00 00 | 1C1CCCCC1)C..updated_at.u.}FP... |
886c0 | 09 63 72 65 61 74 65 64 5f 61 74 00 7e 7a 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.~z}FP....default_fin |
886e0 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 57 00 00 00 49 6e 43 | gerprint_size......inchi.W...InC |
88700 | 68 49 3d 31 53 2f 43 31 32 48 32 30 4e 34 4f 32 2f 63 31 2d 31 34 28 32 29 31 30 2d 31 33 2d 31 | hI=1S/C12H20N4O2/c1-14(2)10-13-1 |
88720 | 31 28 31 37 29 31 36 28 31 32 28 31 38 29 31 35 28 31 30 29 33 29 39 2d 37 2d 35 2d 34 2d 36 2d | 1(17)16(12(18)15(10)3)9-7-5-4-6- |
88740 | 38 2d 39 2f 68 39 48 2c 34 2d 38 48 32 2c 31 2d 33 48 33 00 00 0f 02 00 00 07 5f 69 64 00 56 16 | 8-9/h9H,4-8H2,1-3H3......._id.V. |
88760 | 24 37 2b 72 ed 30 fb 00 00 50 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | $7+r.0...P.warnings.......finger |
88780 | 70 72 69 6e 74 73 00 39 01 00 00 04 4d 50 32 44 00 2e 01 00 00 02 30 00 0f 00 00 00 38 3b 31 2d | prints.9....MP2D......0.....8;1- |
887a0 | 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b | 1-3;2-2-3;..1.....3;1-2-3;1-1-8; |
887c0 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 2-2-3;2-1-11;..2.....3;1-2-3;2-2 |
887e0 | 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | -3;2-1-8;..3.....3;1-2-3;2-2-3;. |
88800 | 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 35 00 16 00 00 00 33 3b 31 | .4.....3;1-2-3;2-3-3;..5.....3;1 |
88820 | 2d 33 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d | -3-3;2-3-3;2-1-11;..6.....3;1-2- |
88840 | 33 3b 31 2d 31 2d 31 31 3b 32 2d 34 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 10 00 00 00 31 31 3b | 3;1-1-11;2-4-3;2-1-8;..7.....11; |
88860 | 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d | 1-2-3;2-3-3;..8.....3;1-1-3;1-1- |
88880 | 31 31 3b 32 2d 32 2d 33 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 | 11;2-2-3;..9.....3;1-2-3;2-1-3;2 |
888a0 | 2d 31 2d 31 31 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 00 00 | -1-11;..10.....3;1-2-3;2-3-3;... |
888c0 | 02 73 6d 69 6c 65 73 00 10 00 00 00 4f 63 31 63 63 63 63 32 63 31 6e 63 63 63 32 00 09 75 70 64 | .smiles.....Oc1cccc2c1nccc2..upd |
888e0 | 61 74 65 64 5f 61 74 00 77 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 85 7a 7d 46 | ated_at.w.}FP....created_at..z}F |
88900 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
88920 | 00 00 02 69 6e 63 68 69 00 36 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 37 4e 4f 2f 63 31 31 | ...inchi.6...InChI=1S/C9H7NO/c11 |
88940 | 2d 38 2d 35 2d 31 2d 33 2d 37 2d 34 2d 32 2d 36 2d 31 30 2d 39 28 37 29 38 2f 68 31 2d 36 2c 31 | -8-5-1-3-7-4-2-6-10-9(7)8/h1-6,1 |
88960 | 31 48 00 00 99 03 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 51 04 77 61 72 6e 69 6e | 1H......._id.V.$7+r.0...Q.warnin |
88980 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 87 02 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
889a0 | 7c 02 00 00 02 30 00 0f 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 00 02 31 00 15 00 00 | |....0.....2;1-1-2;2-1-1;..1.... |
889c0 | 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 00 1b 00 00 00 31 3b 31 | .2;1-1-1;1-1-2;2-1-8;..2.....1;1 |
889e0 | 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 00 1b 00 00 00 38 | -1-2;1-1-8;2-1-1;2-1-2;..3.....8 |
88a00 | 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 34 00 28 00 00 | ;1-2-1;2-1-1;2-1-2;2-1-3;..4.(.. |
88a20 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | .1;1-1-1;1-1-3;1-1-8;2-1-1;2-2-3 |
88a40 | 3b 32 2d 31 2d 31 31 3b 00 02 35 00 28 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d | ;2-1-11;..5.(...3;1-1-1;1-2-3;2- |
88a60 | 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 35 3b 00 02 36 00 15 00 00 00 33 | 1-1;2-2-3;2-1-8;2-1-15;..6.....3 |
88a80 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 | ;1-2-3;2-1-1;2-2-3;..7.....3;1-2 |
88aa0 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-2-3;2-1-15;..8.....3;1-2-3; |
88ac0 | 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 1-1-15;2-2-3;..9.....3;1-2-3;2-2 |
88ae0 | 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | -3;2-2-15;..10.....3;1-2-3;1-1-1 |
88b00 | 35 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b | 5;2-1-1;2-2-3;..11.....15;1-1-3; |
88b20 | 32 2d 32 2d 33 3b 00 02 31 32 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 | 2-2-3;..12.....15;1-1-3;2-2-3;.. |
88b40 | 31 33 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d | 13.....1;1-1-1;1-1-11;2-3-3;2-1- |
88b60 | 38 3b 00 02 31 34 00 23 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b | 8;..14.#...11;1-1-1;1-2-3;2-1-1; |
88b80 | 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 35 00 16 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 | 2-1-3;2-1-11;..15.....3;1-2-11;2 |
88ba0 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 36 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 | -1-1;2-2-3;..16.....11;1-2-3;2-1 |
88bc0 | 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 37 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 | -3;2-1-11;..17.....3;1-1-3;1-1-1 |
88be0 | 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 38 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b | 1;2-1-3;2-1-11;..18.#...3;1-1-3; |
88c00 | 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 00 00 02 73 6d | 1-1-11;2-1-1;2-1-3;2-1-11;....sm |
88c20 | 69 6c 65 73 00 1f 00 00 00 43 3d 43 43 4f 43 28 63 31 63 63 63 28 63 63 31 43 6c 29 43 6c 29 43 | iles.....C=CCOC(c1ccc(cc1Cl)Cl)C |
88c40 | 6e 31 63 6e 63 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 c8 8b 7d 46 50 01 00 00 09 63 72 65 | n1cncc1..updated_at...}FP....cre |
88c60 | 61 74 65 64 5f 61 74 00 8c 7a 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at..z}FP....default_fingerp |
88c80 | 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 63 00 00 00 49 6e 43 68 49 3d 31 | rint_size......inchi.c...InChI=1 |
88ca0 | 53 2f 43 31 34 48 31 34 43 6c 32 4e 32 4f 2f 63 31 2d 32 2d 37 2d 31 39 2d 31 34 28 39 2d 31 38 | S/C14H14Cl2N2O/c1-2-7-19-14(9-18 |
88cc0 | 2d 36 2d 35 2d 31 37 2d 31 30 2d 31 38 29 31 32 2d 34 2d 33 2d 31 31 28 31 35 29 38 2d 31 33 28 | -6-5-17-10-18)12-4-3-11(15)8-13( |
88ce0 | 31 32 29 31 36 2f 68 32 2d 36 2c 38 2c 31 30 2c 31 34 48 2c 31 2c 37 2c 39 48 32 00 00 5a 04 00 | 12)16/h2-6,8,10,14H,1,7,9H2..Z.. |
88d00 | 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 52 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V.$7+r.0...R.warnings..... |
88d20 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 2b 03 00 00 04 4d 50 32 44 00 20 03 00 00 02 30 00 | ..fingerprints.+....MP2D......0. |
88d40 | 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 32 2d | ....1;1-1-1;2-1-1;..1.....1;1-2- |
88d60 | 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 00 22 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d | 1;2-2-1;2-1-3;..2."...1;1-3-1;1- |
88d80 | 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 33 00 28 00 00 00 33 | 1-3;2-2-1;2-1-3;2-1-11;..3.(...3 |
88da0 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 33 3b | ;1-1-1;1-1-3;1-1-11;2-3-1;2-1-3; |
88dc0 | 32 2d 31 2d 39 3b 00 02 34 00 1c 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 31 | 2-1-9;..4.....11;1-1-3;1-1-9;2-1 |
88de0 | 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 1d 00 00 00 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b | -1;2-2-3;..5.....9;1-1-3;1-1-11; |
88e00 | 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 36 00 29 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 | 2-2-3;2-1-28;..6.)...3;1-1-3;1-1 |
88e20 | 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 37 | -9;1-1-28;2-1-2;2-1-3;2-1-11;..7 |
88e40 | 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b | .#...3;1-2-3;2-1-1;2-1-9;2-1-11; |
88e60 | 32 2d 31 2d 32 38 3b 00 02 38 00 1c 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d | 2-1-28;..8.....28;1-1-2;1-1-3;2- |
88e80 | 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 39 00 1c 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b | 2-3;2-2-9;..9.....2;1-1-3;1-1-9; |
88ea0 | 31 2d 31 2d 32 38 3b 32 2d 33 2d 33 3b 00 02 31 30 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d | 1-1-28;2-3-3;..10.....9;1-1-2;2- |
88ec0 | 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 31 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d | 1-3;2-1-28;..11.(...3;1-1-2;1-2- |
88ee0 | 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 | 3;2-2-3;2-2-8;2-1-9;2-1-28;..12. |
88f00 | 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d | !...3;1-2-3;1-1-8;2-1-1;2-1-2;2- |
88f20 | 32 2d 33 3b 00 02 31 33 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | 2-3;..13.....8;1-1-1;1-1-3;2-2-3 |
88f40 | 3b 00 02 31 34 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 35 00 15 00 00 | ;..14.....1;1-1-8;2-1-3;..15.... |
88f60 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 36 00 0f 00 00 00 33 3b | .3;1-2-3;2-2-3;2-1-8;..16.....3; |
88f80 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 1-2-3;2-2-3;..17.....3;1-2-3;2-2 |
88fa0 | 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 38 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b | -3;2-1-8;..18.!...3;1-2-3;1-1-8; |
88fc0 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 39 00 15 00 00 00 38 3b 31 2d 31 | 2-1-1;2-1-2;2-2-3;..19.....8;1-1 |
88fe0 | 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b | -1;1-1-3;2-2-3;..20.....1;1-1-8; |
89000 | 32 2d 31 2d 33 3b 00 02 32 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 | 2-1-3;..21.....1;1-2-1;2-2-1;2-1 |
89020 | 2d 33 3b 00 02 32 32 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 33 00 15 | -3;..22.....1;1-1-1;2-1-1;..23.. |
89040 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 6c 65 | ...1;1-1-1;2-2-1;2-1-3;....smile |
89060 | 73 00 28 00 00 00 43 43 43 28 63 31 6e 6f 63 28 63 31 29 4e 43 28 3d 4f 29 63 31 63 28 4f 43 29 | s.(...CCC(c1noc(c1)NC(=O)c1c(OC) |
89080 | 63 63 63 63 31 4f 43 29 28 43 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 7c 88 7d 46 50 01 | cccc1OC)(CC)C..updated_at.|.}FP. |
890a0 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 94 7a 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at..z}FP....default_f |
890c0 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 77 00 00 00 49 | ingerprint_size......inchi.w...I |
890e0 | 6e 43 68 49 3d 31 53 2f 43 31 38 48 32 34 4e 32 4f 34 2f 63 31 2d 36 2d 31 38 28 33 2c 37 2d 32 | nChI=1S/C18H24N2O4/c1-6-18(3,7-2 |
89100 | 29 31 34 2d 31 31 2d 31 35 28 32 34 2d 32 30 2d 31 34 29 31 39 2d 31 37 28 32 31 29 31 36 2d 31 | )14-11-15(24-20-14)19-17(21)16-1 |
89120 | 32 28 32 32 2d 34 29 39 2d 38 2d 31 30 2d 31 33 28 31 36 29 32 33 2d 35 2f 68 38 2d 31 31 48 2c | 2(22-4)9-8-10-13(16)23-5/h8-11H, |
89140 | 36 2d 37 48 32 2c 31 2d 35 48 33 2c 28 48 2c 31 39 2c 32 31 29 00 00 2d 05 00 00 07 5f 69 64 00 | 6-7H2,1-5H3,(H,19,21)..-...._id. |
89160 | 56 16 24 37 2b 72 ed 30 fb 00 00 53 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V.$7+r.0...S.warnings.......fing |
89180 | 65 72 70 72 69 6e 74 73 00 e1 03 00 00 04 4d 50 32 44 00 d6 03 00 00 02 30 00 0f 00 00 00 31 3b | erprints......MP2D......0.....1; |
891a0 | 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 1-1-8;2-1-3;..1.....8;1-1-1;1-1- |
891c0 | 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 00 22 00 00 00 33 3b 31 2d 31 2d 33 3b 31 | 3;2-1-3;2-1-11;..2."...3;1-1-3;1 |
891e0 | 2d 31 2d 38 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 24 00 00 00 | -1-8;1-1-11;2-1-1;2-2-3;..3.$... |
89200 | 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d | 11;1-2-3;2-1-3;2-1-8;2-1-11;2-1- |
89220 | 32 38 3b 00 02 34 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 | 28;..4.....3;1-2-11;1-1-28;2-1-2 |
89240 | 3b 32 2d 32 2d 33 3b 00 02 35 00 24 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d | ;2-2-3;..5.$...11;1-2-3;2-1-3;2- |
89260 | 31 2d 38 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 36 00 22 00 00 00 33 3b 31 2d 31 2d | 1-8;2-1-11;2-1-28;..6."...3;1-1- |
89280 | 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 16 | 3;1-1-8;1-1-11;2-1-1;2-2-3;..7.. |
892a0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 38 3b 32 2d 32 2d 31 31 3b 00 02 38 00 1c 00 00 00 | ...3;1-2-3;2-2-8;2-2-11;..8..... |
892c0 | 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 39 00 0f | 8;1-1-1;1-1-3;2-1-3;2-1-11;..9.. |
892e0 | 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 30 00 24 00 00 00 32 38 3b 31 2d 31 | ...1;1-1-8;2-1-3;..10.$...28;1-1 |
89300 | 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 31 | -2;1-1-3;2-1-9;2-2-11;2-1-28;..1 |
89320 | 31 00 1d 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 32 2d 32 38 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 | 1.....2;1-1-9;1-2-28;2-1-3;2-1-3 |
89340 | 30 3b 00 02 31 32 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 31 33 00 24 | 0;..12.....9;1-1-2;2-2-28;..13.$ |
89360 | 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 31 3b 32 2d 33 2d 39 3b 32 | ...28;1-1-2;1-1-30;2-1-1;2-3-9;2 |
89380 | 2d 31 2d 32 38 3b 00 02 31 34 00 23 00 00 00 33 30 3b 31 2d 31 2d 31 3b 31 2d 32 2d 39 3b 31 2d | -1-28;..14.#...30;1-1-1;1-2-9;1- |
893a0 | 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 35 00 1d 00 00 00 39 3b 31 2d 31 2d | 1-28;2-1-2;2-1-3;..15.....9;1-1- |
893c0 | 33 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 36 00 1d 00 00 00 39 | 30;2-1-1;2-1-9;2-1-28;..16.....9 |
893e0 | 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 37 00 | ;1-1-30;2-1-1;2-1-9;2-1-28;..17. |
89400 | 23 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 33 30 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 32 | #...1;1-1-3;1-1-30;2-2-3;2-2-9;2 |
89420 | 2d 31 2d 32 38 3b 00 02 31 38 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 | -1-28;..18."...3;1-1-1;1-2-3;2-1 |
89440 | 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 | -2;2-2-3;2-1-30;..19.....3;1-2-3 |
89460 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-1-1;2-2-3;..20.....3;1-2-3;2- |
89480 | 32 2d 33 3b 00 02 32 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 32 00 | 2-3;..21.....3;1-2-3;2-2-3;..22. |
894a0 | 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 33 00 27 00 00 | ....3;1-2-3;2-1-2;2-2-3;..23.'.. |
894c0 | 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 | .3;1-1-2;1-2-3;2-1-1;2-2-3;2-1-8 |
894e0 | 3b 32 2d 31 2d 39 3b 00 02 32 34 00 21 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d | ;2-1-9;..24.!...2;1-1-3;1-1-8;1- |
89500 | 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 35 00 15 00 00 00 39 3b 31 2d 31 2d 32 | 1-9;2-1-1;2-2-3;..25.....9;1-1-2 |
89520 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 36 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d | ;2-1-3;2-1-8;..26.....8;1-1-1;1- |
89540 | 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 37 00 0f 00 00 00 31 3b 31 2d 31 2d 38 | 1-2;2-1-3;2-1-9;..27.....1;1-1-8 |
89560 | 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 31 00 00 00 43 4f 63 31 6e 63 28 6e 63 28 | ;2-1-2;....smiles.1...COc1nc(nc( |
89580 | 63 31 29 4f 43 29 4e 43 28 3d 4f 29 4e 53 28 3d 4f 29 28 3d 4f 29 43 63 31 63 63 63 63 63 31 43 | c1)OC)NC(=O)NS(=O)(=O)Cc1ccccc1C |
895a0 | 28 3d 4f 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 7f 88 7d 46 50 01 00 00 09 63 72 65 61 | (=O)OC..updated_at...}FP....crea |
895c0 | 74 65 64 5f 61 74 00 9d 7a 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at..z}FP....default_fingerpr |
895e0 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 8b 00 00 00 49 6e 43 68 49 3d 31 53 | int_size......inchi.....InChI=1S |
89600 | 2f 43 31 36 48 31 38 4e 34 4f 37 53 2f 63 31 2d 32 35 2d 31 32 2d 38 2d 31 33 28 32 36 2d 32 29 | /C16H18N4O7S/c1-25-12-8-13(26-2) |
89620 | 31 38 2d 31 35 28 31 37 2d 31 32 29 31 39 2d 31 36 28 32 32 29 32 30 2d 32 38 28 32 33 2c 32 34 | 18-15(17-12)19-16(22)20-28(23,24 |
89640 | 29 39 2d 31 30 2d 36 2d 34 2d 35 2d 37 2d 31 31 28 31 30 29 31 34 28 32 31 29 32 37 2d 33 2f 68 | )9-10-6-4-5-7-11(10)14(21)27-3/h |
89660 | 34 2d 38 48 2c 39 48 32 2c 31 2d 33 48 33 2c 28 48 32 2c 31 37 2c 31 38 2c 31 39 2c 32 30 2c 32 | 4-8H,9H2,1-3H3,(H2,17,18,19,20,2 |
89680 | 32 29 00 00 a9 03 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 54 04 77 61 72 6e 69 6e | 2)......._id.V.$7+r.0...T.warnin |
896a0 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a2 02 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
896c0 | 97 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 | .....0.....1;1-1-1;2-1-8;..1.... |
896e0 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 32 00 1b 00 00 00 38 3b 31 | .1;1-1-1;1-1-8;2-1-2;..2.....8;1 |
89700 | 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 1b 00 00 00 32 | -1-1;1-1-2;2-2-1;2-1-9;..3.....2 |
89720 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 00 02 34 00 15 00 00 | ;1-1-1;1-1-8;1-1-9;2-2-1;..4.... |
89740 | 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 28 00 00 00 31 3b 31 | .9;1-1-2;2-1-1;2-1-8;..5.(...1;1 |
89760 | 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 | -1-1;1-1-2;2-1-2;2-1-8;2-1-9;2-1 |
89780 | 2d 31 30 3b 00 02 36 00 2f 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 30 | -10;..6./...1;1-1-1;1-1-2;1-1-10 |
897a0 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 32 3b 00 02 37 00 22 00 | ;2-1-2;2-1-8;2-1-9;2-1-12;..7.". |
897c0 | 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d | ..2;1-1-1;1-1-8;1-1-9;2-2-1;2-1- |
897e0 | 31 30 3b 00 02 38 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 | 10;..8.....9;1-1-2;2-1-1;2-1-8;. |
89800 | 02 39 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 | .9.....8;1-1-1;1-1-2;2-2-1;2-1-9 |
89820 | 3b 00 02 31 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 | ;..10.....1;1-1-1;1-1-8;2-1-2;.. |
89840 | 31 31 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 32 00 2a 00 00 00 31 30 | 11.....1;1-1-1;2-1-8;..12.*...10 |
89860 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 38 3b | ;1-1-1;1-1-12;2-1-1;2-1-2;2-2-8; |
89880 | 32 2d 31 2d 31 38 3b 00 02 31 33 00 1e 00 00 00 31 32 3b 31 2d 32 2d 38 3b 31 2d 31 2d 31 30 3b | 2-1-18;..13.....12;1-2-8;1-1-10; |
898a0 | 31 2d 31 2d 31 38 3b 32 2d 33 2d 31 3b 00 02 31 34 00 18 00 00 00 31 38 3b 31 2d 31 2d 31 32 3b | 1-1-18;2-3-1;..14.....18;1-1-12; |
898c0 | 32 2d 32 2d 38 3b 32 2d 31 2d 31 30 3b 00 02 31 35 00 24 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d | 2-2-8;2-1-10;..15.$...8;1-1-1;1- |
898e0 | 31 2d 31 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 31 36 00 10 00 | 1-12;2-1-8;2-1-10;2-1-18;..16... |
89900 | 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 37 00 24 00 00 00 38 3b 31 2d 31 2d | ..1;1-1-8;2-1-12;..17.$...8;1-1- |
89920 | 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 31 | 1;1-1-12;2-1-8;2-1-10;2-1-18;..1 |
89940 | 38 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 | 8.....1;1-1-8;2-1-12;....smiles. |
89960 | 21 00 00 00 43 43 4f 43 28 3d 4f 29 43 43 28 43 28 3d 4f 29 4f 43 43 29 53 50 28 3d 53 29 28 4f | !...CCOC(=O)CC(C(=O)OCC)SP(=S)(O |
89980 | 43 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 0e 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 | C)OC..updated_at...}FP....create |
899a0 | 64 5f 61 74 00 a4 7a 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at..z}FP....default_fingerprin |
899c0 | 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 56 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.V...InChI=1S/C |
899e0 | 31 30 48 31 39 4f 36 50 53 32 2f 63 31 2d 35 2d 31 35 2d 39 28 31 31 29 37 2d 38 28 31 30 28 31 | 10H19O6PS2/c1-5-15-9(11)7-8(10(1 |
89a00 | 32 29 31 36 2d 36 2d 32 29 31 39 2d 31 37 28 31 38 2c 31 33 2d 33 29 31 34 2d 34 2f 68 38 48 2c | 2)16-6-2)19-17(18,13-3)14-4/h8H, |
89a20 | 35 2d 37 48 32 2c 31 2d 34 48 33 00 00 ae 01 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 | 5-7H2,1-4H3......._id.V.$7+r.0.. |
89a40 | 00 55 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 df | .U.warnings.......fingerprints.. |
89a60 | 00 00 00 04 4d 50 32 44 00 d4 00 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 33 31 3b 32 2d 33 | ....MP2D......0.....1;1-1-31;2-3 |
89a80 | 2d 31 3b 00 02 31 00 10 00 00 00 33 31 3b 31 2d 34 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 00 10 00 | -1;..1.....31;1-4-1;2-2-1;..2... |
89aa0 | 00 00 31 3b 31 2d 31 2d 33 31 3b 32 2d 33 2d 31 3b 00 02 33 00 16 00 00 00 31 3b 31 2d 31 2d 31 | ..1;1-1-31;2-3-1;..3.....1;1-1-1 |
89ac0 | 3b 31 2d 31 2d 33 31 3b 32 2d 34 2d 31 3b 00 02 34 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d | ;1-1-31;2-4-1;..4.....1;1-2-1;2- |
89ae0 | 31 2d 31 3b 32 2d 31 2d 33 31 3b 00 02 35 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 | 1-1;2-1-31;..5.....1;1-2-1;2-2-1 |
89b00 | 3b 00 02 36 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 31 3b 00 02 | ;..6.....1;1-2-1;2-1-1;2-1-31;.. |
89b20 | 37 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 31 3b 32 2d 34 2d 31 3b 00 00 00 02 73 | 7.....1;1-1-1;1-1-31;2-4-1;....s |
89b40 | 6d 69 6c 65 73 00 0f 00 00 00 43 5b 4e 5d 31 28 43 29 43 43 43 43 43 31 00 09 75 70 64 61 74 65 | miles.....C[N]1(C)CCCCC1..update |
89b60 | 64 5f 61 74 00 83 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ab 7a 7d 46 50 01 00 | d_at...}FP....created_at..z}FP.. |
89b80 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 | ..default_fingerprint_size...... |
89ba0 | 69 6e 63 68 69 00 30 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 31 36 4e 2f 63 31 2d 38 28 32 | inchi.0...InChI=1S/C7H16N/c1-8(2 |
89bc0 | 29 36 2d 34 2d 33 2d 35 2d 37 2d 38 2f 68 33 2d 37 48 32 2c 31 2d 32 48 33 00 00 09 03 00 00 07 | )6-4-3-5-7-8/h3-7H2,1-2H3....... |
89be0 | 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 56 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V.$7+r.0...V.warnings....... |
89c00 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 15 02 00 00 04 4d 50 32 44 00 0a 02 00 00 02 30 00 0f 00 | fingerprints......MP2D......0... |
89c20 | 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b | ..1;1-1-1;2-1-1;..1.....1;1-2-1; |
89c40 | 32 2d 31 2d 31 3b 00 02 32 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d | 2-1-1;..2.....1;1-2-1;2-1-1;2-1- |
89c60 | 31 30 3b 00 02 33 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b | 10;..3.....1;1-1-1;1-1-10;2-1-1; |
89c80 | 32 2d 31 2d 31 32 3b 00 02 34 00 24 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 | 2-1-12;..4.$...10;1-1-1;1-1-12;2 |
89ca0 | 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 30 3b 00 02 35 00 17 00 00 00 31 32 3b 31 2d 31 | -1-1;2-1-9;2-2-10;..5.....12;1-1 |
89cc0 | 2d 39 3b 31 2d 33 2d 31 30 3b 32 2d 33 2d 31 3b 00 02 36 00 11 00 00 00 39 3b 31 2d 31 2d 31 32 | -9;1-3-10;2-3-1;..6.....9;1-1-12 |
89ce0 | 3b 32 2d 33 2d 31 30 3b 00 02 37 00 24 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b | ;2-3-10;..7.$...10;1-1-1;1-1-12; |
89d00 | 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 30 3b 00 02 38 00 1d 00 00 00 31 3b 31 2d 31 | 2-1-1;2-1-9;2-2-10;..8.....1;1-1 |
89d20 | 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 32 3b 00 02 39 00 16 00 00 00 31 | -1;1-1-10;2-1-1;2-1-12;..9.....1 |
89d40 | 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 31 30 00 0f 00 00 00 31 3b 31 | ;1-2-1;2-1-1;2-1-10;..10.....1;1 |
89d60 | 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 31 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d | -2-1;2-1-1;..11.....1;1-1-1;2-1- |
89d80 | 31 3b 00 02 31 32 00 24 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 | 1;..12.$...10;1-1-1;1-1-12;2-1-1 |
89da0 | 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 30 3b 00 02 31 33 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | ;2-1-9;2-2-10;..13.....1;1-1-1;1 |
89dc0 | 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 32 3b 00 02 31 34 00 16 00 00 00 31 3b 31 2d | -1-10;2-1-1;2-1-12;..14.....1;1- |
89de0 | 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 31 35 00 0f 00 00 00 31 3b 31 2d 32 2d | 2-1;2-1-1;2-1-10;..15.....1;1-2- |
89e00 | 31 3b 32 2d 31 2d 31 3b 00 02 31 36 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 | 1;2-1-1;..16.....1;1-1-1;2-1-1;. |
89e20 | 00 00 02 73 6d 69 6c 65 73 00 17 00 00 00 43 43 43 43 53 50 28 3d 4f 29 28 53 43 43 43 43 29 53 | ...smiles.....CCCCSP(=O)(SCCCC)S |
89e40 | 43 43 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 85 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 | CCCC..updated_at...}FP....create |
89e60 | 64 5f 61 74 00 b1 7a 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at..z}FP....default_fingerprin |
89e80 | 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 4d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.M...InChI=1S/C |
89ea0 | 31 32 48 32 37 4f 50 53 33 2f 63 31 2d 34 2d 37 2d 31 30 2d 31 35 2d 31 34 28 31 33 2c 31 36 2d | 12H27OPS3/c1-4-7-10-15-14(13,16- |
89ec0 | 31 31 2d 38 2d 35 2d 32 29 31 37 2d 31 32 2d 39 2d 36 2d 33 2f 68 34 2d 31 32 48 32 2c 31 2d 33 | 11-8-5-2)17-12-9-6-3/h4-12H2,1-3 |
89ee0 | 48 33 00 00 b8 03 00 00 07 5f 69 64 00 56 16 24 37 2b 72 ed 30 fb 00 00 57 04 77 61 72 6e 69 6e | H3......._id.V.$7+r.0...W.warnin |
89f00 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a8 02 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
89f20 | 9d 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 | .....0.....1;1-1-8;2-1-1;..1.... |
89f40 | 00 38 3b 31 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 22 00 00 00 31 3b 31 2d 31 2d 32 3b 31 | .8;1-2-1;2-1-2;..2."...1;1-1-2;1 |
89f60 | 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 33 00 28 00 00 00 | -1-8;2-1-1;2-1-9;2-1-28;..3.(... |
89f80 | 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 | 2;1-1-1;1-1-9;1-1-28;2-1-1;2-1-3 |
89fa0 | 3b 32 2d 31 2d 38 3b 00 02 34 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 | ;2-1-8;..4.....9;1-1-2;2-1-1;2-1 |
89fc0 | 2d 32 38 3b 00 02 35 00 2e 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 | -28;..5.....28;1-1-1;1-1-2;1-1-3 |
89fe0 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 36 00 22 00 00 | ;2-2-1;2-1-2;2-2-3;2-1-9;..6.".. |
8a000 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d | .3;1-2-3;1-1-28;2-3-1;2-1-2;2-2- |
8a020 | 33 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | 3;..7.....3;1-1-1;1-2-3;2-2-3;2- |
8a040 | 31 2d 32 38 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 15 | 1-28;..8.....1;1-1-3;2-2-3;..9.. |
8a060 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 0f 00 00 00 | ...3;1-2-3;2-1-1;2-2-3;..10..... |
8a080 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-2-3;2-2-3;..11.....3;1-2-3;2 |
8a0a0 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 32 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d | -1-1;2-2-3;..12.....3;1-1-1;1-2- |
8a0c0 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b | 3;2-2-3;2-1-28;..13.....1;1-1-3; |
8a0e0 | 32 2d 32 2d 33 3b 00 02 31 34 00 2e 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 | 2-2-3;..14.....1;1-1-1;1-1-2;1-1 |
8a100 | 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 35 | -28;2-1-2;2-1-3;2-1-8;2-1-9;..15 |
8a120 | 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 | ."...2;1-1-1;1-1-8;1-1-9;2-2-1;2 |
8a140 | 2d 31 2d 32 38 3b 00 02 31 36 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 | -1-28;..16.....9;1-1-2;2-1-1;2-1 |
8a160 | 2d 38 3b 00 02 31 37 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b | -8;..17.....8;1-1-1;1-1-2;2-1-1; |
8a180 | 32 2d 31 2d 39 3b 00 02 31 38 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 31 | 2-1-9;..18.....1;1-1-8;2-1-2;..1 |
8a1a0 | 39 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 | 9.....1;1-1-1;2-1-2;2-1-28;....s |
8a1c0 | 6d 69 6c 65 73 00 23 00 00 00 43 4f 43 43 28 3d 4f 29 4e 28 63 31 63 28 43 29 63 63 63 63 31 43 | miles.#...COCC(=O)N(c1c(C)cccc1C |
8a1e0 | 29 43 28 43 28 3d 4f 29 4f 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 87 88 7d 46 50 01 00 | )C(C(=O)OC)C..updated_at...}FP.. |
8a200 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 b9 7a 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at..z}FP....default_fi |
8a220 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 5d 00 00 00 49 6e | ngerprint_size......inchi.]...In |
8a240 | 43 68 49 3d 31 53 2f 43 31 35 48 32 31 4e 4f 34 2f 63 31 2d 31 30 2d 37 2d 36 2d 38 2d 31 31 28 | ChI=1S/C15H21NO4/c1-10-7-6-8-11( |
8a260 | 32 29 31 34 28 31 30 29 31 36 28 31 33 28 31 37 29 39 2d 31 39 2d 34 29 31 32 28 33 29 31 35 28 | 2)14(10)16(13(17)9-19-4)12(3)15( |
8a280 | 31 38 29 32 30 2d 35 2f 68 36 2d 38 2c 31 32 48 2c 39 48 32 2c 31 2d 35 48 33 00 00 3c 02 00 00 | 18)20-5/h6-8,12H,9H2,1-5H3..<... |
8a2a0 | 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 58 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V.$8+r.0...X.warnings...... |
8a2c0 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 62 01 00 00 04 4d 50 32 44 00 57 01 00 00 02 30 00 10 | .fingerprints.b....MP2D.W....0.. |
8a2e0 | 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 00 02 31 00 1c 00 00 00 32 38 3b 31 2d 31 | ...1;1-1-28;2-1-2;..1.....28;1-1 |
8a300 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 00 22 00 00 00 32 3b 31 | -1;1-1-2;2-1-8;2-1-9;..2."...2;1 |
8a320 | 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 | -1-8;1-1-9;1-1-28;2-1-1;2-1-6;.. |
8a340 | 33 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 34 00 22 | 3.....9;1-1-2;2-1-8;2-1-28;..4." |
8a360 | 00 00 00 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 | ...8;1-1-2;1-1-6;2-1-2;2-1-9;2-1 |
8a380 | 2d 32 38 3b 00 02 35 00 22 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b | -28;..5."...6;1-1-2;1-1-8;2-1-1; |
8a3a0 | 32 2d 31 2d 32 3b 32 2d 31 2d 31 30 3b 00 02 36 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-1-2;2-1-10;..6."...2;1-1-1;1-1 |
8a3c0 | 2d 36 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 37 00 1c 00 00 00 31 30 | -6;1-1-10;2-1-1;2-1-8;..7.....10 |
8a3e0 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 38 00 10 00 00 | ;1-1-1;1-1-2;2-1-1;2-1-6;..8.... |
8a400 | 00 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 00 02 39 00 16 00 00 00 31 3b 31 2d 31 2d 32 3b | .1;1-1-10;2-1-2;..9.....1;1-1-2; |
8a420 | 32 2d 31 2d 36 3b 32 2d 31 2d 31 30 3b 00 00 00 02 73 6d 69 6c 65 73 00 11 00 00 00 43 4e 43 28 | 2-1-6;2-1-10;....smiles.....CNC( |
8a440 | 3d 4f 29 4f 4e 3d 43 28 53 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 30 8c 7d 46 50 01 00 | =O)ON=C(SC)C..updated_at.0.}FP.. |
8a460 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 c3 7a 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at..z}FP....default_fi |
8a480 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 39 00 00 00 49 6e | ngerprint_size......inchi.9...In |
8a4a0 | 43 68 49 3d 31 53 2f 43 35 48 31 30 4e 32 4f 32 53 2f 63 31 2d 34 28 31 30 2d 33 29 37 2d 39 2d | ChI=1S/C5H10N2O2S/c1-4(10-3)7-9- |
8a4c0 | 35 28 38 29 36 2d 32 2f 68 31 2d 33 48 33 2c 28 48 2c 36 2c 38 29 00 00 f9 02 00 00 07 5f 69 64 | 5(8)6-2/h1-3H3,(H,6,8)......._id |
8a4e0 | 00 56 16 24 38 2b 72 ed 30 fb 00 00 59 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V.$8+r.0...Y.warnings.......fin |
8a500 | 67 65 72 70 72 69 6e 74 73 00 01 02 00 00 04 4d 50 32 44 00 f6 01 00 00 02 30 00 10 00 00 00 31 | gerprints......MP2D......0.....1 |
8a520 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 00 1d 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d | ;1-1-8;2-1-12;..1.....8;1-1-1;1- |
8a540 | 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 32 00 1d 00 00 00 31 32 3b 31 2d 33 | 1-12;2-2-8;2-1-18;..2.....12;1-3 |
8a560 | 2d 38 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 00 11 00 00 00 31 38 | -8;1-1-18;2-2-1;2-1-3;..3.....18 |
8a580 | 3b 31 2d 31 2d 31 32 3b 32 2d 33 2d 38 3b 00 02 34 00 23 00 00 00 38 3b 31 2d 31 2d 33 3b 31 2d | ;1-1-12;2-3-8;..4.#...8;1-1-3;1- |
8a5a0 | 31 2d 31 32 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 35 00 1c 00 00 00 | 1-12;2-2-3;2-2-8;2-1-18;..5..... |
8a5c0 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 32 3b 00 02 36 00 15 | 3;1-2-3;1-1-8;2-2-3;2-1-12;..6.. |
8a5e0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 16 00 00 00 33 | ...3;1-2-3;2-2-3;2-1-8;..7.....3 |
8a600 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 38 00 1c 00 00 00 33 3b 31 2d | ;1-2-3;2-2-3;2-1-19;..8.....3;1- |
8a620 | 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 39 00 16 00 00 00 33 | 2-3;1-1-19;2-2-3;2-2-9;..9.....3 |
8a640 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 15 00 00 00 33 3b 31 | ;1-2-3;2-2-3;2-1-19;..10.....3;1 |
8a660 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 31 00 16 00 00 00 31 39 3b 31 2d 31 | -2-3;2-2-3;2-1-8;..11.....19;1-1 |
8a680 | 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 31 32 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 | -3;1-2-9;2-2-3;..12.....9;1-1-19 |
8a6a0 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 33 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 | ;2-1-3;2-1-9;..13.....9;1-1-19;2 |
8a6c0 | 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 34 00 1d 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -1-3;2-1-9;..14.....8;1-1-1;1-1- |
8a6e0 | 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 31 35 00 10 00 00 00 31 3b 31 2d 31 2d 38 | 12;2-2-8;2-1-18;..15.....1;1-1-8 |
8a700 | 3b 32 2d 31 2d 31 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 1e 00 00 00 43 4f 50 28 3d 53 29 28 4f | ;2-1-12;....smiles.....COP(=S)(O |
8a720 | 63 31 63 63 63 28 63 63 31 29 4e 28 3d 4f 29 3d 4f 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 | c1ccc(cc1)N(=O)=O)OC..updated_at |
8a740 | 00 8c 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ca 7a 7d 46 50 01 00 00 10 64 65 | ...}FP....created_at..z}FP....de |
8a760 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 | fault_fingerprint_size......inch |
8a780 | 69 00 4a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 31 30 4e 4f 35 50 53 2f 63 31 2d 31 32 2d | i.J...InChI=1S/C8H10NO5PS/c1-12- |
8a7a0 | 31 35 28 31 36 2c 31 33 2d 32 29 31 34 2d 38 2d 35 2d 33 2d 37 28 34 2d 36 2d 38 29 39 28 31 30 | 15(16,13-2)14-8-5-3-7(4-6-8)9(10 |
8a7c0 | 29 31 31 2f 68 33 2d 36 48 2c 31 2d 32 48 33 00 00 f8 02 00 00 07 5f 69 64 00 56 16 24 38 2b 72 | )11/h3-6H,1-2H3......._id.V.$8+r |
8a7e0 | ed 30 fb 00 00 5a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .0...Z.warnings.......fingerprin |
8a800 | 74 73 00 0c 02 00 00 04 4d 50 32 44 00 01 02 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 30 | ts......MP2D......0.....1;1-1-10 |
8a820 | 3b 32 2d 31 2d 33 3b 00 02 31 00 17 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d | ;2-1-3;..1.....10;1-1-1;1-1-3;2- |
8a840 | 32 2d 31 31 3b 00 02 32 00 2a 00 00 00 33 3b 31 2d 31 2d 31 30 3b 31 2d 32 2d 31 31 3b 32 2d 31 | 2-11;..2.*...3;1-1-10;1-2-11;2-1 |
8a860 | 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 35 3b 32 2d 31 2d 31 31 3b 00 02 33 00 25 00 00 00 31 31 | -1;2-1-3;2-1-5;2-1-11;..3.%...11 |
8a880 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 | ;1-1-3;1-1-11;2-1-3;2-1-10;2-1-1 |
8a8a0 | 31 3b 00 02 34 00 1d 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b | 1;..4.....11;1-1-3;1-1-11;2-1-1; |
8a8c0 | 32 2d 32 2d 33 3b 00 02 35 00 29 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d | 2-2-3;..5.)...3;1-1-1;1-1-3;1-1- |
8a8e0 | 31 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 31 3b 00 02 36 00 2f 00 00 00 33 3b | 11;2-3-1;2-1-9;2-2-11;..6./...3; |
8a900 | 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 | 1-1-3;1-1-9;1-1-11;2-1-1;2-1-3;2 |
8a920 | 2d 31 2d 35 3b 32 2d 31 2d 31 31 3b 00 02 37 00 16 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 31 2d | -1-5;2-1-11;..7.....9;1-1-3;2-1- |
8a940 | 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 2a 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 35 3b | 3;2-1-11;..8.*...11;1-2-3;1-1-5; |
8a960 | 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 31 3b 00 02 39 00 10 00 | 2-1-3;2-1-9;2-1-10;2-1-11;..9... |
8a980 | 00 00 35 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 1c 00 00 00 31 3b 31 2d 33 2d | ..5;1-1-11;2-2-3;..10.....1;1-3- |
8a9a0 | 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 15 00 00 00 31 3b | 1;1-1-3;2-1-3;2-1-11;..11.....1; |
8a9c0 | 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 32 00 15 00 00 00 31 3b 31 2d 31 | 1-1-1;2-2-1;2-1-3;..12.....1;1-1 |
8a9e0 | 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 33 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b | -1;2-2-1;2-1-3;..13.....1;1-1-1; |
8aa00 | 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1a 00 00 00 43 53 63 31 6e | 2-2-1;2-1-3;....smiles.....CSc1n |
8aa20 | 6e 63 28 63 28 3d 4f 29 6e 31 4e 29 43 28 43 29 28 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 | nc(c(=O)n1N)C(C)(C)C..updated_at |
8aa40 | 00 8e 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d1 7a 7d 46 50 01 00 00 10 64 65 | ...}FP....created_at..z}FP....de |
8aa60 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 | fault_fingerprint_size......inch |
8aa80 | 69 00 42 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 31 34 4e 34 4f 53 2f 63 31 2d 38 28 32 2c | i.B...InChI=1S/C8H14N4OS/c1-8(2, |
8aaa0 | 33 29 35 2d 36 28 31 33 29 31 32 28 39 29 37 28 31 34 2d 34 29 31 31 2d 31 30 2d 35 2f 68 39 48 | 3)5-6(13)12(9)7(14-4)11-10-5/h9H |
8aac0 | 32 2c 31 2d 34 48 33 00 00 ba 02 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 5b 04 77 | 2,1-4H3......._id.V.$8+r.0...[.w |
8aae0 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 cd 01 00 00 04 | arnings.......fingerprints...... |
8ab00 | 4d 50 32 44 00 c2 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 | MP2D......0.....1;1-1-8;2-1-12;. |
8ab20 | 02 31 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d | .1.....8;1-1-1;1-1-12;2-2-8;2-1- |
8ab40 | 39 3b 00 02 32 00 16 00 00 00 31 32 3b 31 2d 33 2d 38 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b 00 | 9;..2.....12;1-3-8;1-1-9;2-3-1;. |
8ab60 | 02 33 00 10 00 00 00 39 3b 31 2d 31 2d 31 32 3b 32 2d 33 2d 38 3b 00 02 34 00 29 00 00 00 38 3b | .3.....9;1-1-12;2-3-8;..4.)...8; |
8ab80 | 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 32 | 1-1-1;1-1-12;2-1-1;2-2-8;2-1-9;2 |
8aba0 | 2d 31 2d 31 34 3b 00 02 35 00 2b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d | -1-14;..5.+...1;1-1-1;1-1-8;1-1- |
8abc0 | 31 34 3b 32 2d 31 2d 31 32 3b 32 2d 31 2d 31 34 3b 32 2d 32 2d 31 35 3b 00 02 36 00 24 00 00 00 | 14;2-1-12;2-1-14;2-2-15;..6.$... |
8abe0 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 34 3b 31 2d 32 2d 31 35 3b 32 2d 31 2d 38 3b 32 2d 31 2d | 1;1-1-1;1-1-14;1-2-15;2-1-8;2-1- |
8ac00 | 31 34 3b 00 02 37 00 17 00 00 00 31 34 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 35 | 14;..7.....14;1-1-1;2-1-1;2-2-15 |
8ac20 | 3b 00 02 38 00 1e 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 34 3b 32 | ;..8.....15;1-1-1;2-1-1;2-1-14;2 |
8ac40 | 2d 31 2d 31 35 3b 00 02 39 00 1e 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 | -1-15;..9.....15;1-1-1;2-1-1;2-1 |
8ac60 | 2d 31 34 3b 32 2d 31 2d 31 35 3b 00 02 31 30 00 16 00 00 00 31 34 3b 31 2d 31 2d 31 3b 32 2d 31 | -14;2-1-15;..10.....14;1-1-1;2-1 |
8ac80 | 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 31 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 | -1;2-1-8;..11.....8;1-1-1;1-1-12 |
8aca0 | 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 32 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d | ;2-2-8;2-1-9;..12.....1;1-1-8;2- |
8acc0 | 31 2d 31 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 1d 00 00 00 43 4f 50 28 3d 4f 29 28 4f 43 28 43 | 1-12;....smiles.....COP(=O)(OC(C |
8ace0 | 28 42 72 29 28 43 6c 29 43 6c 29 42 72 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 90 88 7d | (Br)(Cl)Cl)Br)OC..updated_at...} |
8ad00 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d8 7a 7d 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at..z}FP....defaul |
8ad20 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 40 00 | t_fingerprint_size......inchi.@. |
8ad40 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 37 42 72 32 43 6c 32 4f 34 50 2f 63 31 2d 31 30 2d 31 | ..InChI=1S/C4H7Br2Cl2O4P/c1-10-1 |
8ad60 | 33 28 39 2c 31 31 2d 32 29 31 32 2d 33 28 35 29 34 28 36 2c 37 29 38 2f 68 33 48 2c 31 2d 32 48 | 3(9,11-2)12-3(5)4(6,7)8/h3H,1-2H |
8ad80 | 33 00 00 24 08 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 5c 04 77 61 72 6e 69 6e 67 | 3..$...._id.V.$8+r.0...\.warning |
8ada0 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 40 06 00 00 04 4d 50 32 44 00 35 | s.......fingerprints.@....MP2D.5 |
8adc0 | 06 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 00 15 00 00 00 | ....0.....8;1-1-1;2-2-1;..1..... |
8ade0 | 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 00 02 32 00 15 00 00 00 31 3b 31 2d | 1;1-2-1;1-1-8;2-2-1;..2.....1;1- |
8ae00 | 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 33 2d 38 3b 00 02 33 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b | 2-1;2-2-1;2-3-8;..3.....1;1-2-1; |
8ae20 | 31 2d 32 2d 38 3b 32 2d 33 2d 31 3b 00 02 34 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d | 1-2-8;2-3-1;..4.....8;1-1-1;2-2- |
8ae40 | 31 3b 32 2d 31 2d 38 3b 00 02 35 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d | 1;2-1-8;..5.....1;1-2-1;2-2-1;2- |
8ae60 | 33 2d 38 3b 00 02 36 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b | 3-8;..6.....1;1-2-1;1-1-8;2-2-1; |
8ae80 | 32 2d 31 2d 32 3b 00 02 37 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 38 00 | 2-1-2;..7.....8;1-1-1;2-2-1;..8. |
8aea0 | 22 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 32 2d 38 3b 32 2d | "...1;1-2-1;1-1-2;2-3-1;2-2-8;2- |
8aec0 | 32 2d 33 32 3b 00 02 39 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 | 2-32;..9.....1;1-3-1;1-1-8;2-3-1 |
8aee0 | 3b 32 2d 31 2d 32 3b 00 02 31 30 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 35 2d 31 3b 32 2d | ;2-1-2;..10.....8;1-2-1;2-5-1;2- |
8af00 | 31 2d 38 3b 00 02 31 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 | 1-8;..11.....1;1-1-1;2-2-1;2-1-8 |
8af20 | 3b 00 02 31 32 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d | ;..12.....1;1-2-1;2-2-1;2-1-2;2- |
8af40 | 32 2d 38 3b 00 02 31 33 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 | 2-8;..13.!...1;1-1-1;1-1-2;1-1-8 |
8af60 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 34 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d | ;2-2-1;2-1-2;..14.!...2;1-1-1;1- |
8af80 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 35 00 15 00 00 00 32 | 1-2;2-1-1;2-1-2;2-1-8;..15.....2 |
8afa0 | 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 36 00 0f 00 00 00 32 3b 31 2d | ;1-2-2;2-1-1;2-1-2;..16.....2;1- |
8afc0 | 32 2d 32 3b 32 2d 32 2d 32 3b 00 02 31 37 00 0f 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 32 2d 32 | 2-2;2-2-2;..17.....2;1-2-2;2-2-2 |
8afe0 | 3b 00 02 31 38 00 0f 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 32 2d 32 3b 00 02 31 39 00 0f 00 00 | ;..18.....2;1-2-2;2-2-2;..19.... |
8b000 | 00 32 3b 31 2d 32 2d 32 3b 32 2d 32 2d 32 3b 00 02 32 30 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b | .2;1-2-2;2-2-2;..20.....2;1-2-2; |
8b020 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 31 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-1-1;2-1-2;..21.....2;1-1-1;1-1 |
8b040 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 32 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b | -2;2-1-1;2-1-2;..22.!...1;1-1-1; |
8b060 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 33 00 15 00 00 | 1-1-2;2-1-1;2-1-2;2-1-8;..23.... |
8b080 | 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 32 3b 00 02 32 34 00 21 00 00 00 38 3b | .1;1-2-1;1-1-8;2-2-2;..24.!...8; |
8b0a0 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 | 1-1-1;1-1-2;2-2-1;2-1-2;2-1-9;.. |
8b0c0 | 32 35 00 21 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 | 25.!...2;1-1-2;1-1-8;1-1-9;2-1-1 |
8b0e0 | 3b 32 2d 31 2d 32 3b 00 02 32 36 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d | ;2-1-2;..26.....9;1-1-2;2-1-2;2- |
8b100 | 31 2d 38 3b 00 02 32 37 00 1b 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 | 1-8;..27.....2;1-2-2;2-1-1;2-1-8 |
8b120 | 3b 32 2d 31 2d 39 3b 00 02 32 38 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d | ;2-1-9;..28.!...2;1-1-1;1-1-2;2- |
8b140 | 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 39 00 27 00 00 00 31 3b 31 2d 31 2d 31 | 1-1;2-1-2;2-1-8;..29.'...1;1-1-1 |
8b160 | 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 | ;1-1-2;1-1-8;2-3-1;2-1-2;2-1-8;. |
8b180 | 02 33 30 00 21 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d | .30.!...1;1-3-1;1-1-8;2-2-1;2-1- |
8b1a0 | 32 3b 32 2d 31 2d 38 3b 00 02 33 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 | 2;2-1-8;..31.....1;1-2-1;2-3-1;2 |
8b1c0 | 2d 32 2d 38 3b 00 02 33 32 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d | -2-8;..32.....1;1-1-1;2-2-1;2-1- |
8b1e0 | 38 3b 00 02 33 33 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 00 | 8;..33.....8;1-2-1;2-4-1;2-1-2;. |
8b200 | 02 33 34 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 35 | .34.....1;1-1-1;2-1-1;2-1-8;..35 |
8b220 | 00 1b 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 | .....8;1-2-1;2-3-1;2-1-2;2-1-8;. |
8b240 | 02 33 36 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 32 2d 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d | .36.....1;1-2-1;1-2-8;2-3-1;2-1- |
8b260 | 38 3b 00 02 33 37 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 00 | 8;..37.....1;1-1-1;2-1-1;2-2-8;. |
8b280 | 02 33 38 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 39 | .38.....8;1-2-1;2-4-1;2-1-8;..39 |
8b2a0 | 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 | .....1;1-2-1;1-1-8;2-2-1;2-1-8;. |
8b2c0 | 02 34 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 31 | .40.....1;1-1-1;2-1-1;2-1-8;..41 |
8b2e0 | 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 32 | .!...1;1-2-1;1-1-8;2-2-1;2-1-5;2 |
8b300 | 2d 31 2d 38 3b 00 02 34 32 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d | -1-8;..42.....1;1-2-1;1-1-5;2-2- |
8b320 | 31 3b 32 2d 32 2d 38 3b 00 02 34 33 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 | 1;2-2-8;..43.!...1;1-2-1;1-1-8;2 |
8b340 | 2d 32 2d 31 3b 32 2d 31 2d 35 3b 32 2d 32 2d 38 3b 00 02 34 34 00 0f 00 00 00 38 3b 31 2d 31 2d | -2-1;2-1-5;2-2-8;..44.....8;1-1- |
8b360 | 31 3b 32 2d 32 2d 31 3b 00 02 34 35 00 0f 00 00 00 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 | 1;2-2-1;..45.....5;1-1-1;2-2-1;. |
8b380 | 02 34 36 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 34 37 00 16 00 00 00 32 | .46.....8;1-1-1;2-2-1;..47.....2 |
8b3a0 | 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 32 2d 31 3b 00 02 34 38 00 17 00 00 00 33 32 3b | ;1-1-1;1-2-32;2-2-1;..48.....32; |
8b3c0 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 34 39 00 17 00 00 00 33 32 3b 31 | 1-1-2;2-1-1;2-1-32;..49.....32;1 |
8b3e0 | 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 60 00 00 | -1-2;2-1-1;2-1-32;....smiles.`.. |
8b400 | 00 4f 43 31 43 43 32 28 4f 29 43 43 28 4f 29 43 28 43 28 4f 32 29 28 43 29 43 43 28 43 3d 43 43 | .OC1CC2(O)CC(O)C(C(O2)(C)CC(C=CC |
8b420 | 3d 43 43 3d 43 43 3d 43 43 43 28 4f 43 28 3d 4f 29 43 3d 43 43 32 43 28 43 31 29 28 43 29 4f 32 | =CC=CC=CCC(OC(=O)C=CC2C(C1)(C)O2 |
8b440 | 29 43 29 4f 43 31 28 43 29 4f 43 28 43 29 43 28 43 28 43 31 4f 29 4e 29 4f 29 43 28 3d 4f 29 4f | )C)OC1(C)OC(C)C(C(C1O)N)O)C(=O)O |
8b460 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 93 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at...}FP....created_at |
8b480 | 00 e4 7a 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | ..z}FP....default_fingerprint_si |
8b4a0 | 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 f4 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 36 48 35 | ze......inchi.....InChI=1S/C36H5 |
8b4c0 | 33 4e 4f 31 33 2f 63 31 2d 32 31 2d 31 33 2d 31 31 2d 39 2d 37 2d 36 2d 38 2d 31 30 2d 31 32 2d | 3NO13/c1-21-13-11-9-7-6-8-10-12- |
8b4e0 | 31 34 2d 32 34 28 34 38 2d 33 35 28 35 29 33 31 28 34 32 29 32 39 28 33 37 29 33 30 28 34 31 29 | 14-24(48-35(5)31(42)29(37)30(41) |
8b500 | 32 32 28 32 29 34 37 2d 33 35 29 31 39 2d 33 34 28 34 29 32 38 28 33 32 28 34 33 29 34 34 29 32 | 22(2)47-35)19-34(4)28(32(43)44)2 |
8b520 | 35 28 33 39 29 32 30 2d 33 36 28 34 35 2c 35 30 2d 33 34 29 31 38 2d 32 33 28 33 38 29 31 37 2d | 5(39)20-36(45,50-34)18-23(38)17- |
8b540 | 33 33 28 33 29 32 36 28 34 39 2d 33 33 29 31 35 2d 31 36 2d 32 37 28 34 30 29 34 36 2d 32 31 2f | 33(3)26(49-33)15-16-27(40)46-21/ |
8b560 | 68 36 2d 31 32 2c 31 34 2d 31 36 2c 32 31 2d 32 36 2c 32 38 2d 33 31 2c 33 38 2d 33 39 2c 34 31 | h6-12,14-16,21-26,28-31,38-39,41 |
8b580 | 2d 34 32 2c 34 35 48 2c 31 33 2c 31 37 2d 32 30 2c 33 37 48 32 2c 31 2d 35 48 33 2c 28 48 2c 34 | -42,45H,13,17-20,37H2,1-5H3,(H,4 |
8b5a0 | 33 2c 34 34 29 00 00 90 02 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 5d 04 77 61 72 | 3,44)......._id.V.$8+r.0...].war |
8b5c0 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a0 01 00 00 04 4d 50 | nings.......fingerprints......MP |
8b5e0 | 32 44 00 95 01 00 00 02 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 | 2D......0.....32;1-1-2;2-1-3;2-1 |
8b600 | 2d 33 32 3b 00 02 31 00 16 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 32 2d 33 32 3b 32 2d 32 2d 33 | -32;..1.....2;1-1-3;1-2-32;2-2-3 |
8b620 | 3b 00 02 32 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 | ;..2.....32;1-1-2;2-1-3;2-1-32;. |
8b640 | 02 33 00 23 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | .3.#...3;1-1-2;1-2-3;2-2-3;2-1-1 |
8b660 | 39 3b 32 2d 32 2d 33 32 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 | 9;2-2-32;..4.....3;1-2-3;2-1-2;2 |
8b680 | 2d 32 2d 33 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | -2-3;..5.....3;1-2-3;2-2-3;2-1-1 |
8b6a0 | 39 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 | 9;..6.....3;1-2-3;1-1-19;2-2-3;2 |
8b6c0 | 2d 32 2d 39 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 | -2-9;..7.....3;1-2-3;2-2-3;2-2-1 |
8b6e0 | 39 3b 00 02 38 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 | 9;..8.....3;1-2-3;1-1-19;2-1-2;2 |
8b700 | 2d 32 2d 33 3b 00 02 39 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 | -2-3;..9.....19;1-1-3;2-2-3;..10 |
8b720 | 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 31 31 00 16 | .....19;1-1-3;1-2-9;2-2-3;..11.. |
8b740 | 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 32 00 16 00 00 | ...9;1-1-19;2-1-3;2-1-9;..12.... |
8b760 | 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 | .9;1-1-19;2-1-3;2-1-9;....smiles |
8b780 | 00 19 00 00 00 4f 43 28 3d 4f 29 63 31 63 63 63 28 63 63 31 4e 29 4e 28 3d 4f 29 3d 4f 00 09 75 | .....OC(=O)c1ccc(cc1N)N(=O)=O..u |
8b7a0 | 70 64 61 74 65 64 5f 61 74 00 96 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f1 7a | pdated_at...}FP....created_at..z |
8b7c0 | 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | }FP....default_fingerprint_size. |
8b7e0 | 00 00 00 00 02 69 6e 63 68 69 00 47 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 36 4e 32 4f 34 | .....inchi.G...InChI=1S/C7H6N2O4 |
8b800 | 2f 63 38 2d 36 2d 33 2d 34 28 39 28 31 32 29 31 33 29 31 2d 32 2d 35 28 36 29 37 28 31 30 29 31 | /c8-6-3-4(9(12)13)1-2-5(6)7(10)1 |
8b820 | 31 2f 68 31 2d 33 48 2c 38 48 32 2c 28 48 2c 31 30 2c 31 31 29 00 00 43 02 00 00 07 5f 69 64 00 | 1/h1-3H,8H2,(H,10,11)..C...._id. |
8b840 | 56 16 24 38 2b 72 ed 30 fb 00 00 5e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V.$8+r.0...^.warnings.......fing |
8b860 | 65 72 70 72 69 6e 74 73 00 61 01 00 00 04 4d 50 32 44 00 56 01 00 00 02 30 00 16 00 00 00 39 3b | erprints.a....MP2D.V....0.....9; |
8b880 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 00 16 00 00 00 31 39 3b 31 2d | 1-1-19;2-1-3;2-1-9;..1.....19;1- |
8b8a0 | 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 | 1-3;1-2-9;2-2-3;..2.....9;1-1-19 |
8b8c0 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | ;2-1-3;2-1-9;..3.....3;1-2-3;1-1 |
8b8e0 | 2d 31 39 3b 32 2d 33 2d 33 3b 32 2d 32 2d 39 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | -19;2-3-3;2-2-9;..4.....3;1-2-3; |
8b900 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 2-2-3;2-1-19;..5.....3;1-2-3;2-2 |
8b920 | 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 37 00 0f 00 00 | -3;..6.....3;1-2-3;2-3-3;..7.... |
8b940 | 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 | .3;1-3-3;2-4-3;..8.....3;1-3-3;2 |
8b960 | 2d 34 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d | -4-3;2-1-19;..9.....3;1-2-3;2-3- |
8b980 | 33 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 0f 00 | 3;..10.....3;1-2-3;2-2-3;..11... |
8b9a0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | ..3;1-2-3;2-2-3;..12.....3;1-2-3 |
8b9c0 | 3b 32 2d 33 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 16 00 00 00 4f 3d 4e 28 3d 4f 29 63 31 63 | ;2-3-3;....smiles.....O=N(=O)c1c |
8b9e0 | 63 63 63 32 63 31 63 63 63 63 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 98 88 7d 46 50 01 00 00 | ccc2c1cccc2..updated_at...}FP... |
8ba00 | 09 63 72 65 61 74 65 64 5f 61 74 00 f9 7a 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at..z}FP....default_fin |
8ba20 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 3c 00 00 00 49 6e 43 | gerprint_size......inchi.<...InC |
8ba40 | 68 49 3d 31 53 2f 43 31 30 48 37 4e 4f 32 2f 63 31 32 2d 31 31 28 31 33 29 31 30 2d 37 2d 33 2d | hI=1S/C10H7NO2/c12-11(13)10-7-3- |
8ba60 | 35 2d 38 2d 34 2d 31 2d 32 2d 36 2d 39 28 38 29 31 30 2f 68 31 2d 37 48 00 00 df 03 00 00 07 5f | 5-8-4-1-2-6-9(8)10/h1-7H......._ |
8ba80 | 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 5f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V.$8+r.0..._.warnings.......f |
8baa0 | 69 6e 67 65 72 70 72 69 6e 74 73 00 b4 02 00 00 04 4d 50 32 44 00 a9 02 00 00 02 30 00 0f 00 00 | ingerprints......MP2D......0.... |
8bac0 | 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | .8;1-1-3;2-2-3;..1.....3;1-2-3;1 |
8bae0 | 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 | -1-8;2-2-3;2-1-6;..2.....3;1-2-3 |
8bb00 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 | ;2-2-3;2-1-8;..3.....3;1-2-3;2-3 |
8bb20 | 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 35 00 15 00 00 | -3;..4.....3;1-3-3;2-4-3;..5.... |
8bb40 | 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 36 3b 00 02 36 00 21 00 00 00 33 3b 31 | .3;1-3-3;2-4-3;2-1-6;..6.!...3;1 |
8bb60 | 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 33 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 37 | -2-3;1-1-6;2-3-3;2-1-6;2-1-8;..7 |
8bb80 | 00 15 00 00 00 36 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 33 2d 33 3b 00 02 38 00 15 00 00 | .....6;1-1-3;1-1-6;2-3-3;..8.... |
8bba0 | 00 36 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 33 2d 33 3b 00 02 39 00 1b 00 00 00 33 3b 31 | .6;1-1-3;1-1-6;2-3-3;..9.....3;1 |
8bbc0 | 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 30 00 15 00 00 00 | -2-3;1-1-6;2-2-3;2-1-6;..10..... |
8bbe0 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 | 3;1-2-3;2-2-3;2-1-6;..11.....3;1 |
8bc00 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -2-3;2-2-3;..12.....3;1-2-3;2-2- |
8bc20 | 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 15 00 | 3;..13.....3;1-2-3;2-2-3;..14... |
8bc40 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 35 00 0f 00 00 00 33 | ..3;1-2-3;2-2-3;2-1-6;..15.....3 |
8bc60 | 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;1-2-3;2-3-3;..16.....3;1-2-3;2- |
8bc80 | 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 37 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 2-3;2-1-10;..17."...3;1-2-3;1-1- |
8bca0 | 31 30 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 31 38 00 16 00 00 00 33 3b | 10;2-2-3;2-1-8;2-2-9;..18.....3; |
8bcc0 | 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 39 00 1c 00 00 00 31 30 3b 31 | 1-2-3;2-3-3;2-1-10;..19.....10;1 |
8bce0 | 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 32 30 00 1c 00 00 00 | -1-3;1-1-8;1-2-9;2-2-3;..20..... |
8bd00 | 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 31 00 | 9;1-1-10;2-1-3;2-1-8;2-1-9;..21. |
8bd20 | 1c 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 | ....9;1-1-10;2-1-3;2-1-8;2-1-9;. |
8bd40 | 02 32 32 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 00 00 | .22.....8;1-1-10;2-1-3;2-2-9;... |
8bd60 | 02 73 6d 69 6c 65 73 00 29 00 00 00 4f 63 31 63 63 63 32 63 28 63 31 4e 3d 4e 63 31 63 63 63 63 | .smiles.)...Oc1ccc2c(c1N=Nc1cccc |
8bd80 | 63 31 29 63 63 63 28 63 32 29 53 28 3d 4f 29 28 3d 4f 29 4f 00 09 75 70 64 61 74 65 64 5f 61 74 | c1)ccc(c2)S(=O)(=O)O..updated_at |
8bda0 | 00 9b 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 00 7b 7d 46 50 01 00 00 10 64 65 | ...}FP....created_at..{}FP....de |
8bdc0 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 | fault_fingerprint_size......inch |
8bde0 | 69 00 72 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 36 48 31 32 4e 32 4f 34 53 2f 63 31 39 2d 31 | i.r...InChI=1S/C16H12N2O4S/c19-1 |
8be00 | 35 2d 39 2d 36 2d 31 31 2d 31 30 2d 31 33 28 32 33 28 32 30 2c 32 31 29 32 32 29 37 2d 38 2d 31 | 5-9-6-11-10-13(23(20,21)22)7-8-1 |
8be20 | 34 28 31 31 29 31 36 28 31 35 29 31 38 2d 31 37 2d 31 32 2d 34 2d 32 2d 31 2d 33 2d 35 2d 31 32 | 4(11)16(15)18-17-12-4-2-1-3-5-12 |
8be40 | 2f 68 31 2d 31 30 2c 31 39 48 2c 28 48 2c 32 30 2c 32 31 2c 32 32 29 00 00 11 04 00 00 07 5f 69 | /h1-10,19H,(H,20,21,22)......._i |
8be60 | 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 60 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V.$8+r.0...`.warnings.......fi |
8be80 | 6e 67 65 72 70 72 69 6e 74 73 00 f4 02 00 00 04 4d 50 32 44 00 e9 02 00 00 02 30 00 15 00 00 00 | ngerprints......MP2D......0..... |
8bea0 | 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 31 3b 31 2d | 1;1-1-1;2-1-1;2-1-8;..1.....1;1- |
8bec0 | 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 32 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b | 2-1;1-1-8;2-1-3;..2.....8;1-1-1; |
8bee0 | 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 22 00 00 00 33 3b 31 2d 32 2d | 1-1-3;2-2-1;2-2-3;..3."...3;1-2- |
8bf00 | 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 34 00 1c | 3;1-1-8;2-1-1;2-2-3;2-1-15;..4.. |
8bf20 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 | ...3;1-2-3;2-2-3;2-1-8;2-1-11;.. |
8bf40 | 35 00 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 | 5.$...3;1-2-3;1-1-11;2-3-3;2-1-1 |
8bf60 | 31 3b 32 2d 31 2d 31 35 3b 00 02 36 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b | 1;2-1-15;..6.....3;1-2-3;1-1-15; |
8bf80 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 2-2-3;2-1-11;..7.....3;1-2-3;2-2 |
8bfa0 | 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 38 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 | -3;2-2-15;..8.....3;1-2-3;1-1-15 |
8bfc0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d | ;2-2-3;2-1-8;..9.....15;1-1-3;2- |
8bfe0 | 32 2d 33 3b 00 02 31 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 | 2-3;..10.....15;1-1-3;2-2-3;..11 |
8c000 | 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 32 2d 39 | .....11;1-2-3;1-1-11;2-3-3;2-2-9 |
8c020 | 3b 00 02 31 32 00 23 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b | ;..12.#...11;1-1-3;1-1-11;2-1-1; |
8c040 | 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 33 00 29 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-2-3;2-1-9;..13.)...3;1-1-1;1-1 |
8c060 | 2d 39 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 | -9;1-1-11;2-3-1;2-1-3;2-1-11;..1 |
8c080 | 34 00 1c 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 31 | 4.....9;1-2-3;2-1-1;2-1-9;2-2-11 |
8c0a0 | 3b 00 02 31 35 00 1d 00 00 00 33 3b 31 2d 32 2d 39 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 | ;..15.....3;1-2-9;1-1-11;2-2-3;2 |
8c0c0 | 2d 31 2d 31 31 3b 00 02 31 36 00 16 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 | -1-11;..16.....9;1-1-3;2-1-9;2-1 |
8c0e0 | 2d 31 31 3b 00 02 31 37 00 1c 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 39 | -11;..17.....1;1-3-1;1-1-3;2-1-9 |
8c100 | 3b 32 2d 31 2d 31 31 3b 00 02 31 38 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 | ;2-1-11;..18.....1;1-1-1;2-2-1;2 |
8c120 | 2d 31 2d 33 3b 00 02 31 39 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d | -1-3;..19.....1;1-1-1;2-2-1;2-1- |
8c140 | 33 3b 00 02 32 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 | 3;..20.....1;1-1-1;2-2-1;2-1-3;. |
8c160 | 02 32 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 | .21.....1;1-1-1;2-1-1;2-1-8;.... |
8c180 | 73 6d 69 6c 65 73 00 2a 00 00 00 43 43 28 4f 63 31 63 63 28 63 28 63 63 31 43 6c 29 43 6c 29 6e | smiles.*...CC(Oc1cc(c(cc1Cl)Cl)n |
8c1a0 | 31 6e 63 28 6f 63 31 3d 4f 29 43 28 43 29 28 43 29 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 | 1nc(oc1=O)C(C)(C)C)C..updated_at |
8c1c0 | 00 9d 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 08 7b 7d 46 50 01 00 00 10 64 65 | ...}FP....created_at..{}FP....de |
8c1e0 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 | fault_fingerprint_size......inch |
8c200 | 69 00 63 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 31 38 43 6c 32 4e 32 4f 33 2f 63 31 2d | i.c...InChI=1S/C15H18Cl2N2O3/c1- |
8c220 | 38 28 32 29 32 31 2d 31 32 2d 37 2d 31 31 28 39 28 31 36 29 36 2d 31 30 28 31 32 29 31 37 29 31 | 8(2)21-12-7-11(9(16)6-10(12)17)1 |
8c240 | 39 2d 31 34 28 32 30 29 32 32 2d 31 33 28 31 38 2d 31 39 29 31 35 28 33 2c 34 29 35 2f 68 36 2d | 9-14(20)22-13(18-19)15(3,4)5/h6- |
8c260 | 38 48 2c 31 2d 35 48 33 00 00 ea 02 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 61 04 | 8H,1-5H3......._id.V.$8+r.0...a. |
8c280 | 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 fa 01 00 00 | warnings.......fingerprints..... |
8c2a0 | 04 4d 50 32 44 00 ef 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b | .MP2D......0.....1;1-1-28;2-1-2; |
8c2c0 | 00 02 31 00 1c 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 | ..1.....28;1-1-1;1-1-2;2-1-8;2-1 |
8c2e0 | 2d 39 3b 00 02 32 00 22 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b | -9;..2."...2;1-1-8;1-1-9;1-1-28; |
8c300 | 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 33 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d | 2-1-1;2-1-6;..3.....9;1-1-2;2-1- |
8c320 | 38 3b 32 2d 31 2d 32 38 3b 00 02 34 00 22 00 00 00 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 | 8;2-1-28;..4."...8;1-1-2;1-1-6;2 |
8c340 | 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 35 00 1c 00 00 00 36 3b 31 2d 31 2d | -1-2;2-1-9;2-1-28;..5.....6;1-1- |
8c360 | 32 3b 31 2d 31 2d 38 3b 32 2d 32 2d 32 3b 32 2d 31 2d 31 30 3b 00 02 36 00 2f 00 00 00 32 3b 31 | 2;1-1-8;2-2-2;2-1-10;..6./...2;1 |
8c380 | 2d 31 2d 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d | -1-2;1-1-6;1-1-10;2-1-1;2-1-8;2- |
8c3a0 | 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 37 00 29 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 | 1-9;2-1-28;..7.)...2;1-1-2;1-1-9 |
8c3c0 | 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 30 3b 00 02 38 00 16 | ;1-1-28;2-2-1;2-1-6;2-1-10;..8.. |
8c3e0 | 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 02 39 00 1c 00 00 00 | ...9;1-1-2;2-1-2;2-1-28;..9..... |
8c400 | 32 38 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 30 00 | 28;1-2-1;1-1-2;2-1-2;2-1-9;..10. |
8c420 | 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 31 00 16 00 | ....1;1-1-28;2-1-1;2-1-2;..11... |
8c440 | 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 32 00 1c 00 00 00 | ..1;1-1-28;2-1-1;2-1-2;..12..... |
8c460 | 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 31 33 00 | 10;1-1-1;1-1-2;2-1-2;2-1-6;..13. |
8c480 | 10 00 00 00 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 1a 00 | ....1;1-1-10;2-1-2;....smiles... |
8c4a0 | 00 00 43 4e 43 28 3d 4f 29 4f 4e 3d 43 28 43 28 3d 4f 29 4e 28 43 29 43 29 53 43 00 09 75 70 64 | ..CNC(=O)ON=C(C(=O)N(C)C)SC..upd |
8c4c0 | 61 74 65 64 5f 61 74 00 9f 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 0e 7b 7d 46 | ated_at...}FP....created_at..{}F |
8c4e0 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
8c500 | 00 00 02 69 6e 63 68 69 00 46 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 31 33 4e 33 4f 33 53 | ...inchi.F...InChI=1S/C7H13N3O3S |
8c520 | 2f 63 31 2d 38 2d 37 28 31 32 29 31 33 2d 39 2d 35 28 31 34 2d 34 29 36 28 31 31 29 31 30 28 32 | /c1-8-7(12)13-9-5(14-4)6(11)10(2 |
8c540 | 29 33 2f 68 31 2d 34 48 33 2c 28 48 2c 38 2c 31 32 29 00 00 4f 03 00 00 07 5f 69 64 00 56 16 24 | )3/h1-4H3,(H,8,12)..O...._id.V.$ |
8c560 | 38 2b 72 ed 30 fb 00 00 62 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | 8+r.0...b.warnings.......fingerp |
8c580 | 72 69 6e 74 73 00 47 02 00 00 04 4d 50 32 44 00 3c 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 | rints.G....MP2D.<....0.....1;1-1 |
8c5a0 | 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 | -1;2-1-8;..1.....1;1-1-1;1-1-8;2 |
8c5c0 | 2d 31 2d 31 32 3b 00 02 32 00 23 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 | -1-12;..2.#...8;1-1-1;1-1-12;2-1 |
8c5e0 | 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 33 00 1d 00 00 00 31 32 3b 31 2d 33 2d 38 | -1;2-2-8;2-1-18;..3.....12;1-3-8 |
8c600 | 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 34 00 11 00 00 00 31 38 3b 31 | ;1-1-18;2-2-1;2-1-3;..4.....18;1 |
8c620 | 2d 31 2d 31 32 3b 32 2d 33 2d 38 3b 00 02 35 00 23 00 00 00 38 3b 31 2d 31 2d 33 3b 31 2d 31 2d | -1-12;2-3-8;..5.#...8;1-1-3;1-1- |
8c640 | 31 32 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 36 00 1c 00 00 00 33 3b | 12;2-2-3;2-2-8;2-1-18;..6.....3; |
8c660 | 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 32 3b 00 02 37 00 15 00 00 | 1-2-3;1-1-8;2-2-3;2-1-12;..7.... |
8c680 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 16 00 00 00 33 3b 31 | .3;1-2-3;2-2-3;2-1-8;..8.....3;1 |
8c6a0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 39 00 1c 00 00 00 33 3b 31 2d 32 2d | -2-3;2-2-3;2-1-19;..9.....3;1-2- |
8c6c0 | 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 30 00 16 00 00 00 33 3b | 3;1-1-19;2-2-3;2-2-9;..10.....3; |
8c6e0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d | 1-2-3;2-2-3;2-1-19;..11.....3;1- |
8c700 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 32 00 16 00 00 00 31 39 3b 31 2d 31 2d | 2-3;2-2-3;2-1-8;..12.....19;1-1- |
8c720 | 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 31 33 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b | 3;1-2-9;2-2-3;..13.....9;1-1-19; |
8c740 | 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 34 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d | 2-1-3;2-1-9;..14.....9;1-1-19;2- |
8c760 | 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 35 00 23 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 | 1-3;2-1-9;..15.#...8;1-1-1;1-1-1 |
8c780 | 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 31 36 00 16 00 00 00 31 3b | 2;2-1-1;2-2-8;2-1-18;..16.....1; |
8c7a0 | 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 37 00 0f 00 00 00 31 3b 31 2d | 1-1-1;1-1-8;2-1-12;..17.....1;1- |
8c7c0 | 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 20 00 00 00 43 43 4f 50 28 3d 53 | 1-1;2-1-8;....smiles.....CCOP(=S |
8c7e0 | 29 28 4f 63 31 63 63 63 28 63 63 31 29 4e 28 3d 4f 29 3d 4f 29 4f 43 43 00 09 75 70 64 61 74 65 | )(Oc1ccc(cc1)N(=O)=O)OCC..update |
8c800 | 64 5f 61 74 00 2b 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 14 7b 7d 46 50 01 00 | d_at.+.}FP....created_at..{}FP.. |
8c820 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 | ..default_fingerprint_size...... |
8c840 | 69 6e 63 68 69 00 58 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 34 4e 4f 35 50 53 2f 63 | inchi.X...InChI=1S/C10H14NO5PS/c |
8c860 | 31 2d 33 2d 31 34 2d 31 37 28 31 38 2c 31 35 2d 34 2d 32 29 31 36 2d 31 30 2d 37 2d 35 2d 39 28 | 1-3-14-17(18,15-4-2)16-10-7-5-9( |
8c880 | 36 2d 38 2d 31 30 29 31 31 28 31 32 29 31 33 2f 68 35 2d 38 48 2c 33 2d 34 48 32 2c 31 2d 32 48 | 6-8-10)11(12)13/h5-8H,3-4H2,1-2H |
8c8a0 | 33 00 00 ba 02 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 63 04 77 61 72 6e 69 6e 67 | 3......._id.V.$8+r.0...c.warning |
8c8c0 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b9 01 00 00 04 4d 50 32 44 00 ae | s.......fingerprints......MP2D.. |
8c8e0 | 01 00 00 02 30 00 12 00 00 00 31 39 3b 31 2d 31 2d 33 33 3b 32 2d 32 2d 31 39 3b 00 02 31 00 18 | ....0.....19;1-1-33;2-2-19;..1.. |
8c900 | 00 00 00 33 33 3b 31 2d 33 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 33 3b 00 02 32 00 12 00 | ...33;1-3-19;2-1-1;2-1-33;..2... |
8c920 | 00 00 31 39 3b 31 2d 32 2d 33 33 3b 32 2d 34 2d 31 39 3b 00 02 33 00 12 00 00 00 33 33 3b 31 2d | ..19;1-2-33;2-4-19;..3.....33;1- |
8c940 | 33 2d 31 39 3b 32 2d 31 2d 33 33 3b 00 02 34 00 12 00 00 00 31 39 3b 31 2d 31 2d 33 33 3b 32 2d | 3-19;2-1-33;..4.....19;1-1-33;2- |
8c960 | 32 2d 31 39 3b 00 02 35 00 12 00 00 00 31 39 3b 31 2d 31 2d 33 33 3b 32 2d 32 2d 31 39 3b 00 02 | 2-19;..5.....19;1-1-33;2-2-19;.. |
8c980 | 36 00 1e 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | 6.....19;1-1-1;1-1-33;2-1-1;2-2- |
8c9a0 | 31 39 3b 00 02 37 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b | 19;..7.....1;1-1-1;1-1-19;2-1-3; |
8c9c0 | 32 2d 31 2d 33 33 3b 00 02 38 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 | 2-1-33;..8.....1;1-1-1;1-1-3;2-2 |
8c9e0 | 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 39 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b | -3;2-1-19;..9.....3;1-1-1;1-2-3; |
8ca00 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | 2-1-1;2-2-3;..10.....3;1-2-3;2-1 |
8ca20 | 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | -1;2-2-3;..11.....3;1-2-3;2-2-3; |
8ca40 | 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 | ..12.....3;1-2-3;2-2-3;..13..... |
8ca60 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-2-3;2-2-3;..14.....3;1-2-3;2 |
8ca80 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 18 00 00 00 4e 3d 43 28 4e 43 | -1-1;2-2-3;....smiles.....N=C(NC |
8caa0 | 28 3d 4e 29 4e 29 4e 43 43 63 31 63 63 63 63 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 a4 88 | (=N)N)NCCc1ccccc1..updated_at... |
8cac0 | 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 1e 7b 7d 46 50 01 00 00 10 64 65 66 61 75 | }FP....created_at..{}FP....defau |
8cae0 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 59 | lt_fingerprint_size......inchi.Y |
8cb00 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 35 4e 35 2f 63 31 31 2d 39 28 31 32 29 31 35 | ...InChI=1S/C10H15N5/c11-9(12)15 |
8cb20 | 2d 31 30 28 31 33 29 31 34 2d 37 2d 36 2d 38 2d 34 2d 32 2d 31 2d 33 2d 35 2d 38 2f 68 31 2d 35 | -10(13)14-7-6-8-4-2-1-3-5-8/h1-5 |
8cb40 | 48 2c 36 2d 37 48 32 2c 28 48 36 2c 31 31 2c 31 32 2c 31 33 2c 31 34 2c 31 35 29 00 00 c5 03 00 | H,6-7H2,(H6,11,12,13,14,15)..... |
8cb60 | 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 64 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V.$8+r.0...d.warnings..... |
8cb80 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b6 02 00 00 04 4d 50 32 44 00 ab 02 00 00 02 30 00 | ..fingerprints......MP2D......0. |
8cba0 | 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 00 24 00 00 00 38 3b 31 2d 31 | ....1;1-1-8;2-1-12;..1.$...8;1-1 |
8cbc0 | 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 | -1;1-1-12;2-1-8;2-1-10;2-1-18;.. |
8cbe0 | 32 00 1e 00 00 00 31 32 3b 31 2d 32 2d 38 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 31 38 3b 32 2d 33 | 2.....12;1-2-8;1-1-10;1-1-18;2-3 |
8cc00 | 2d 31 3b 00 02 33 00 18 00 00 00 31 38 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 | -1;..3.....18;1-1-12;2-2-8;2-1-1 |
8cc20 | 30 3b 00 02 34 00 25 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b | 0;..4.%...10;1-1-1;1-1-12;2-2-8; |
8cc40 | 32 2d 31 2d 31 38 3b 32 2d 31 2d 32 38 3b 00 02 35 00 1e 00 00 00 31 3b 31 2d 31 2d 31 30 3b 31 | 2-1-18;2-1-28;..5.....1;1-1-10;1 |
8cc60 | 2d 31 2d 32 38 3b 32 2d 32 2d 32 3b 32 2d 31 2d 31 32 3b 00 02 36 00 23 00 00 00 32 38 3b 31 2d | -1-28;2-2-2;2-1-12;..6.#...28;1- |
8cc80 | 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 30 3b 00 02 37 | 1-1;1-2-2;2-2-3;2-2-9;2-1-10;..7 |
8cca0 | 00 28 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b | .(...2;1-1-3;1-1-9;1-1-28;2-1-1; |
8ccc0 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 38 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d | 2-1-2;2-2-3;..8.....9;1-1-2;2-1- |
8cce0 | 33 3b 32 2d 31 2d 32 38 3b 00 02 39 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 | 3;2-1-28;..9.(...3;1-1-2;1-2-3;2 |
8cd00 | 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 28 00 00 | -1-2;2-2-3;2-1-9;2-1-28;..10.(.. |
8cd20 | 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 | .3;1-1-2;1-2-3;2-1-2;2-2-3;2-1-9 |
8cd40 | 3b 32 2d 31 2d 32 38 3b 00 02 31 31 00 28 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 | ;2-1-28;..11.(...2;1-1-3;1-1-9;1 |
8cd60 | 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 32 00 16 00 00 | -1-28;2-1-1;2-1-2;2-2-3;..12.... |
8cd80 | 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 15 00 00 00 33 | .9;1-1-2;2-1-3;2-1-28;..13.....3 |
8cda0 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d | ;1-2-3;2-1-2;2-2-3;..14.....3;1- |
8cdc0 | 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 2-3;2-2-3;..15.....3;1-2-3;2-2-3 |
8cde0 | 3b 00 02 31 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 | ;..16.....3;1-2-3;2-1-2;2-2-3;.. |
8ce00 | 31 37 00 24 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d | 17.$...8;1-1-1;1-1-12;2-1-8;2-1- |
8ce20 | 31 30 3b 32 2d 31 2d 31 38 3b 00 02 31 38 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 | 10;2-1-18;..18.....1;1-1-8;2-1-1 |
8ce40 | 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 23 00 00 00 43 4f 50 28 3d 53 29 28 53 43 4e 31 43 28 3d | 2;....smiles.#...COP(=S)(SCN1C(= |
8ce60 | 4f 29 63 32 63 28 43 31 3d 4f 29 63 63 63 63 32 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 | O)c2c(C1=O)cccc2)OC..updated_at. |
8ce80 | 25 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 25 7b 7d 46 50 01 00 00 10 64 65 66 | %.}FP....created_at.%{}FP....def |
8cea0 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
8cec0 | 00 5c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 31 48 31 32 4e 4f 34 50 53 32 2f 63 31 2d 31 35 | .\...InChI=1S/C11H12NO4PS2/c1-15 |
8cee0 | 2d 31 37 28 31 38 2c 31 36 2d 32 29 31 39 2d 37 2d 31 32 2d 31 30 28 31 33 29 38 2d 35 2d 33 2d | -17(18,16-2)19-7-12-10(13)8-5-3- |
8cf00 | 34 2d 36 2d 39 28 38 29 31 31 28 31 32 29 31 34 2f 68 33 2d 36 48 2c 37 48 32 2c 31 2d 32 48 33 | 4-6-9(8)11(12)14/h3-6H,7H2,1-2H3 |
8cf20 | 00 00 76 03 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 65 04 77 61 72 6e 69 6e 67 73 | ..v...._id.V.$8+r.0...e.warnings |
8cf40 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 72 02 00 00 04 4d 50 32 44 00 67 02 | .......fingerprints.r....MP2D.g. |
8cf60 | 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 00 1c 00 00 00 | ...0.....1;1-1-1;2-1-28;..1..... |
8cf80 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 22 | 1;1-1-1;1-1-28;2-1-1;2-1-2;..2." |
8cfa0 | 00 00 00 32 38 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d | ...28;1-2-1;1-1-2;2-2-1;2-1-2;2- |
8cfc0 | 31 2d 39 3b 00 02 33 00 29 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 | 1-9;..3.)...2;1-1-2;1-1-9;1-1-28 |
8cfe0 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 34 00 16 00 00 00 39 3b 31 2d | ;2-2-1;2-1-2;2-1-15;..4.....9;1- |
8d000 | 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 02 35 00 23 00 00 00 32 3b 31 2d 32 2d 32 | 1-2;2-1-2;2-1-28;..5.#...2;1-2-2 |
8d020 | 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 32 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 36 00 29 | ;1-1-15;2-1-1;2-2-9;2-1-28;..6.) |
8d040 | 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 31 | ...2;1-1-1;1-1-2;1-1-9;2-1-2;2-1 |
8d060 | 2d 31 32 3b 32 2d 31 2d 31 35 3b 00 02 37 00 28 00 00 00 39 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 | -12;2-1-15;..7.(...9;1-1-2;1-1-1 |
8d080 | 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 38 00 1c 00 | 2;2-1-1;2-1-2;2-2-8;2-1-9;..8... |
8d0a0 | 00 00 31 32 3b 31 2d 32 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 39 | ..12;1-2-8;1-2-9;2-2-1;2-1-2;..9 |
8d0c0 | 00 16 00 00 00 39 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 30 00 1c | .....9;1-1-12;2-2-8;2-1-9;..10.. |
8d0e0 | 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 | ...8;1-1-1;1-1-12;2-1-8;2-2-9;.. |
8d100 | 31 31 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 32 00 1c 00 00 00 38 | 11.....1;1-1-8;2-1-12;..12.....8 |
8d120 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 31 33 00 10 | ;1-1-1;1-1-12;2-1-8;2-2-9;..13.. |
8d140 | 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 34 00 15 00 00 00 31 3b 31 2d 31 | ...1;1-1-8;2-1-12;..14.....1;1-1 |
8d160 | 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 35 00 10 00 00 00 31 35 3b 31 2d 31 2d 32 | -2;2-1-2;2-1-9;..15.....15;1-1-2 |
8d180 | 3b 32 2d 32 2d 32 3b 00 02 31 36 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 | ;2-2-2;..16.....1;1-1-1;1-1-28;2 |
8d1a0 | 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 37 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d | -1-1;2-1-2;..17.....1;1-1-1;2-1- |
8d1c0 | 32 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 23 00 00 00 43 43 4e 28 43 28 3d 4f 29 43 28 3d 43 28 | 28;....smiles.#...CCN(C(=O)C(=C( |
8d1e0 | 4f 50 28 3d 4f 29 28 4f 43 29 4f 43 29 43 29 43 6c 29 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 | OP(=O)(OC)OC)C)Cl)CC..updated_at |
8d200 | 00 a9 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 2b 7b 7d 46 50 01 00 00 10 64 65 | ...}FP....created_at.+{}FP....de |
8d220 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 | fault_fingerprint_size......inch |
8d240 | 69 00 51 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 39 43 6c 4e 4f 35 50 2f 63 31 2d 36 | i.Q...InChI=1S/C10H19ClNO5P/c1-6 |
8d260 | 2d 31 32 28 37 2d 32 29 31 30 28 31 33 29 39 28 31 31 29 38 28 33 29 31 37 2d 31 38 28 31 34 2c | -12(7-2)10(13)9(11)8(3)17-18(14, |
8d280 | 31 35 2d 34 29 31 36 2d 35 2f 68 36 2d 37 48 32 2c 31 2d 35 48 33 00 00 64 03 00 00 07 5f 69 64 | 15-4)16-5/h6-7H2,1-5H3..d...._id |
8d2a0 | 00 56 16 24 38 2b 72 ed 30 fb 00 00 66 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V.$8+r.0...f.warnings.......fin |
8d2c0 | 67 65 72 70 72 69 6e 74 73 00 4e 02 00 00 04 4d 50 32 44 00 43 02 00 00 02 30 00 10 00 00 00 31 | gerprints.N....MP2D.C....0.....1 |
8d2e0 | 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 00 1d 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d | 5;1-1-1;2-2-1;..1.....1;1-2-1;1- |
8d300 | 31 2d 31 35 3b 32 2d 34 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 32 00 1d 00 00 00 31 3b 31 2d 33 2d | 1-15;2-4-1;2-2-15;..2.....1;1-3- |
8d320 | 31 3b 31 2d 31 2d 31 35 3b 32 2d 35 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 33 00 10 00 00 00 31 35 | 1;1-1-15;2-5-1;2-2-15;..3.....15 |
8d340 | 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 34 00 16 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 36 | ;1-1-1;2-3-1;..4.....1;1-3-1;2-6 |
8d360 | 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 35 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 35 2d 31 3b | -1;2-1-15;..5.....1;1-3-1;2-5-1; |
8d380 | 32 2d 31 2d 38 3b 00 02 36 00 16 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 36 2d 31 3b 32 2d 31 2d | 2-1-8;..6.....1;1-3-1;2-6-1;2-1- |
8d3a0 | 31 35 3b 00 02 37 00 1d 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 34 2d 31 3b | 15;..7.....1;1-3-1;1-1-15;2-4-1; |
8d3c0 | 32 2d 33 2d 31 35 3b 00 02 38 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 | 2-3-15;..8.....15;1-1-1;2-3-1;.. |
8d3e0 | 39 00 1d 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 32 2d 31 35 3b 32 2d 34 2d 31 3b 32 2d 32 2d 31 | 9.....1;1-2-1;1-2-15;2-4-1;2-2-1 |
8d400 | 35 3b 00 02 31 30 00 1d 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 35 2d 31 3b | 5;..10.....1;1-3-1;1-1-15;2-5-1; |
8d420 | 32 2d 33 2d 31 35 3b 00 02 31 31 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 | 2-3-15;..11.....15;1-1-1;2-3-1;. |
8d440 | 02 31 32 00 16 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 36 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 31 | .12.....1;1-3-1;2-6-1;2-1-15;..1 |
8d460 | 33 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 35 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 34 00 1b | 3.....1;1-3-1;2-5-1;2-1-8;..14.. |
8d480 | 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 34 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 | ...1;1-2-1;1-1-8;2-4-1;2-1-8;..1 |
8d4a0 | 35 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 34 2d 31 3b 32 2d 31 2d 38 3b | 5.....1;1-2-1;1-1-8;2-4-1;2-1-8; |
8d4c0 | 00 02 31 36 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b 00 02 31 37 00 17 00 00 00 | ..16.....8;1-2-1;2-4-1;..17..... |
8d4e0 | 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 31 38 00 17 00 00 00 31 | 15;1-1-1;2-2-1;2-1-15;..18.....1 |
8d500 | 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 | 5;1-1-1;2-2-1;2-1-15;....smiles. |
8d520 | 30 00 00 00 43 6c 43 31 43 32 28 43 6c 29 43 33 43 34 43 35 43 31 28 43 6c 29 43 28 43 32 28 43 | 0...ClC1C2(Cl)C3C4C5C1(Cl)C(C2(C |
8d540 | 6c 29 43 35 43 33 43 31 43 34 4f 31 29 28 43 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 | l)C5C3C1C4O1)(Cl)Cl..updated_at. |
8d560 | ab 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 33 7b 7d 46 50 01 00 00 10 64 65 66 | ..}FP....created_at.3{}FP....def |
8d580 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
8d5a0 | 00 56 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 38 43 6c 36 4f 2f 63 31 33 2d 38 2d 39 28 | .V...InChI=1S/C12H8Cl6O/c13-8-9( |
8d5c0 | 31 34 29 33 2d 31 2d 34 2d 35 28 32 28 33 29 37 2d 36 28 31 29 31 39 2d 37 29 31 31 28 39 2c 31 | 14)3-1-4-5(2(3)7-6(1)19-7)11(9,1 |
8d5e0 | 36 29 31 32 28 31 37 2c 31 38 29 31 30 28 34 2c 38 29 31 35 2f 68 31 2d 38 48 00 00 4c 02 00 00 | 6)12(17,18)10(4,8)15/h1-8H..L... |
8d600 | 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 67 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V.$8+r.0...g.warnings...... |
8d620 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 75 01 00 00 04 4d 50 32 44 00 6a 01 00 00 02 30 00 15 | .fingerprints.u....MP2D.j....0.. |
8d640 | 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 00 21 00 00 00 32 | ...9;1-1-2;2-1-3;2-1-8;..1.!...2 |
8d660 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 | ;1-1-3;1-1-8;1-1-9;2-1-2;2-2-3;. |
8d680 | 02 32 00 15 00 00 00 38 3b 31 2d 32 2d 32 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 33 00 21 | .2.....8;1-2-2;2-2-3;2-2-9;..3.! |
8d6a0 | 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 32 | ...2;1-1-3;1-1-8;1-1-9;2-1-2;2-2 |
8d6c0 | 2d 33 3b 00 02 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 | -3;..4.....9;1-1-2;2-1-3;2-1-8;. |
8d6e0 | 02 35 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 | .5.'...3;1-1-2;1-2-3;2-1-2;2-2-3 |
8d700 | 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 36 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 | ;2-1-8;2-1-9;..6.'...3;1-1-2;1-2 |
8d720 | 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 37 00 15 | -3;2-1-2;2-2-3;2-1-8;2-1-9;..7.. |
8d740 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 00 33 | ...3;1-2-3;2-1-2;2-2-3;..8.....3 |
8d760 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | ;1-2-3;2-2-3;..9.....3;1-2-3;2-2 |
8d780 | 2d 33 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b | -3;..10.....3;1-2-3;2-1-2;2-2-3; |
8d7a0 | 00 00 00 02 73 6d 69 6c 65 73 00 14 00 00 00 4f 3d 43 31 4f 43 28 3d 4f 29 63 32 63 31 63 63 63 | ....smiles.....O=C1OC(=O)c2c1ccc |
8d7c0 | 63 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 ad 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | c2..updated_at...}FP....created_ |
8d7e0 | 61 74 00 3a 7b 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at.:{}FP....default_fingerprint_ |
8d800 | 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 33 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 | size......inchi.3...InChI=1S/C8H |
8d820 | 34 4f 33 2f 63 39 2d 37 2d 35 2d 33 2d 31 2d 32 2d 34 2d 36 28 35 29 38 28 31 30 29 31 31 2d 37 | 4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7 |
8d840 | 2f 68 31 2d 34 48 00 00 d4 02 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 68 04 77 61 | /h1-4H......._id.V.$8+r.0...h.wa |
8d860 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 dd 01 00 00 04 4d | rnings.......fingerprints......M |
8d880 | 50 32 44 00 d2 01 00 00 02 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d | P2D......0.....32;1-1-2;2-1-3;2- |
8d8a0 | 31 2d 33 32 3b 00 02 31 00 1d 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d | 1-32;..1.....2;1-1-3;1-2-32;2-1- |
8d8c0 | 33 3b 32 2d 31 2d 31 31 3b 00 02 32 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b | 3;2-1-11;..2.....32;1-1-2;2-1-3; |
8d8e0 | 32 2d 31 2d 33 32 3b 00 02 33 00 2a 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 | 2-1-32;..3.*...3;1-1-2;1-1-3;1-1 |
8d900 | 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 32 2d 32 2d 33 32 3b 00 02 34 00 1d 00 00 00 | -11;2-2-3;2-1-15;2-2-32;..4..... |
8d920 | 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 35 00 | 11;1-2-3;2-1-2;2-2-3;2-1-15;..5. |
8d940 | 24 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b | $...3;1-1-3;1-1-11;1-1-15;2-2-3; |
8d960 | 32 2d 31 2d 31 35 3b 00 02 36 00 17 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d | 2-1-15;..6.....15;1-1-3;2-1-3;2- |
8d980 | 31 2d 31 31 3b 00 02 37 00 2b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d | 1-11;..7.+...3;1-2-3;1-1-15;2-1- |
8d9a0 | 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 31 39 3b 00 02 38 00 1d 00 00 00 33 | 3;2-1-11;2-1-15;2-1-19;..8.....3 |
8d9c0 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 39 00 2a | ;1-2-3;1-1-19;2-2-3;2-2-15;..9.* |
8d9e0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d | ...3;1-2-3;1-1-15;2-1-2;2-1-3;2- |
8da00 | 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d | 1-11;2-1-19;..10.....15;1-1-3;2- |
8da20 | 32 2d 33 3b 00 02 31 31 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 | 2-3;..11.....19;1-1-3;2-2-3;..12 |
8da40 | 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1c | .....15;1-1-3;2-2-3;....smiles.. |
8da60 | 00 00 00 4f 43 28 3d 4f 29 63 31 6e 63 28 43 6c 29 63 28 63 28 63 31 43 6c 29 4e 29 43 6c 00 09 | ...OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl.. |
8da80 | 75 70 64 61 74 65 64 5f 61 74 00 af 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 41 | updated_at...}FP....created_at.A |
8daa0 | 7b 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | {}FP....default_fingerprint_size |
8dac0 | 00 00 00 00 00 02 69 6e 63 68 69 00 4b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 33 43 6c 33 | ......inchi.K...InChI=1S/C6H3Cl3 |
8dae0 | 4e 32 4f 32 2f 63 37 2d 31 2d 33 28 31 30 29 32 28 38 29 35 28 39 29 31 31 2d 34 28 31 29 36 28 | N2O2/c7-1-3(10)2(8)5(9)11-4(1)6( |
8db00 | 31 32 29 31 33 2f 68 28 48 32 2c 31 30 2c 31 31 29 28 48 2c 31 32 2c 31 33 29 00 00 a6 03 00 00 | 12)13/h(H2,10,11)(H,12,13)...... |
8db20 | 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 69 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V.$8+r.0...i.warnings...... |
8db40 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 9b 02 00 00 04 4d 50 32 44 00 90 02 00 00 02 30 00 10 | .fingerprints......MP2D......0.. |
8db60 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 00 1c 00 00 00 31 3b 31 2d 31 2d | ...1;1-1-1;2-1-19;..1.....1;1-1- |
8db80 | 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 00 1d 00 00 00 31 39 3b | 1;1-1-19;2-1-1;2-1-3;..2.....19; |
8dba0 | 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 31 31 3b 00 02 33 00 1d 00 00 | 1-2-1;1-1-3;2-2-1;2-2-11;..3.... |
8dbc0 | 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 | .3;1-2-11;1-1-19;2-2-1;2-2-3;..4 |
8dbe0 | 00 24 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 | .$...11;1-2-3;2-1-3;2-1-8;2-1-11 |
8dc00 | 3b 32 2d 31 2d 31 39 3b 00 02 35 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d | ;2-1-19;..5.#...3;1-1-3;1-1-8;1- |
8dc20 | 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 32 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d | 1-11;2-2-3;2-1-12;..6.....3;1-2- |
8dc40 | 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 31 3b 00 02 37 00 1c 00 00 00 33 3b 31 | 3;2-1-1;2-1-8;2-2-11;..7.....3;1 |
8dc60 | 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 38 00 24 00 00 00 | -1-1;1-1-3;1-1-11;2-2-3;..8.$... |
8dc80 | 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d | 11;1-2-3;2-1-1;2-1-3;2-1-11;2-1- |
8dca0 | 31 39 3b 00 02 39 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b | 19;..9.....1;1-1-3;2-1-3;2-1-11; |
8dcc0 | 00 02 31 30 00 2a 00 00 00 38 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 33 3b 32 2d | ..10.*...8;1-1-3;1-1-12;2-1-3;2- |
8dce0 | 32 2d 38 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 31 31 00 1d 00 00 00 31 32 3b 31 2d | 2-8;2-1-11;2-1-18;..11.....12;1- |
8dd00 | 33 2d 38 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 32 00 11 00 00 00 | 3-8;1-1-18;2-2-1;2-1-3;..12..... |
8dd20 | 31 38 3b 31 2d 31 2d 31 32 3b 32 2d 33 2d 38 3b 00 02 31 33 00 1d 00 00 00 38 3b 31 2d 31 2d 31 | 18;1-1-12;2-3-8;..13.....8;1-1-1 |
8dd40 | 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 31 34 00 10 00 00 00 31 3b | ;1-1-12;2-2-8;2-1-18;..14.....1; |
8dd60 | 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 35 00 1d 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d | 1-1-8;2-1-12;..15.....8;1-1-1;1- |
8dd80 | 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 31 36 00 10 00 00 00 31 3b 31 2d 31 | 1-12;2-2-8;2-1-18;..16.....1;1-1 |
8dda0 | 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 37 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 | -8;2-1-12;..17.....1;1-1-1;1-1-1 |
8ddc0 | 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 38 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 | 9;2-1-1;2-1-3;..18.....1;1-1-1;2 |
8dde0 | 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 21 00 00 00 43 43 4e 28 63 31 6e 63 28 63 63 | -1-19;....smiles.!...CCN(c1nc(cc |
8de00 | 28 6e 31 29 43 29 4f 50 28 3d 53 29 28 4f 43 29 4f 43 29 43 43 00 09 75 70 64 61 74 65 64 5f 61 | (n1)C)OP(=S)(OC)OC)CC..updated_a |
8de20 | 74 00 90 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 48 7b 7d 46 50 01 00 00 10 64 | t...}FP....created_at.H{}FP....d |
8de40 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 | efault_fingerprint_size......inc |
8de60 | 68 69 00 5a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 31 48 32 30 4e 33 4f 33 50 53 2f 63 31 2d | hi.Z...InChI=1S/C11H20N3O3PS/c1- |
8de80 | 36 2d 31 34 28 37 2d 32 29 31 31 2d 31 32 2d 39 28 33 29 38 2d 31 30 28 31 33 2d 31 31 29 31 37 | 6-14(7-2)11-12-9(3)8-10(13-11)17 |
8dea0 | 2d 31 38 28 31 39 2c 31 35 2d 34 29 31 36 2d 35 2f 68 38 48 2c 36 2d 37 48 32 2c 31 2d 35 48 33 | -18(19,15-4)16-5/h8H,6-7H2,1-5H3 |
8dec0 | 00 00 c9 02 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 6a 04 77 61 72 6e 69 6e 67 73 | ......._id.V.$8+r.0...j.warnings |
8dee0 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 cd 01 00 00 04 4d 50 32 44 00 c2 01 | .......fingerprints......MP2D... |
8df00 | 00 00 02 30 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 | ...0.....19;1-1-3;2-2-3;..1..... |
8df20 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 | 3;1-2-3;1-1-19;2-2-3;..2.....3;1 |
8df40 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d 32 2d | -2-3;2-2-3;2-1-19;..3.....3;1-2- |
8df60 | 33 3b 32 2d 33 2d 33 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 33 2d 33 3b 32 2d | 3;2-3-3;..4.....3;1-3-3;2-3-3;2- |
8df80 | 31 2d 31 31 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 34 2d | 1-11;..5.....3;1-2-3;1-1-11;2-4- |
8dfa0 | 33 3b 00 02 36 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 32 | 3;..6.....3;1-2-3;2-2-3;2-1-11;2 |
8dfc0 | 2d 31 2d 31 39 3b 00 02 37 00 10 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 38 | -1-19;..7.....11;1-2-3;2-4-3;..8 |
8dfe0 | 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 34 2d 33 3b 00 02 39 00 16 00 | .....3;1-2-3;1-1-11;2-4-3;..9... |
8e000 | 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 0f 00 00 00 | ..3;1-3-3;2-3-3;2-1-11;..10..... |
8e020 | 33 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-2-3;2-4-3;..11.....3;1-2-3;2 |
8e040 | 2d 33 2d 33 3b 00 02 31 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | -3-3;..12.....3;1-2-3;2-2-3;2-1- |
8e060 | 31 39 3b 00 02 31 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 | 19;..13.....3;1-2-3;1-1-19;2-2-3 |
8e080 | 3b 00 02 31 34 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 32 | ;..14.....3;1-2-3;2-2-3;2-1-11;2 |
8e0a0 | 2d 31 2d 31 39 3b 00 02 31 35 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 | -1-19;..15.....19;1-1-3;2-2-3;.. |
8e0c0 | 00 02 73 6d 69 6c 65 73 00 1d 00 00 00 4e 63 31 63 63 63 32 63 28 63 31 29 6e 63 31 63 28 63 32 | ..smiles.....Nc1ccc2c(c1)nc1c(c2 |
8e0e0 | 29 63 63 63 28 63 31 29 4e 00 09 75 70 64 61 74 65 64 5f 61 74 00 b4 88 7d 46 50 01 00 00 09 63 | )ccc(c1)N..updated_at...}FP....c |
8e100 | 72 65 61 74 65 64 5f 61 74 00 50 7b 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.P{}FP....default_finge |
8e120 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 4f 00 00 00 49 6e 43 68 49 | rprint_size......inchi.O...InChI |
8e140 | 3d 31 53 2f 43 31 33 48 31 31 4e 33 2f 63 31 34 2d 31 30 2d 33 2d 31 2d 38 2d 35 2d 39 2d 32 2d | =1S/C13H11N3/c14-10-3-1-8-5-9-2- |
8e160 | 34 2d 31 31 28 31 35 29 37 2d 31 33 28 39 29 31 36 2d 31 32 28 38 29 36 2d 31 30 2f 68 31 2d 37 | 4-11(15)7-13(9)16-12(8)6-10/h1-7 |
8e180 | 48 2c 31 34 2d 31 35 48 32 00 00 a7 02 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 6b | H,14-15H2......._id.V.$8+r.0...k |
8e1a0 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b2 01 00 | .warnings.......fingerprints.... |
8e1c0 | 00 04 4d 50 32 44 00 a7 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b | ..MP2D......0.....1;1-1-1;2-1-2; |
8e1e0 | 00 02 31 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d | ..1.....1;1-1-1;1-1-2;2-1-9;2-1- |
8e200 | 32 38 3b 00 02 32 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b | 28;..2."...2;1-1-1;1-1-9;1-1-28; |
8e220 | 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d | 2-1-1;2-1-3;..3.....9;1-1-2;2-1- |
8e240 | 31 3b 32 2d 31 2d 32 38 3b 00 02 34 00 22 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b | 1;2-1-28;..4."...28;1-1-2;1-1-3; |
8e260 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 32 2d | 2-1-1;2-2-3;2-1-9;..5.....3;1-2- |
8e280 | 33 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 16 00 00 00 33 3b 31 | 3;1-1-28;2-1-2;2-2-3;..6.....3;1 |
8e2a0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d | -2-3;2-2-3;2-1-28;..7.....3;1-2- |
8e2c0 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 38 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 3;2-2-3;2-1-15;..8.....3;1-2-3;1 |
8e2e0 | 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 39 00 1d 00 00 00 33 3b 31 2d 32 | -1-15;2-2-3;2-1-15;..9.....3;1-2 |
8e300 | 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 30 00 1d 00 00 00 | -3;1-1-15;2-2-3;2-1-15;..10..... |
8e320 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 02 31 31 | 3;1-2-3;2-2-3;2-1-15;2-1-28;..11 |
8e340 | 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 10 00 00 00 31 35 3b | .....15;1-1-3;2-2-3;..12.....15; |
8e360 | 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 43 43 43 28 3d | 1-1-3;2-2-3;....smiles.....CCC(= |
8e380 | 4f 29 4e 63 31 63 63 63 28 63 28 63 31 29 43 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 | O)Nc1ccc(c(c1)Cl)Cl..updated_at. |
8e3a0 | eb 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 57 7b 7d 46 50 01 00 00 10 64 65 66 | ..}FP....created_at.W{}FP....def |
8e3c0 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
8e3e0 | 00 4c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 39 43 6c 32 4e 4f 2f 63 31 2d 32 2d 39 28 31 | .L...InChI=1S/C9H9Cl2NO/c1-2-9(1 |
8e400 | 33 29 31 32 2d 36 2d 33 2d 34 2d 37 28 31 30 29 38 28 31 31 29 35 2d 36 2f 68 33 2d 35 48 2c 32 | 3)12-6-3-4-7(10)8(11)5-6/h3-5H,2 |
8e420 | 48 32 2c 31 48 33 2c 28 48 2c 31 32 2c 31 33 29 00 00 19 04 00 00 07 5f 69 64 00 56 16 24 38 2b | H2,1H3,(H,12,13)......._id.V.$8+ |
8e440 | 72 ed 30 fb 00 00 6c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.0...l.warnings.......fingerpri |
8e460 | 6e 74 73 00 ee 02 00 00 04 4d 50 32 44 00 e3 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 | nts......MP2D......0.....1;1-1-1 |
8e480 | 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 | ;2-1-1;..1.....1;1-2-1;2-1-1;..2 |
8e4a0 | 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 00 1b 00 00 | .....1;1-2-1;2-2-1;2-1-8;..3.... |
8e4c0 | 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 00 1b | .1;1-2-1;1-1-8;2-2-1;2-1-8;..4.. |
8e4e0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 | ...1;1-1-1;1-1-8;2-2-1;2-1-8;..5 |
8e500 | 00 1b 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 | .....8;1-2-1;2-2-1;2-1-3;2-1-8;. |
8e520 | 02 36 00 28 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 32 2d 38 3b 32 2d 32 2d 31 | .6.(...1;1-1-1;1-1-3;1-2-8;2-2-1 |
8e540 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 37 00 1b 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d | ;2-2-3;2-1-11;..7.....8;1-2-1;2- |
8e560 | 33 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b | 3-1;2-1-3;2-1-8;..8.#...1;1-1-1; |
8e580 | 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 39 00 2a 00 | 1-1-11;2-2-3;2-2-8;2-1-11;..9.*. |
8e5a0 | 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d | ..11;1-1-1;1-1-3;1-1-11;2-1-1;2- |
8e5c0 | 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 | 1-3;2-1-11;..10.....3;1-2-11;2-1 |
8e5e0 | 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 11 00 00 00 31 31 3b 31 2d 32 2d | -1;2-1-3;2-1-11;..11.....11;1-2- |
8e600 | 33 3b 32 2d 32 2d 31 31 3b 00 02 31 32 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 33 | 3;2-2-11;..12.....3;1-2-11;2-1-3 |
8e620 | 3b 32 2d 31 2d 31 31 3b 00 02 31 33 00 24 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 | ;2-1-11;..13.$...11;1-1-3;1-1-11 |
8e640 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 34 00 28 00 00 00 33 3b 31 | ;2-1-1;2-1-3;2-1-11;..14.(...3;1 |
8e660 | 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b 32 2d 31 | -1-1;1-2-3;2-1-1;2-2-3;2-2-8;2-1 |
8e680 | 2d 31 35 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | -15;..15.....3;1-2-3;2-1-1;2-2-3 |
8e6a0 | 3b 00 02 31 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 | ;..16.....3;1-2-3;2-2-3;2-1-15;. |
8e6c0 | 02 31 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 31 | .17.....3;1-2-3;1-1-15;2-2-3;..1 |
8e6e0 | 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 31 39 00 | 8.....3;1-2-3;2-2-3;2-2-15;..19. |
8e700 | 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | ....3;1-2-3;1-1-15;2-1-1;2-2-3;. |
8e720 | 02 32 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 31 00 10 00 00 00 | .20.....15;1-1-3;2-2-3;..21..... |
8e740 | 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 25 00 00 00 43 43 | 15;1-1-3;2-2-3;....smiles.%...CC |
8e760 | 43 43 31 43 4f 43 28 4f 31 29 28 43 6e 31 63 6e 63 6e 31 29 63 31 63 63 63 28 63 63 31 43 6c 29 | CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl) |
8e780 | 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 ce 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | Cl..updated_at...}FP....created_ |
8e7a0 | 61 74 00 5f 7b 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at._{}FP....default_fingerprint_ |
8e7c0 | 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 76 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 | size......inchi.v...InChI=1S/C15 |
8e7e0 | 48 31 37 43 6c 32 4e 33 4f 32 2f 63 31 2d 32 2d 33 2d 31 32 2d 37 2d 32 31 2d 31 35 28 32 32 2d | H17Cl2N3O2/c1-2-3-12-7-21-15(22- |
8e800 | 31 32 2c 38 2d 32 30 2d 31 30 2d 31 38 2d 39 2d 31 39 2d 32 30 29 31 33 2d 35 2d 34 2d 31 31 28 | 12,8-20-10-18-9-19-20)13-5-4-11( |
8e820 | 31 36 29 36 2d 31 34 28 31 33 29 31 37 2f 68 34 2d 36 2c 39 2d 31 30 2c 31 32 48 2c 32 2d 33 2c | 16)6-14(13)17/h4-6,9-10,12H,2-3, |
8e840 | 37 2d 38 48 32 2c 31 48 33 00 00 25 02 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 6d | 7-8H2,1H3..%...._id.V.$8+r.0...m |
8e860 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 51 01 00 | .warnings.......fingerprints.Q.. |
8e880 | 00 04 4d 50 32 44 00 46 01 00 00 02 30 00 16 00 00 00 32 38 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 | ..MP2D.F....0.....28;1-1-2;2-1-3 |
8e8a0 | 3b 32 2d 31 2d 39 3b 00 02 31 00 23 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 | ;2-1-9;..1.#...2;1-1-3;1-1-9;1-1 |
8e8c0 | 2d 32 38 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 00 16 00 00 00 39 3b 31 2d 31 2d 32 | -28;2-1-3;2-1-11;..2.....9;1-1-2 |
8e8e0 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 33 00 30 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d | ;2-1-3;2-1-28;..3.0...3;1-1-2;1- |
8e900 | 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 32 2d | 1-3;1-1-11;2-1-3;2-1-9;2-1-11;2- |
8e920 | 31 2d 32 38 3b 00 02 34 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d | 1-28;..4.#...3;1-1-3;1-1-11;2-1- |
8e940 | 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 35 00 10 00 00 00 31 31 3b 31 2d 32 2d 33 3b | 2;2-1-3;2-1-11;..5.....11;1-2-3; |
8e960 | 32 2d 32 2d 33 3b 00 02 36 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 | 2-2-3;..6.....3;1-1-3;1-1-11;2-1 |
8e980 | 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 37 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 | -3;2-1-11;..7.....3;1-1-3;1-1-11 |
8e9a0 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 16 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 | ;2-1-3;2-1-11;..8.....11;1-2-3;2 |
8e9c0 | 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 0f 00 00 00 4e 43 28 3d 4f 29 | -1-2;2-2-3;....smiles.....NC(=O) |
8e9e0 | 63 31 63 6e 63 63 6e 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 ba 88 7d 46 50 01 00 00 09 63 72 | c1cnccn1..updated_at...}FP....cr |
8ea00 | 65 61 74 65 64 5f 61 74 00 66 7b 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at.f{}FP....default_finger |
8ea20 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 35 00 00 00 49 6e 43 68 49 3d | print_size......inchi.5...InChI= |
8ea40 | 31 53 2f 43 35 48 35 4e 33 4f 2f 63 36 2d 35 28 39 29 34 2d 33 2d 37 2d 31 2d 32 2d 38 2d 34 2f | 1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/ |
8ea60 | 68 31 2d 33 48 2c 28 48 32 2c 36 2c 39 29 00 00 b2 01 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed | h1-3H,(H2,6,9)......._id.V.$8+r. |
8ea80 | 30 fb 00 00 6e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | 0...n.warnings.......fingerprint |
8eaa0 | 73 00 e6 00 00 00 04 4d 50 32 44 00 db 00 00 00 02 30 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 32 | s......MP2D......0.....1;1-1-1;2 |
8eac0 | 2d 31 2d 31 3b 32 2d 31 2d 34 3b 32 2d 31 2d 38 3b 00 02 31 00 21 00 00 00 31 3b 31 2d 32 2d 31 | -1-1;2-1-4;2-1-8;..1.!...1;1-2-1 |
8eae0 | 3b 31 2d 31 2d 34 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 34 3b 00 02 32 00 1b 00 00 | ;1-1-4;1-1-8;2-1-1;2-1-4;..2.... |
8eb00 | 00 34 3b 31 2d 31 2d 31 3b 31 2d 31 2d 34 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 00 0f | .4;1-1-1;1-1-4;2-2-1;2-1-8;..3.. |
8eb20 | 00 00 00 34 3b 31 2d 31 2d 34 3b 32 2d 31 2d 31 3b 00 02 34 00 1b 00 00 00 31 3b 31 2d 32 2d 31 | ...4;1-1-4;2-1-1;..4.....1;1-2-1 |
8eb40 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 34 3b 32 2d 31 2d 38 3b 00 02 35 00 0f 00 00 00 31 3b 31 2d 31 | ;2-1-1;2-1-4;2-1-8;..5.....1;1-1 |
8eb60 | 2d 31 3b 32 2d 31 2d 31 3b 00 02 36 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 | -1;2-1-1;..6.....8;1-1-1;2-2-1;2 |
8eb80 | 2d 31 2d 34 3b 00 00 00 02 73 6d 69 6c 65 73 00 0d 00 00 00 43 43 28 43 23 43 29 28 43 43 29 4f | -1-4;....smiles.....CC(C#C)(CC)O |
8eba0 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 bc 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at...}FP....created_at |
8ebc0 | 00 71 7b 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | .q{}FP....default_fingerprint_si |
8ebe0 | 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 2f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 30 | ze......inchi./...InChI=1S/C6H10 |
8ec00 | 4f 2f 63 31 2d 34 2d 36 28 33 2c 37 29 35 2d 32 2f 68 31 2c 37 48 2c 35 48 32 2c 32 2d 33 48 33 | O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3 |
8ec20 | 00 00 7a 05 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 6f 04 77 61 72 6e 69 6e 67 73 | ..z...._id.V.$8+r.0...o.warnings |
8ec40 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 1d 04 00 00 04 4d 50 32 44 00 12 04 | .......fingerprints......MP2D... |
8ec60 | 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 31 | ...0.....1;1-1-1;2-1-8;..1.....1 |
8ec80 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 32 00 21 00 00 00 38 3b 31 2d 31 | ;1-1-1;1-1-8;2-1-2;..2.!...8;1-1 |
8eca0 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 21 | -1;1-1-2;2-1-1;2-1-3;2-1-9;..3.! |
8ecc0 | 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 | ...2;1-1-3;1-1-8;1-1-9;2-1-1;2-2 |
8ece0 | 2d 33 3b 00 02 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 | -3;..4.....9;1-1-2;2-1-3;2-1-8;. |
8ed00 | 02 35 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 | .5.'...3;1-1-2;1-2-3;2-1-2;2-2-3 |
8ed20 | 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | ;2-1-8;2-1-9;..6.....3;1-2-3;2-1 |
8ed40 | 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | -2;2-2-3;..7.....3;1-2-3;2-2-3;. |
8ed60 | 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 15 00 00 00 33 3b 31 | .8.....3;1-2-3;2-2-3;..9.....3;1 |
8ed80 | 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 30 00 1b 00 00 00 33 3b 31 2d 31 2d | -2-3;2-1-2;2-2-3;..10.....3;1-1- |
8eda0 | 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 34 2d 33 3b 00 02 31 31 00 0f 00 00 00 32 3b 31 | 2;1-2-3;2-1-2;2-4-3;..11.....2;1 |
8edc0 | 2d 33 2d 33 3b 32 2d 36 2d 33 3b 00 02 31 32 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d | -3-3;2-6-3;..12.....3;1-1-2;1-2- |
8ede0 | 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 33 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;2-4-3;2-1-8;..13.....3;1-2-3;2 |
8ee00 | 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 34 00 1c 00 00 00 33 3b 31 2d 31 2d | -1-1;2-1-2;2-2-3;..14.....3;1-1- |
8ee20 | 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 35 00 0f 00 00 00 31 3b | 1;1-2-3;2-2-3;2-1-19;..15.....1; |
8ee40 | 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | 1-1-3;2-2-3;..16.....3;1-2-3;1-1 |
8ee60 | 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 | -19;2-2-1;2-2-3;..17.....3;1-2-3 |
8ee80 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 39 3b 00 02 31 38 00 1b 00 00 00 33 3b 31 | ;2-2-3;2-1-8;2-1-19;..18.....3;1 |
8eea0 | 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 02 31 39 00 0f 00 00 00 | -2-3;1-1-8;2-1-2;2-3-3;..19..... |
8eec0 | 38 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 32 30 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 8;1-2-3;2-4-3;..20.....3;1-2-3;1 |
8eee0 | 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 02 32 31 00 1b 00 00 00 33 3b 31 2d 31 2d | -1-8;2-1-2;2-3-3;..21.....3;1-1- |
8ef00 | 32 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 32 00 1b 00 00 00 33 3b 31 | 2;1-2-3;2-4-3;2-1-8;..22.....3;1 |
8ef20 | 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 33 00 1c 00 00 00 | -2-3;2-1-1;2-1-2;2-2-3;..23..... |
8ef40 | 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 32 34 00 | 3;1-1-1;1-2-3;2-2-3;2-1-19;..24. |
8ef60 | 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 35 00 1c 00 00 00 33 3b 31 2d 32 | ....1;1-1-3;2-2-3;..25.....3;1-2 |
8ef80 | 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 36 00 1c 00 00 00 33 | -3;1-1-19;2-2-1;2-2-3;..26.....3 |
8efa0 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 39 3b 00 02 32 37 00 1c | ;1-2-3;2-2-3;2-1-8;2-1-19;..27.. |
8efc0 | 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 | ...19;1-1-1;1-1-3;2-1-1;2-2-3;.. |
8efe0 | 32 38 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 00 02 32 39 | 28.....1;1-1-1;1-1-19;2-1-3;..29 |
8f000 | 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 33 30 00 1c 00 00 00 31 39 3b | .....1;1-1-1;2-1-19;..30.....19; |
8f020 | 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 31 00 16 00 00 | 1-1-1;1-1-3;2-1-1;2-2-3;..31.... |
8f040 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 00 02 33 32 00 10 00 00 00 31 | .1;1-1-1;1-1-19;2-1-3;..32.....1 |
8f060 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 39 00 00 00 43 43 4f | ;1-1-1;2-1-19;....smiles.9...CCO |
8f080 | 43 28 3d 4f 29 63 31 63 63 63 63 63 31 43 31 3d 63 32 63 63 28 43 29 63 28 63 63 32 3d 5b 4f 5d | C(=O)c1ccccc1C1=c2cc(C)c(cc2=[O] |
8f0a0 | 63 32 63 31 63 63 28 43 29 63 28 63 32 29 4e 43 43 29 4e 43 43 00 09 75 70 64 61 74 65 64 5f 61 | c2c1cc(C)c(c2)NCC)NCC..updated_a |
8f0c0 | 74 00 c0 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 7b 7b 7d 46 50 01 00 00 10 64 | t...}FP....created_at.{{}FP....d |
8f0e0 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 | efault_fingerprint_size......inc |
8f100 | 68 69 00 94 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 38 48 33 31 4e 32 4f 33 2f 63 31 2d 36 2d | hi.....InChI=1S/C28H31N2O3/c1-6- |
8f120 | 32 39 2d 32 33 2d 31 35 2d 32 35 2d 32 31 28 31 33 2d 31 37 28 32 33 29 34 29 32 37 28 31 39 2d | 29-23-15-25-21(13-17(23)4)27(19- |
8f140 | 31 31 2d 39 2d 31 30 2d 31 32 2d 32 30 28 31 39 29 32 38 28 33 31 29 33 32 2d 38 2d 33 29 32 32 | 11-9-10-12-20(19)28(31)32-8-3)22 |
8f160 | 2d 31 34 2d 31 38 28 35 29 32 34 28 33 30 2d 37 2d 32 29 31 36 2d 32 36 28 32 32 29 33 33 2d 32 | -14-18(5)24(30-7-2)16-26(22)33-2 |
8f180 | 35 2f 68 39 2d 31 36 2c 32 39 2d 33 30 48 2c 36 2d 38 48 32 2c 31 2d 35 48 33 00 00 9c 02 00 00 | 5/h9-16,29-30H,6-8H2,1-5H3...... |
8f1a0 | 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 70 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V.$8+r.0...p.warnings...... |
8f1c0 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b4 01 00 00 04 4d 50 32 44 00 a9 01 00 00 02 30 00 16 | .fingerprints......MP2D......0.. |
8f1e0 | 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 00 23 00 00 00 | ...9;1-1-2;2-1-3;2-1-28;..1.#... |
8f200 | 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 | 2;1-1-3;1-1-9;1-1-28;2-2-3;2-1-3 |
8f220 | 30 3b 00 02 32 00 1d 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 30 3b 32 2d 32 2d 33 3b | 0;..2.....28;1-1-2;1-1-30;2-2-3; |
8f240 | 32 2d 33 2d 39 3b 00 02 33 00 23 00 00 00 33 30 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 31 2d 31 | 2-3-9;..3.#...30;1-1-3;1-2-9;1-1 |
8f260 | 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 00 1d 00 00 00 39 3b 31 2d 31 2d 33 30 | -28;2-1-2;2-2-3;..4.....9;1-1-30 |
8f280 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 35 00 1d 00 00 00 39 3b 31 2d | ;2-1-3;2-1-9;2-1-28;..5.....9;1- |
8f2a0 | 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 36 00 29 00 00 00 | 1-30;2-1-3;2-1-9;2-1-28;..6.)... |
8f2c0 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 | 3;1-2-3;1-1-30;2-1-2;2-2-3;2-2-9 |
8f2e0 | 3b 32 2d 31 2d 32 38 3b 00 02 37 00 29 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d | ;2-1-28;..7.)...3;1-1-2;1-2-3;2- |
8f300 | 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 32 2d 31 2d 33 30 3b 00 02 38 00 15 00 00 00 | 2-3;2-1-9;2-1-28;2-1-30;..8..... |
8f320 | 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d | 3;1-2-3;2-1-2;2-2-3;..9.....3;1- |
8f340 | 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 2-3;2-2-3;..10.....3;1-2-3;2-2-3 |
8f360 | 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 | ;..11.....3;1-2-3;2-2-3;2-1-30;. |
8f380 | 00 00 02 73 6d 69 6c 65 73 00 18 00 00 00 4f 3d 43 31 4e 53 28 3d 4f 29 28 3d 4f 29 63 32 63 31 | ...smiles.....O=C1NS(=O)(=O)c2c1 |
8f3a0 | 63 63 63 63 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 c2 88 7d 46 50 01 00 00 09 63 72 65 61 74 | cccc2..updated_at...}FP....creat |
8f3c0 | 65 64 5f 61 74 00 82 7b 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at..{}FP....default_fingerpri |
8f3e0 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 40 00 00 00 49 6e 43 68 49 3d 31 53 2f | nt_size......inchi.@...InChI=1S/ |
8f400 | 43 37 48 35 4e 4f 33 53 2f 63 39 2d 37 2d 35 2d 33 2d 31 2d 32 2d 34 2d 36 28 35 29 31 32 28 31 | C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(1 |
8f420 | 30 2c 31 31 29 38 2d 37 2f 68 31 2d 34 48 2c 28 48 2c 38 2c 39 29 00 00 4c 04 00 00 07 5f 69 64 | 0,11)8-7/h1-4H,(H,8,9)..L...._id |
8f440 | 00 56 16 24 38 2b 72 ed 30 fb 00 00 71 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V.$8+r.0...q.warnings.......fin |
8f460 | 67 65 72 70 72 69 6e 74 73 00 15 03 00 00 04 4d 50 32 44 00 0a 03 00 00 02 30 00 16 00 00 00 31 | gerprints......MP2D......0.....1 |
8f480 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 00 23 00 00 00 31 3b 31 2d | ;1-1-1;2-1-1;2-1-28;..1.#...1;1- |
8f4a0 | 32 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 | 2-1;1-1-28;2-2-2;2-1-3;2-1-10;.. |
8f4c0 | 32 00 2a 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 32 2d 31 3b 32 2d 32 2d 39 | 2.*...28;1-1-1;1-2-2;2-2-1;2-2-9 |
8f4e0 | 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 32 38 3b 00 02 33 00 1c 00 00 00 32 3b 31 2d 31 2d 39 3b 31 | ;2-1-10;2-1-28;..3.....2;1-1-9;1 |
8f500 | 2d 32 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 00 10 00 00 00 39 3b 31 2d 31 2d | -2-28;2-2-1;2-1-2;..4.....9;1-1- |
8f520 | 32 3b 32 2d 32 2d 32 38 3b 00 02 35 00 23 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | 2;2-2-28;..5.#...28;1-1-1;1-1-2; |
8f540 | 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 36 00 1c 00 00 00 31 3b 31 2d 32 | 2-2-1;2-1-9;2-1-28;..6.....1;1-2 |
8f560 | 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 37 00 16 00 00 00 31 3b | -1;1-1-28;2-2-1;2-1-2;..7.....1; |
8f580 | 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 32 | 1-2-1;2-2-1;2-1-28;..8.....1;1-2 |
8f5a0 | 2d 31 3b 32 2d 32 2d 31 3b 00 02 39 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 | -1;2-2-1;..9.....1;1-2-1;2-2-1;. |
8f5c0 | 02 31 30 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 31 00 16 00 00 00 31 | .10.....1;1-2-1;2-2-1;..11.....1 |
8f5e0 | 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 23 00 00 00 32 3b 31 | ;1-2-1;2-2-1;2-1-28;..12.#...2;1 |
8f600 | 2d 31 2d 39 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 | -1-9;1-1-10;1-1-28;2-2-1;2-1-2;. |
8f620 | 02 31 33 00 17 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 32 38 3b 00 02 | .13.....9;1-1-2;2-1-10;2-1-28;.. |
8f640 | 31 34 00 29 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d | 14.)...10;1-1-1;1-1-2;2-1-1;2-1- |
8f660 | 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 35 00 2f 00 00 00 31 3b 31 2d 31 2d 31 3b | 3;2-1-9;2-1-28;..15./...1;1-1-1; |
8f680 | 31 2d 31 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 | 1-1-3;1-1-10;2-1-1;2-1-2;2-2-3;2 |
8f6a0 | 2d 31 2d 32 38 3b 00 02 31 36 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 | -1-28;..16."...3;1-1-1;1-2-3;2-1 |
8f6c0 | 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 | -1;2-2-3;2-1-10;..17.....3;1-2-3 |
8f6e0 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-1-1;2-2-3;..18.....3;1-2-3;2- |
8f700 | 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 2-3;2-1-15;..19.....3;1-2-3;1-1- |
8f720 | 31 35 3b 32 2d 32 2d 33 3b 00 02 32 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | 15;2-2-3;..20.....3;1-2-3;2-2-3; |
8f740 | 32 2d 31 2d 31 35 3b 00 02 32 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | 2-1-15;..21.....3;1-2-3;2-1-1;2- |
8f760 | 32 2d 33 3b 00 02 32 32 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 | 2-3;..22.....15;1-1-3;2-2-3;.... |
8f780 | 73 6d 69 6c 65 73 00 29 00 00 00 43 43 31 4e 28 43 28 3d 4f 29 4e 43 32 43 43 43 43 43 32 29 43 | smiles.)...CC1N(C(=O)NC2CCCCC2)C |
8f7a0 | 28 3d 4f 29 53 43 31 63 31 63 63 63 28 63 63 31 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 | (=O)SC1c1ccc(cc1)Cl..updated_at. |
8f7c0 | c4 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 8a 7b 7d 46 50 01 00 00 10 64 65 66 | ..}FP....created_at..{}FP....def |
8f7e0 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
8f800 | 00 7e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 37 48 32 31 43 6c 4e 32 4f 32 53 2f 63 31 2d 31 | .~...InChI=1S/C17H21ClN2O2S/c1-1 |
8f820 | 31 2d 31 35 28 31 32 2d 37 2d 39 2d 31 33 28 31 38 29 31 30 2d 38 2d 31 32 29 32 33 2d 31 37 28 | 1-15(12-7-9-13(18)10-8-12)23-17( |
8f840 | 32 32 29 32 30 28 31 31 29 31 36 28 32 31 29 31 39 2d 31 34 2d 35 2d 33 2d 32 2d 34 2d 36 2d 31 | 22)20(11)16(21)19-14-5-3-2-4-6-1 |
8f860 | 34 2f 68 37 2d 31 31 2c 31 34 2d 31 35 48 2c 32 2d 36 48 32 2c 31 48 33 2c 28 48 2c 31 39 2c 32 | 4/h7-11,14-15H,2-6H2,1H3,(H,19,2 |
8f880 | 31 29 00 00 a5 02 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 72 04 77 61 72 6e 69 6e | 1)......._id.V.$8+r.0...r.warnin |
8f8a0 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ac 01 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
8f8c0 | a1 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 00 16 00 | .....0.....1;1-1-1;2-1-19;..1... |
8f8e0 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 00 02 32 00 1d 00 00 00 31 | ..1;1-1-1;1-1-19;2-1-3;..2.....1 |
8f900 | 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 31 3b 00 02 33 00 1d | 9;1-1-1;1-1-3;2-1-1;2-2-11;..3.. |
8f920 | 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | ...3;1-2-11;1-1-19;2-1-1;2-2-3;. |
8f940 | 02 34 00 18 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 32 2d 32 2d 31 39 3b 00 02 | .4.....11;1-2-3;2-2-11;2-2-19;.. |
8f960 | 35 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d | 5.....3;1-2-11;1-1-19;2-1-1;2-2- |
8f980 | 33 3b 00 02 36 00 1d 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 | 3;..6.....19;1-1-1;1-1-3;2-1-1;2 |
8f9a0 | 2d 32 2d 31 31 3b 00 02 37 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 | -2-11;..7.....1;1-1-1;1-1-19;2-1 |
8f9c0 | 2d 33 3b 00 02 38 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 39 00 1f 00 | -3;..8.....1;1-1-1;2-1-19;..9... |
8f9e0 | 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 31 39 3b | ..11;1-2-3;2-2-11;2-1-15;2-1-19; |
8fa00 | 00 02 31 30 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 | ..10.....3;1-2-11;1-1-15;2-2-3;. |
8fa20 | 02 31 31 00 1f 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 31 35 3b 32 | .11.....11;1-2-3;2-2-11;2-1-15;2 |
8fa40 | 2d 31 2d 31 39 3b 00 02 31 32 00 11 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 | -1-19;..12.....15;1-1-3;2-2-11;. |
8fa60 | 00 00 02 73 6d 69 6c 65 73 00 15 00 00 00 43 43 4e 63 31 6e 63 28 4e 43 43 29 6e 63 28 6e 31 29 | ...smiles.....CCNc1nc(NCC)nc(n1) |
8fa80 | 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 b9 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | Cl..updated_at...}FP....created_ |
8faa0 | 61 74 00 91 7b 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at..{}FP....default_fingerprint_ |
8fac0 | 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 54 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 | size......inchi.T...InChI=1S/C7H |
8fae0 | 31 32 43 6c 4e 35 2f 63 31 2d 33 2d 39 2d 36 2d 31 31 2d 35 28 38 29 31 32 2d 37 28 31 33 2d 36 | 12ClN5/c1-3-9-6-11-5(8)12-7(13-6 |
8fb00 | 29 31 30 2d 34 2d 32 2f 68 33 2d 34 48 32 2c 31 2d 32 48 33 2c 28 48 32 2c 39 2c 31 30 2c 31 31 | )10-4-2/h3-4H2,1-2H3,(H2,9,10,11 |
8fb20 | 2c 31 32 2c 31 33 29 00 00 6e 02 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 73 04 77 | ,12,13)..n...._id.V.$8+r.0...s.w |
8fb40 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 6e 01 00 00 04 | arnings.......fingerprints.n.... |
8fb60 | 4d 50 32 44 00 63 01 00 00 02 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 35 3b | MP2D.c....0.....32;1-1-10;2-1-5; |
8fb80 | 32 2d 32 2d 39 3b 00 02 31 00 1d 00 00 00 31 30 3b 31 2d 31 2d 35 3b 31 2d 32 2d 39 3b 31 2d 31 | 2-2-9;..1.....10;1-1-5;1-2-9;1-1 |
8fba0 | 2d 33 32 3b 32 2d 31 2d 31 3b 00 02 32 00 1d 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 35 | -32;2-1-1;..2.....9;1-1-10;2-1-5 |
8fbc0 | 3b 32 2d 31 2d 39 3b 32 2d 31 2d 33 32 3b 00 02 33 00 1d 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 | ;2-1-9;2-1-32;..3.....9;1-1-10;2 |
8fbe0 | 2d 31 2d 35 3b 32 2d 31 2d 39 3b 32 2d 31 2d 33 32 3b 00 02 34 00 23 00 00 00 35 3b 31 2d 31 2d | -1-5;2-1-9;2-1-32;..4.#...5;1-1- |
8fc00 | 31 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 31 3b 32 2d 32 2d 39 3b 32 2d 31 2d 33 32 3b 00 02 35 00 | 1;1-1-10;2-2-1;2-2-9;2-1-32;..5. |
8fc20 | 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 30 3b 00 | ....1;1-2-1;1-1-5;2-2-1;2-1-10;. |
8fc40 | 02 36 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 37 00 0f | .6.....1;1-2-1;2-2-1;2-1-5;..7.. |
8fc60 | 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 32 2d 31 | ...1;1-2-1;2-2-1;..8.....1;1-2-1 |
8fc80 | 3b 32 2d 32 2d 31 3b 00 02 39 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 | ;2-2-1;..9.....1;1-2-1;2-2-1;..1 |
8fca0 | 30 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 31 00 04 | 0.....1;1-2-1;2-2-1;2-1-5;..11.. |
8fcc0 | 00 00 00 32 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 1d 00 00 00 5b 4f 2d 5d 53 28 3d 4f 29 28 3d | ...21;....smiles.....[O-]S(=O)(= |
8fce0 | 4f 29 4e 43 31 43 43 43 43 43 31 2e 5b 4e 61 2b 5d 00 09 75 70 64 61 74 65 64 5f 61 74 00 c9 88 | O)NC1CCCCC1.[Na+]..updated_at... |
8fd00 | 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 98 7b 7d 46 50 01 00 00 10 64 65 66 61 75 | }FP....created_at..{}FP....defau |
8fd20 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 53 | lt_fingerprint_size......inchi.S |
8fd40 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 33 4e 4f 33 53 2e 4e 61 2f 63 38 2d 31 31 28 39 | ...InChI=1S/C6H13NO3S.Na/c8-11(9 |
8fd60 | 2c 31 30 29 37 2d 36 2d 34 2d 32 2d 31 2d 33 2d 35 2d 36 3b 2f 68 36 2d 37 48 2c 31 2d 35 48 32 | ,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2 |
8fd80 | 2c 28 48 2c 38 2c 39 2c 31 30 29 3b 2f 71 3b 2b 31 2f 70 2d 31 00 00 d5 03 00 00 07 5f 69 64 00 | ,(H,8,9,10);/q;+1/p-1......._id. |
8fda0 | 56 16 24 38 2b 72 ed 30 fb 00 00 74 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V.$8+r.0...t.warnings.......fing |
8fdc0 | 65 72 70 72 69 6e 74 73 00 b2 02 00 00 04 4d 50 32 44 00 a7 02 00 00 02 30 00 0f 00 00 00 31 3b | erprints......MP2D......0.....1; |
8fde0 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d | 1-1-1;2-1-1;..1.....1;1-2-1;2-1- |
8fe00 | 31 3b 00 02 32 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 00 0f 00 00 00 | 1;..2.....1;1-2-1;2-2-1;..3..... |
8fe20 | 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 34 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d | 1;1-2-1;2-2-1;..4.....1;1-2-1;2- |
8fe40 | 32 2d 31 3b 00 02 35 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 36 00 0f 00 | 2-1;..5.....1;1-2-1;2-2-1;..6... |
8fe60 | 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b | ..1;1-2-1;2-2-1;..7.....1;1-2-1; |
8fe80 | 32 2d 32 2d 31 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 39 00 | 2-2-1;..8.....1;1-2-1;2-2-1;..9. |
8fea0 | 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 30 00 21 00 00 | ....1;1-2-1;2-1-1;2-1-2;..10.!.. |
8fec0 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 | .1;1-1-1;1-1-2;2-1-1;2-1-8;2-1-9 |
8fee0 | 3b 00 02 31 31 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d | ;..11.....2;1-1-1;1-1-8;1-1-9;2- |
8ff00 | 32 2d 31 3b 00 02 31 32 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 | 2-1;..12.....9;1-1-2;2-1-1;2-1-8 |
8ff20 | 3b 00 02 31 33 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d | ;..13.....8;1-1-1;1-1-2;2-2-1;2- |
8ff40 | 31 2d 39 3b 00 02 31 34 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 | 1-9;..14.!...1;1-1-1;1-1-8;2-1-1 |
8ff60 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 35 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d | ;2-1-2;2-1-8;..15.....1;1-2-1;1- |
8ff80 | 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 00 02 31 36 00 1b 00 00 00 31 3b 31 2d 32 2d 31 | 1-8;2-1-1;2-2-8;..16.....1;1-2-1 |
8ffa0 | 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 32 2d 38 3b 00 02 31 37 00 0f 00 00 00 38 3b 31 2d | ;1-1-8;2-3-1;2-2-8;..17.....8;1- |
8ffc0 | 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 38 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 | 2-1;2-3-1;..18.....1;1-1-1;1-1-8 |
8ffe0 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 39 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d | ;2-2-1;2-1-8;..19.....1;1-2-1;1- |
90000 | 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 00 02 32 30 00 1b 00 00 00 31 3b 31 2d 32 2d 31 | 1-8;2-1-1;2-2-8;..20.....1;1-2-1 |
90020 | 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 32 31 00 0f 00 00 00 38 3b 31 2d | ;1-1-8;2-2-1;2-2-8;..21.....8;1- |
90040 | 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 32 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 | 1-1;2-2-1;..22.....8;1-1-1;2-2-1 |
90060 | 3b 00 02 32 33 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c | ;..23.....8;1-1-1;2-2-1;....smil |
90080 | 65 73 00 22 00 00 00 43 43 43 43 43 43 43 43 43 43 43 43 28 3d 4f 29 4f 43 43 28 43 31 4f 43 43 | es."...CCCCCCCCCCCC(=O)OCC(C1OCC |
900a0 | 28 43 31 4f 29 4f 29 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 cc 88 7d 46 50 01 00 00 09 63 72 | (C1O)O)O..updated_at...}FP....cr |
900c0 | 65 61 74 65 64 5f 61 74 00 a1 7b 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at..{}FP....default_finger |
900e0 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 71 00 00 00 49 6e 43 68 49 3d | print_size......inchi.q...InChI= |
90100 | 31 53 2f 43 31 38 48 33 34 4f 36 2f 63 31 2d 32 2d 33 2d 34 2d 35 2d 36 2d 37 2d 38 2d 39 2d 31 | 1S/C18H34O6/c1-2-3-4-5-6-7-8-9-1 |
90120 | 30 2d 31 31 2d 31 36 28 32 31 29 32 33 2d 31 33 2d 31 35 28 32 30 29 31 38 2d 31 37 28 32 32 29 | 0-11-16(21)23-13-15(20)18-17(22) |
90140 | 31 34 28 31 39 29 31 32 2d 32 34 2d 31 38 2f 68 31 34 2d 31 35 2c 31 37 2d 32 30 2c 32 32 48 2c | 14(19)12-24-18/h14-15,17-20,22H, |
90160 | 32 2d 31 33 48 32 2c 31 48 33 00 00 77 04 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 | 2-13H2,1H3..w...._id.V.$8+r.0... |
90180 | 75 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 3c 03 | u.warnings.......fingerprints.<. |
901a0 | 00 00 04 4d 50 32 44 00 31 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 | ...MP2D.1....0.....1;1-1-1;2-1-1 |
901c0 | 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 00 0f 00 00 00 31 | ;..1.....1;1-2-1;2-1-1;..2.....1 |
901e0 | 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 | ;1-2-1;2-2-1;..3.....1;1-2-1;2-2 |
90200 | 2d 31 3b 00 02 34 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 35 00 0f 00 00 | -1;..4.....1;1-2-1;2-2-1;..5.... |
90220 | 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 36 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 | .1;1-2-1;2-2-1;..6.....1;1-2-1;2 |
90240 | 2d 32 2d 31 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 38 00 0f | -2-1;..7.....1;1-2-1;2-2-1;..8.. |
90260 | 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 39 00 0f 00 00 00 31 3b 31 2d 32 2d 31 | ...1;1-2-1;2-2-1;..9.....1;1-2-1 |
90280 | 3b 32 2d 32 2d 31 3b 00 02 31 30 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 | ;2-2-1;..10.....1;1-2-1;2-2-1;.. |
902a0 | 31 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 32 00 0f 00 00 00 31 3b | 11.....1;1-2-1;2-2-1;..12.....1; |
902c0 | 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 33 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 | 1-2-1;2-2-1;..13.....1;1-2-1;2-2 |
902e0 | 2d 31 3b 00 02 31 34 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 35 00 15 | -1;..14.....1;1-2-1;2-2-1;..15.. |
90300 | 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 36 00 21 00 00 00 | ...1;1-2-1;2-1-1;2-1-2;..16.!... |
90320 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b | 1;1-1-1;1-1-2;2-1-1;2-1-8;2-1-9; |
90340 | 00 02 31 37 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 | ..17.....2;1-1-1;1-1-8;1-1-9;2-2 |
90360 | 2d 31 3b 00 02 31 38 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b | -1;..18.....9;1-1-2;2-1-1;2-1-8; |
90380 | 00 02 31 39 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 | ..19.....8;1-1-1;1-1-2;2-2-1;2-1 |
903a0 | 2d 39 3b 00 02 32 30 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b | -9;..20.!...1;1-1-1;1-1-8;2-1-1; |
903c0 | 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 31 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 | 2-1-2;2-1-8;..21.....1;1-2-1;1-1 |
903e0 | 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 00 02 32 32 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b | -8;2-1-1;2-2-8;..22.....1;1-2-1; |
90400 | 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 32 2d 38 3b 00 02 32 33 00 0f 00 00 00 38 3b 31 2d 32 | 1-1-8;2-3-1;2-2-8;..23.....8;1-2 |
90420 | 2d 31 3b 32 2d 33 2d 31 3b 00 02 32 34 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b | -1;2-3-1;..24.....1;1-1-1;1-1-8; |
90440 | 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 35 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 | 2-2-1;2-1-8;..25.....1;1-2-1;1-1 |
90460 | 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 00 02 32 36 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b | -8;2-1-1;2-2-8;..26.....1;1-2-1; |
90480 | 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 32 37 00 0f 00 00 00 38 3b 31 2d 31 | 1-1-8;2-2-1;2-2-8;..27.....8;1-1 |
904a0 | 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 38 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b | -1;2-2-1;..28.....8;1-1-1;2-2-1; |
904c0 | 00 02 32 39 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 | ..29.....8;1-1-1;2-2-1;....smile |
904e0 | 73 00 28 00 00 00 43 43 43 43 43 43 43 43 43 43 43 43 43 43 43 43 43 43 28 3d 4f 29 4f 43 43 28 | s.(...CCCCCCCCCCCCCCCCCC(=O)OCC( |
90500 | 43 31 4f 43 43 28 43 31 4f 29 4f 29 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 ce 88 7d 46 50 01 | C1OCC(C1O)O)O..updated_at...}FP. |
90520 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ab 7b 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at..{}FP....default_f |
90540 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 83 00 00 00 49 | ingerprint_size......inchi.....I |
90560 | 6e 43 68 49 3d 31 53 2f 43 32 34 48 34 36 4f 36 2f 63 31 2d 32 2d 33 2d 34 2d 35 2d 36 2d 37 2d | nChI=1S/C24H46O6/c1-2-3-4-5-6-7- |
90580 | 38 2d 39 2d 31 30 2d 31 31 2d 31 32 2d 31 33 2d 31 34 2d 31 35 2d 31 36 2d 31 37 2d 32 32 28 32 | 8-9-10-11-12-13-14-15-16-17-22(2 |
905a0 | 37 29 32 39 2d 31 39 2d 32 31 28 32 36 29 32 34 2d 32 33 28 32 38 29 32 30 28 32 35 29 31 38 2d | 7)29-19-21(26)24-23(28)20(25)18- |
905c0 | 33 30 2d 32 34 2f 68 32 30 2d 32 31 2c 32 33 2d 32 36 2c 32 38 48 2c 32 2d 31 39 48 32 2c 31 48 | 30-24/h20-21,23-26,28H,2-19H2,1H |
905e0 | 33 00 00 19 03 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 76 04 77 61 72 6e 69 6e 67 | 3......._id.V.$8+r.0...v.warning |
90600 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 12 02 00 00 04 4d 50 32 44 00 07 | s.......fingerprints......MP2D.. |
90620 | 02 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 00 16 00 00 | ....0.....1;1-1-1;2-1-19;..1.... |
90640 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 00 02 32 00 1d 00 00 00 31 39 | .1;1-1-1;1-1-19;2-1-3;..2.....19 |
90660 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 31 3b 00 02 33 00 1d 00 | ;1-1-1;1-1-3;2-1-1;2-2-11;..3... |
90680 | 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 | ..3;1-2-11;1-1-19;2-1-1;2-2-3;.. |
906a0 | 34 00 1f 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 32 2d 32 2d 31 31 3b 32 2d 31 | 4.....11;1-2-3;2-1-10;2-2-11;2-1 |
906c0 | 2d 31 39 3b 00 02 35 00 1d 00 00 00 33 3b 31 2d 31 2d 31 30 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d | -19;..5.....3;1-1-10;1-2-11;2-1- |
906e0 | 31 3b 32 2d 32 2d 33 3b 00 02 36 00 17 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 | 1;2-2-3;..6.....10;1-1-1;1-1-3;2 |
90700 | 2d 32 2d 31 31 3b 00 02 37 00 10 00 00 00 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 00 02 38 | -2-11;..7.....1;1-1-10;2-1-3;..8 |
90720 | 00 1f 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d | .....11;1-2-3;2-1-10;2-2-11;2-1- |
90740 | 31 39 3b 00 02 39 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 | 19;..9.....3;1-2-11;1-1-19;2-1-1 |
90760 | 3b 32 2d 32 2d 33 3b 00 02 31 30 00 18 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b | ;2-2-3;..10.....11;1-2-3;2-2-11; |
90780 | 32 2d 32 2d 31 39 3b 00 02 31 31 00 1d 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 | 2-2-19;..11.....19;1-1-1;1-1-3;2 |
907a0 | 2d 33 2d 31 3b 32 2d 32 2d 31 31 3b 00 02 31 32 00 16 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 | -3-1;2-2-11;..12.....1;1-3-1;1-1 |
907c0 | 2d 31 39 3b 32 2d 31 2d 33 3b 00 02 31 33 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 | -19;2-1-3;..13.....1;1-1-1;2-2-1 |
907e0 | 3b 32 2d 31 2d 31 39 3b 00 02 31 34 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 | ;2-1-19;..14.....1;1-1-1;2-2-1;2 |
90800 | 2d 31 2d 31 39 3b 00 02 31 35 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 | -1-19;..15.....1;1-1-1;2-2-1;2-1 |
90820 | 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 1b 00 00 00 43 43 4e 63 31 6e 63 28 53 43 29 6e 63 | -19;....smiles.....CCNc1nc(SC)nc |
90840 | 28 6e 31 29 4e 43 28 43 29 28 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 d0 88 7d 46 50 01 | (n1)NC(C)(C)C..updated_at...}FP. |
90860 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 b8 7b 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at..{}FP....default_f |
90880 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 5c 00 00 00 49 | ingerprint_size......inchi.\...I |
908a0 | 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 39 4e 35 53 2f 63 31 2d 36 2d 31 31 2d 37 2d 31 32 2d 38 | nChI=1S/C10H19N5S/c1-6-11-7-12-8 |
908c0 | 28 31 35 2d 31 30 28 32 2c 33 29 34 29 31 34 2d 39 28 31 33 2d 37 29 31 36 2d 35 2f 68 36 48 32 | (15-10(2,3)4)14-9(13-7)16-5/h6H2 |
908e0 | 2c 31 2d 35 48 33 2c 28 48 32 2c 31 31 2c 31 32 2c 31 33 2c 31 34 2c 31 35 29 00 00 58 02 00 00 | ,1-5H3,(H2,11,12,13,14,15)..X... |
90900 | 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 77 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V.$8+r.0...w.warnings...... |
90920 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 72 01 00 00 04 4d 50 32 44 00 67 01 00 00 02 30 00 0f | .fingerprints.r....MP2D.g....0.. |
90940 | 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 1c 00 00 00 33 3b 31 2d 32 2d 33 | ...8;1-1-3;2-2-3;..1.....3;1-2-3 |
90960 | 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 32 00 15 00 00 00 33 3b 31 2d | ;1-1-8;2-2-3;2-1-15;..2.....3;1- |
90980 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | 2-3;2-2-3;2-1-8;..3.....3;1-2-3; |
909a0 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d | 2-1-1;2-2-3;..4.....3;1-1-1;1-2- |
909c0 | 33 3b 32 2d 33 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 3;2-3-1;2-2-3;..5.....3;1-2-3;2- |
909e0 | 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 | 1-1;2-2-3;2-1-15;..6.....3;1-2-3 |
90a00 | 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 10 00 00 00 31 35 3b 31 | ;1-1-15;2-2-3;2-1-8;..7.....15;1 |
90a20 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 33 | -1-3;2-2-3;..8.....1;1-3-1;1-1-3 |
90a40 | 3b 32 2d 32 2d 33 3b 00 02 39 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 | ;2-2-3;..9.....1;1-1-1;2-2-1;2-1 |
90a60 | 2d 33 3b 00 02 31 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b | -3;..10.....1;1-1-1;2-2-1;2-1-3; |
90a80 | 00 02 31 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 00 00 | ..11.....1;1-1-1;2-2-1;2-1-3;... |
90aa0 | 02 73 6d 69 6c 65 73 00 16 00 00 00 4f 63 31 63 63 63 28 63 63 31 43 6c 29 43 28 43 29 28 43 29 | .smiles.....Oc1ccc(cc1Cl)C(C)(C) |
90ac0 | 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 d3 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | C..updated_at...}FP....created_a |
90ae0 | 74 00 c1 7b 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t..{}FP....default_fingerprint_s |
90b00 | 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 40 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 | ize......inchi.@...InChI=1S/C10H |
90b20 | 31 33 43 6c 4f 2f 63 31 2d 31 30 28 32 2c 33 29 37 2d 34 2d 35 2d 39 28 31 32 29 38 28 31 31 29 | 13ClO/c1-10(2,3)7-4-5-9(12)8(11) |
90b40 | 36 2d 37 2f 68 34 2d 36 2c 31 32 48 2c 31 2d 33 48 33 00 00 0b 03 00 00 07 5f 69 64 00 56 16 24 | 6-7/h4-6,12H,1-3H3......._id.V.$ |
90b60 | 38 2b 72 ed 30 fb 00 00 78 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | 8+r.0...x.warnings.......fingerp |
90b80 | 72 69 6e 74 73 00 0c 02 00 00 04 4d 50 32 44 00 01 02 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 | rints......MP2D......0.....1;1-1 |
90ba0 | 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 | -1;2-1-28;..1.....1;1-1-1;1-1-28 |
90bc0 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 23 00 00 00 32 38 3b 31 2d 32 2d 31 3b 31 2d | ;2-1-1;2-1-2;..2.#...28;1-2-1;1- |
90be0 | 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 30 3b 00 02 33 00 1d 00 00 00 32 | 1-2;2-2-1;2-1-9;2-1-10;..3.....2 |
90c00 | 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 00 02 34 00 17 | ;1-1-9;1-1-10;1-1-28;2-3-1;..4.. |
90c20 | 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 32 38 3b 00 02 35 00 23 00 00 | ...9;1-1-2;2-1-10;2-1-28;..5.#.. |
90c40 | 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d | .10;1-1-1;1-1-2;2-1-3;2-1-9;2-1- |
90c60 | 32 38 3b 00 02 36 00 1c 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b | 28;..6.....1;1-1-3;1-1-10;2-1-2; |
90c80 | 32 2d 32 2d 33 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-2-3;..7.....3;1-1-1;1-2-3;2-2- |
90ca0 | 33 3b 32 2d 31 2d 31 30 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 | 3;2-1-10;..8.....3;1-2-3;2-1-1;2 |
90cc0 | 2d 32 2d 33 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | -2-3;..9.....3;1-2-3;2-2-3;2-1-1 |
90ce0 | 35 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b | 5;..10.....3;1-2-3;1-1-15;2-2-3; |
90d00 | 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 | ..11.....3;1-2-3;2-2-3;2-1-15;.. |
90d20 | 31 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 33 00 | 12.....3;1-2-3;2-1-1;2-2-3;..13. |
90d40 | 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 1c 00 00 00 31 3b 31 2d | ....15;1-1-3;2-2-3;..14.....1;1- |
90d60 | 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 35 00 10 00 00 00 | 1-1;1-1-28;2-1-1;2-1-2;..15..... |
90d80 | 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 1b 00 00 00 43 43 | 1;1-1-1;2-1-28;....smiles.....CC |
90da0 | 4e 28 43 28 3d 4f 29 53 43 63 31 63 63 63 28 63 63 31 29 43 6c 29 43 43 00 09 75 70 64 61 74 65 | N(C(=O)SCc1ccc(cc1)Cl)CC..update |
90dc0 | 64 5f 61 74 00 d5 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d2 7b 7d 46 50 01 00 | d_at...}FP....created_at..{}FP.. |
90de0 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 | ..default_fingerprint_size...... |
90e00 | 69 6e 63 68 69 00 54 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 36 43 6c 4e 4f 53 2f 63 | inchi.T...InChI=1S/C12H16ClNOS/c |
90e20 | 31 2d 33 2d 31 34 28 34 2d 32 29 31 32 28 31 35 29 31 36 2d 39 2d 31 30 2d 35 2d 37 2d 31 31 28 | 1-3-14(4-2)12(15)16-9-10-5-7-11( |
90e40 | 31 33 29 38 2d 36 2d 31 30 2f 68 35 2d 38 48 2c 33 2d 34 2c 39 48 32 2c 31 2d 32 48 33 00 00 2c | 13)8-6-10/h5-8H,3-4,9H2,1-2H3.., |
90e60 | 04 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 79 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V.$8+r.0...y.warnings... |
90e80 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 f8 02 00 00 04 4d 50 32 44 00 ed 02 00 00 02 | ....fingerprints......MP2D...... |
90ea0 | 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 31 00 1c 00 00 00 38 3b 31 2d | 0.....1;1-1-8;2-1-2;..1.....8;1- |
90ec0 | 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 32 00 22 00 00 00 32 | 1-1;1-1-2;2-1-9;2-1-28;..2."...2 |
90ee0 | 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b | ;1-1-8;1-1-9;1-1-28;2-1-1;2-1-2; |
90f00 | 00 02 33 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 34 | ..3.....9;1-1-2;2-1-8;2-1-28;..4 |
90f20 | 00 24 00 00 00 32 38 3b 31 2d 32 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 38 | .$...28;1-2-2;2-1-8;2-1-9;2-1-18 |
90f40 | 3b 32 2d 31 2d 32 38 3b 00 02 35 00 1d 00 00 00 32 3b 31 2d 31 2d 31 38 3b 31 2d 32 2d 32 38 3b | ;2-1-28;..5.....2;1-1-18;1-2-28; |
90f60 | 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 36 00 11 00 00 00 31 38 3b 31 2d 31 2d 32 3b 32 2d 32 | 2-1-2;2-1-3;..6.....18;1-1-2;2-2 |
90f80 | 2d 32 38 3b 00 02 37 00 24 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | -28;..7.$...28;1-1-2;1-1-3;2-2-3 |
90fa0 | 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 32 38 3b 00 02 38 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | ;2-1-18;2-1-28;..8.#...3;1-2-3;1 |
90fc0 | 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 39 00 16 00 00 | -1-28;2-1-2;2-2-3;2-1-28;..9.... |
90fe0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 0f 00 00 00 33 | .3;1-2-3;2-2-3;2-1-28;..10.....3 |
91000 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;1-2-3;2-2-3;..11.....3;1-2-3;2- |
91020 | 32 2d 33 3b 00 02 31 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 | 2-3;..12.....3;1-2-3;2-2-3;2-1-2 |
91040 | 38 3b 00 02 31 33 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b | 8;..13.#...3;1-2-3;1-1-28;2-1-2; |
91060 | 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 34 00 24 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 | 2-2-3;2-1-28;..14.$...28;1-1-2;1 |
91080 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 32 38 3b 00 02 31 35 00 1d 00 | -1-3;2-2-3;2-1-18;2-1-28;..15... |
910a0 | 00 00 32 3b 31 2d 31 2d 31 38 3b 31 2d 32 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 | ..2;1-1-18;1-2-28;2-1-2;2-1-3;.. |
910c0 | 31 36 00 11 00 00 00 31 38 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 31 37 00 24 00 00 00 | 16.....18;1-1-2;2-2-28;..17.$... |
910e0 | 32 38 3b 31 2d 32 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d | 28;1-2-2;2-1-8;2-1-9;2-1-18;2-1- |
91100 | 32 38 3b 00 02 31 38 00 22 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 | 28;..18."...2;1-1-8;1-1-9;1-1-28 |
91120 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 39 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d | ;2-1-1;2-1-2;..19.....9;1-1-2;2- |
91140 | 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 32 30 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 1-8;2-1-28;..20.....8;1-1-1;1-1- |
91160 | 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 32 31 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b | 2;2-1-9;2-1-28;..21.....1;1-1-8; |
91180 | 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 25 00 00 00 43 4f 43 28 3d 4f 29 4e 43 28 3d | 2-1-2;....smiles.%...COC(=O)NC(= |
911a0 | 53 29 4e 63 31 63 63 63 63 63 31 4e 43 28 3d 53 29 4e 43 28 3d 4f 29 4f 43 00 09 75 70 64 61 74 | S)Nc1ccccc1NC(=S)NC(=O)OC..updat |
911c0 | 65 64 5f 61 74 00 d7 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 db 7b 7d 46 50 01 | ed_at...}FP....created_at..{}FP. |
911e0 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
91200 | 02 69 6e 63 68 69 00 7f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 34 4e 34 4f 34 53 32 | .inchi.....InChI=1S/C12H14N4O4S2 |
91220 | 2f 63 31 2d 31 39 2d 31 31 28 31 37 29 31 35 2d 39 28 32 31 29 31 33 2d 37 2d 35 2d 33 2d 34 2d | /c1-19-11(17)15-9(21)13-7-5-3-4- |
91240 | 36 2d 38 28 37 29 31 34 2d 31 30 28 32 32 29 31 36 2d 31 32 28 31 38 29 32 30 2d 32 2f 68 33 2d | 6-8(7)14-10(22)16-12(18)20-2/h3- |
91260 | 36 48 2c 31 2d 32 48 33 2c 28 48 32 2c 31 33 2c 31 35 2c 31 37 2c 32 31 29 28 48 32 2c 31 34 2c | 6H,1-2H3,(H2,13,15,17,21)(H2,14, |
91280 | 31 36 2c 31 38 2c 32 32 29 00 00 9b 02 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 7a | 16,18,22)......._id.V.$8+r.0...z |
912a0 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 be 01 00 | .warnings.......fingerprints.... |
912c0 | 00 04 4d 50 32 44 00 b3 01 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 | ..MP2D......0.....1;1-1-28;2-1-1 |
912e0 | 3b 32 2d 31 2d 32 3b 00 02 31 00 1e 00 00 00 32 38 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d | ;2-1-2;..1.....28;1-2-1;1-1-2;2- |
91300 | 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 32 00 25 00 00 00 32 3b 31 2d 31 2d 31 30 3b 31 2d 31 | 1-10;2-1-18;..2.%...2;1-1-10;1-1 |
91320 | 2d 31 38 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 33 00 18 00 00 00 | -18;1-1-28;2-2-1;2-1-10;..3..... |
91340 | 31 38 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 32 38 3b 00 02 34 00 25 00 00 00 31 | 18;1-1-2;2-1-10;2-1-28;..4.%...1 |
91360 | 30 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d | 0;1-1-2;1-1-10;2-1-2;2-1-18;2-1- |
91380 | 32 38 3b 00 02 35 00 25 00 00 00 31 30 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 | 28;..5.%...10;1-1-2;1-1-10;2-1-2 |
913a0 | 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 32 38 3b 00 02 36 00 25 00 00 00 32 3b 31 2d 31 2d 31 30 3b | ;2-1-18;2-1-28;..6.%...2;1-1-10; |
913c0 | 31 2d 31 2d 31 38 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 37 00 18 | 1-1-18;1-1-28;2-2-1;2-1-10;..7.. |
913e0 | 00 00 00 31 38 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 32 38 3b 00 02 38 00 1e 00 | ...18;1-1-2;2-1-10;2-1-28;..8... |
91400 | 00 00 32 38 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 | ..28;1-2-1;1-1-2;2-1-10;2-1-18;. |
91420 | 02 39 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 30 | .9.....1;1-1-28;2-1-1;2-1-2;..10 |
91440 | 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 31 00 16 | .....1;1-1-28;2-1-1;2-1-2;..11.. |
91460 | 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c | ...1;1-1-28;2-1-1;2-1-2;....smil |
91480 | 65 73 00 17 00 00 00 43 4e 28 43 28 3d 53 29 53 53 43 28 3d 53 29 4e 28 43 29 43 29 43 00 09 75 | es.....CN(C(=S)SSC(=S)N(C)C)C..u |
914a0 | 70 64 61 74 65 64 5f 61 74 00 3b 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e3 7b | pdated_at.;.}FP....created_at..{ |
914c0 | 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | }FP....default_fingerprint_size. |
914e0 | 00 00 00 00 02 69 6e 63 68 69 00 36 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 32 4e 32 53 | .....inchi.6...InChI=1S/C6H12N2S |
91500 | 34 2f 63 31 2d 37 28 32 29 35 28 39 29 31 31 2d 31 32 2d 36 28 31 30 29 38 28 33 29 34 2f 68 31 | 4/c1-7(2)5(9)11-12-6(10)8(3)4/h1 |
91520 | 2d 34 48 33 00 00 36 05 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 7b 04 77 61 72 6e | -4H3..6...._id.V.$8+r.0...{.warn |
91540 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 e0 03 00 00 04 4d 50 32 | ings.......fingerprints......MP2 |
91560 | 44 00 d5 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 00 0f | D......0.....1;1-1-1;2-2-1;..1.. |
91580 | 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 00 0f 00 00 00 31 3b 31 2d 32 2d 31 | ...1;1-3-1;2-2-1;..2.....1;1-2-1 |
915a0 | 3b 32 2d 33 2d 31 3b 00 02 33 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 34 | ;2-3-1;..3.....1;1-2-1;2-2-1;..4 |
915c0 | 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 1b 00 00 | .....1;1-2-1;2-3-1;2-1-8;..5.... |
915e0 | 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 36 00 15 | .1;1-3-1;1-1-8;2-2-1;2-1-3;..6.. |
91600 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 37 00 1b 00 00 00 31 | ...1;1-1-1;2-2-1;2-1-8;..7.....1 |
91620 | 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 1b 00 00 | ;1-2-1;2-2-1;2-1-3;2-1-8;..8.... |
91640 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 21 | .1;1-1-1;1-1-3;2-1-1;2-2-3;..9.! |
91660 | 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 | ...3;1-1-1;1-2-3;2-2-1;2-2-3;2-1 |
91680 | 2d 38 3b 00 02 31 30 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b | -8;..10.....3;1-2-3;1-1-8;2-3-1; |
916a0 | 32 2d 32 2d 33 3b 00 02 31 31 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 33 | 2-2-3;..11.....8;1-1-1;1-1-3;2-3 |
916c0 | 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 32 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b | -1;2-2-3;..12.!...3;1-1-1;1-2-3; |
916e0 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 33 00 0f 00 00 00 31 3b 31 2d 31 | 2-1-1;2-2-3;2-1-8;..13.....1;1-1 |
91700 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b | -3;2-2-3;..14.!...3;1-1-1;1-2-3; |
91720 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 35 00 21 00 00 00 33 3b 31 2d 32 | 2-1-1;2-2-3;2-1-8;..15.!...3;1-2 |
91740 | 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 36 00 | -3;1-1-8;2-2-1;2-1-2;2-2-3;..16. |
91760 | 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d | !...3;1-1-1;1-2-3;2-1-1;2-2-3;2- |
91780 | 31 2d 38 3b 00 02 31 37 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 38 00 | 1-8;..17.....1;1-1-3;2-2-3;..18. |
917a0 | 21 00 00 00 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d | !...8;1-1-2;1-1-3;2-1-1;2-2-3;2- |
917c0 | 31 2d 39 3b 00 02 31 39 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 | 1-9;..19.....2;1-1-1;1-1-8;1-1-9 |
917e0 | 3b 32 2d 31 2d 33 3b 00 02 32 30 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d | ;2-1-3;..20.....9;1-1-2;2-1-1;2- |
91800 | 31 2d 38 3b 00 02 32 31 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 | 1-8;..21.....1;1-1-2;2-1-8;2-1-9 |
91820 | 3b 00 02 32 32 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 33 00 0f 00 00 | ;..22.....1;1-1-3;2-2-3;..23.... |
91840 | 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 32 34 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b | .1;1-2-1;2-3-1;..24.....1;1-2-1; |
91860 | 32 2d 32 2d 31 3b 00 02 32 35 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 32 | 2-2-1;..25.....1;1-2-1;2-3-1;..2 |
91880 | 36 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 37 00 0f 00 00 00 31 3b 31 | 6.....1;1-3-1;2-2-1;..27.....1;1 |
918a0 | 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 32 38 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d | -2-1;2-3-1;..28.....1;1-2-1;2-2- |
918c0 | 31 3b 00 02 32 39 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 33 30 00 0f 00 | 1;..29.....1;1-2-1;2-3-1;..30... |
918e0 | 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b 00 02 33 31 00 0f 00 00 00 31 3b 31 2d 31 2d 31 | ..1;1-3-1;2-1-1;..31.....1;1-1-1 |
91900 | 3b 32 2d 32 2d 31 3b 00 02 33 32 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 | ;2-2-1;..32.....1;1-1-1;2-2-1;.. |
91920 | 33 33 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 | 33.....1;1-1-1;2-2-1;....smiles. |
91940 | 3a 00 00 00 43 43 28 43 43 43 43 31 28 43 29 43 43 63 32 63 28 4f 31 29 63 28 43 29 63 28 63 28 | :...CC(CCCC1(C)CCc2c(O1)c(C)c(c( |
91960 | 63 32 43 29 4f 43 28 3d 4f 29 43 29 43 29 43 43 43 43 28 43 43 43 43 28 43 29 43 29 43 00 09 75 | c2C)OC(=O)C)C)CCCC(CCCC(C)C)C..u |
91980 | 70 64 61 74 65 64 5f 61 74 00 db 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ed 7b | pdated_at...}FP....created_at..{ |
919a0 | 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | }FP....default_fingerprint_size. |
919c0 | 00 00 00 00 02 69 6e 63 68 69 00 8c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 31 48 35 32 4f 33 | .....inchi.....InChI=1S/C31H52O3 |
919e0 | 2f 63 31 2d 32 31 28 32 29 31 33 2d 31 30 2d 31 34 2d 32 32 28 33 29 31 35 2d 31 31 2d 31 36 2d | /c1-21(2)13-10-14-22(3)15-11-16- |
91a00 | 32 33 28 34 29 31 37 2d 31 32 2d 31 39 2d 33 31 28 39 29 32 30 2d 31 38 2d 32 38 2d 32 36 28 37 | 23(4)17-12-19-31(9)20-18-28-26(7 |
91a20 | 29 32 39 28 33 33 2d 32 37 28 38 29 33 32 29 32 34 28 35 29 32 35 28 36 29 33 30 28 32 38 29 33 | )29(33-27(8)32)24(5)25(6)30(28)3 |
91a40 | 34 2d 33 31 2f 68 32 31 2d 32 33 48 2c 31 30 2d 32 30 48 32 2c 31 2d 39 48 33 00 00 ca 02 00 00 | 4-31/h21-23H,10-20H2,1-9H3...... |
91a60 | 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 7c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V.$8+r.0...|.warnings...... |
91a80 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ca 01 00 00 04 4d 50 32 44 00 bf 01 00 00 02 30 00 10 | .fingerprints......MP2D......0.. |
91aa0 | 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d | ...19;1-1-3;2-2-3;..1.....3;1-2- |
91ac0 | 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-1-19;2-2-3;..2.....3;1-2-3;2 |
91ae0 | 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -2-3;2-1-19;..3.....3;1-2-3;2-2- |
91b00 | 33 3b 32 2d 31 2d 33 31 3b 00 02 34 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 33 31 3b | 3;2-1-31;..4."...3;1-2-3;1-1-31; |
91b20 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 31 2d | 2-1-1;2-2-3;2-1-8;..5.....3;1-1- |
91b40 | 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 31 3b 00 02 36 00 1c 00 00 00 33 3b 31 | 1;1-2-3;2-2-3;2-1-31;..6.....3;1 |
91b60 | 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 0f 00 00 00 | -2-3;2-1-1;2-2-3;2-1-19;..7..... |
91b80 | 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 1d 00 00 00 33 31 3b 31 2d 31 2d 33 3b 31 | 1;1-1-3;2-2-3;..8.....31;1-1-3;1 |
91ba0 | 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 39 00 23 00 00 00 38 3b 31 2d 31 2d | -1-8;2-2-3;2-1-10;..9.#...8;1-1- |
91bc0 | 31 30 3b 31 2d 31 2d 33 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 31 30 | 10;1-1-31;2-1-3;2-1-8;2-2-9;..10 |
91be0 | 00 17 00 00 00 31 30 3b 31 2d 32 2d 38 3b 31 2d 32 2d 39 3b 32 2d 31 2d 33 31 3b 00 02 31 31 00 | .....10;1-2-8;1-2-9;2-1-31;..11. |
91c00 | 16 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 32 00 16 00 | ....9;1-1-10;2-2-8;2-1-9;..12... |
91c20 | 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 33 00 16 00 00 00 | ..9;1-1-10;2-2-8;2-1-9;..13..... |
91c40 | 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 | 8;1-1-10;2-1-8;2-2-9;....smiles. |
91c60 | 1b 00 00 00 4e 63 31 63 63 63 28 63 28 63 31 29 43 29 4e 4f 53 28 3d 4f 29 28 3d 4f 29 4f 00 09 | ....Nc1ccc(c(c1)C)NOS(=O)(=O)O.. |
91c80 | 75 70 64 61 74 65 64 5f 61 74 00 dd 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f5 | updated_at...}FP....created_at.. |
91ca0 | 7b 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | {}FP....default_fingerprint_size |
91cc0 | 00 00 00 00 00 02 69 6e 63 68 69 00 55 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 31 30 4e 32 | ......inchi.U...InChI=1S/C7H10N2 |
91ce0 | 4f 34 53 2f 63 31 2d 35 2d 34 2d 36 28 38 29 32 2d 33 2d 37 28 35 29 39 2d 31 33 2d 31 34 28 31 | O4S/c1-5-4-6(8)2-3-7(5)9-13-14(1 |
91d00 | 30 2c 31 31 29 31 32 2f 68 32 2d 34 2c 39 48 2c 38 48 32 2c 31 48 33 2c 28 48 2c 31 30 2c 31 31 | 0,11)12/h2-4,9H,8H2,1H3,(H,10,11 |
91d20 | 2c 31 32 29 00 00 f1 04 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 7d 04 77 61 72 6e | ,12)......._id.V.$8+r.0...}.warn |
91d40 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a2 03 00 00 04 4d 50 32 | ings.......fingerprints......MP2 |
91d60 | 44 00 97 03 00 00 02 30 00 0f 00 00 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 2d 31 3b 00 02 31 00 1b | D......0.....7;1-1-4;2-1-1;..1.. |
91d80 | 00 00 00 34 3b 31 2d 31 2d 31 3b 31 2d 31 2d 37 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 | ...4;1-1-1;1-1-7;2-1-3;2-1-8;..2 |
91da0 | 00 27 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 34 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 | .'...1;1-1-3;1-1-4;1-1-8;2-1-2;2 |
91dc0 | 2d 32 2d 33 3b 32 2d 31 2d 37 3b 00 02 33 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 | -2-3;2-1-7;..3.!...3;1-1-1;1-2-3 |
91de0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 34 3b 32 2d 31 2d 38 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 | ;2-2-3;2-1-4;2-1-8;..4.....3;1-2 |
91e00 | 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | -3;2-1-1;2-2-3;..5.....3;1-2-3;2 |
91e20 | 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 | -2-3;..6.....3;1-2-3;2-2-3;2-1-8 |
91e40 | 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 38 | ;..7.....3;1-2-3;1-1-8;2-3-3;..8 |
91e60 | 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 | .....3;1-2-3;2-1-1;2-2-3;2-1-8;. |
91e80 | 02 39 00 0f 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 30 00 15 00 00 00 33 3b | .9.....8;1-2-3;2-4-3;..10.....3; |
91ea0 | 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 | 1-2-3;1-1-8;2-3-3;..11.....3;1-2 |
91ec0 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-2-3;2-1-8;..12.....3;1-2-3; |
91ee0 | 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | 2-2-3;..13.....3;1-2-3;2-2-3;..1 |
91f00 | 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 15 00 00 00 33 3b 31 | 4.....3;1-2-3;2-2-3;..15.....3;1 |
91f20 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 36 00 27 00 00 00 38 3b 31 2d 31 2d | -2-3;2-2-3;2-1-8;..16.'...8;1-1- |
91f40 | 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 34 3b 32 2d 31 2d 39 3b | 1;1-1-2;2-1-1;2-1-3;2-1-4;2-1-9; |
91f60 | 00 02 31 37 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 33 | ..17.....2;1-1-1;1-1-8;1-1-9;2-3 |
91f80 | 2d 31 3b 00 02 31 38 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b | -1;..18.....9;1-1-2;2-1-1;2-1-8; |
91fa0 | 00 02 31 39 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 35 2d 31 3b 32 2d 31 | ..19.!...1;1-2-1;1-1-2;2-5-1;2-1 |
91fc0 | 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 30 00 1c 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 35 2d 31 3b | -8;2-1-9;..20.....1;1-3-1;2-5-1; |
91fe0 | 32 2d 31 2d 32 3b 32 2d 31 2d 31 34 3b 00 02 32 31 00 15 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d | 2-1-2;2-1-14;..21.....1;1-4-1;2- |
92000 | 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 32 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 | 3-1;2-1-2;..22.....1;1-1-1;2-3-1 |
92020 | 3b 00 02 32 33 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 32 34 00 1d 00 00 | ;..23.....1;1-1-1;2-3-1;..24.... |
92040 | 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 34 3b 32 2d 32 2d 31 3b 32 2d 33 2d 31 34 3b 00 02 32 | .1;1-2-1;1-1-14;2-2-1;2-3-14;..2 |
92060 | 35 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 33 2d 31 34 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 | 5.....1;1-1-1;1-3-14;2-1-1;2-1-1 |
92080 | 34 3b 00 02 32 36 00 17 00 00 00 31 34 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 34 | 4;..26.....14;1-1-1;2-1-1;2-2-14 |
920a0 | 3b 00 02 32 37 00 17 00 00 00 31 34 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 34 3b | ;..27.....14;1-1-1;2-1-1;2-2-14; |
920c0 | 00 02 32 38 00 17 00 00 00 31 34 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 34 3b 00 | ..28.....14;1-1-1;2-1-1;2-2-14;. |
920e0 | 02 32 39 00 10 00 00 00 31 34 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 | .29.....14;1-1-1;2-2-1;....smile |
92100 | 73 00 3b 00 00 00 4e 23 43 43 28 63 31 63 63 63 63 28 63 31 29 4f 63 31 63 63 63 63 63 31 29 4f | s.;...N#CC(c1cccc(c1)Oc1ccccc1)O |
92120 | 43 28 3d 4f 29 43 31 43 28 43 31 28 43 29 43 29 43 28 43 28 42 72 29 28 42 72 29 42 72 29 42 72 | C(=O)C1C(C1(C)C)C(C(Br)(Br)Br)Br |
92140 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 e0 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at...}FP....created_at |
92160 | 00 ff 7b 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | ..{}FP....default_fingerprint_si |
92180 | 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 84 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 32 48 31 | ze......inchi.....InChI=1S/C22H1 |
921a0 | 39 42 72 34 4e 4f 33 2f 63 31 2d 32 31 28 32 29 31 37 28 31 39 28 32 33 29 32 32 28 32 34 2c 32 | 9Br4NO3/c1-21(2)17(19(23)22(24,2 |
921c0 | 35 29 32 36 29 31 38 28 32 31 29 32 30 28 32 38 29 33 30 2d 31 36 28 31 32 2d 32 37 29 31 33 2d | 5)26)18(21)20(28)30-16(12-27)13- |
921e0 | 37 2d 36 2d 31 30 2d 31 35 28 31 31 2d 31 33 29 32 39 2d 31 34 2d 38 2d 34 2d 33 2d 35 2d 39 2d | 7-6-10-15(11-13)29-14-8-4-3-5-9- |
92200 | 31 34 2f 68 33 2d 31 31 2c 31 36 2d 31 39 48 2c 31 2d 32 48 33 00 00 c1 02 00 00 07 5f 69 64 00 | 14/h3-11,16-19H,1-2H3......._id. |
92220 | 56 16 24 38 2b 72 ed 30 fb 00 00 7e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V.$8+r.0...~.warnings.......fing |
92240 | 65 72 70 72 69 6e 74 73 00 cb 01 00 00 04 4d 50 32 44 00 c0 01 00 00 02 30 00 17 00 00 00 33 32 | erprints......MP2D......0.....32 |
92260 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 31 00 16 00 00 00 32 3b 31 2d | ;1-1-2;2-1-1;2-1-32;..1.....2;1- |
92280 | 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d 38 3b 00 02 32 00 17 00 00 00 33 32 3b 31 2d 31 2d | 1-1;1-2-32;2-1-8;..2.....32;1-1- |
922a0 | 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 33 00 1c 00 00 00 31 3b 31 2d 31 2d 32 3b 31 | 2;2-1-1;2-1-32;..3.....1;1-1-2;1 |
922c0 | 2d 31 2d 38 3b 32 2d 31 2d 33 3b 32 2d 32 2d 33 32 3b 00 02 34 00 1b 00 00 00 38 3b 31 2d 31 2d | -1-8;2-1-3;2-2-32;..4.....8;1-1- |
922e0 | 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 35 00 22 00 00 00 33 3b 31 2d | 1;1-1-3;2-1-2;2-2-3;..5."...3;1- |
92300 | 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 36 | 2-3;1-1-8;2-1-1;2-2-3;2-1-15;..6 |
92320 | 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 35 3b | .....3;1-2-3;2-2-3;2-1-8;2-1-15; |
92340 | 00 02 37 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 | ..7.....3;1-2-3;1-1-15;2-2-3;2-1 |
92360 | 2d 31 35 3b 00 02 38 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 1d | -15;..8.....15;1-1-3;2-2-3;..9.. |
92380 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 | ...3;1-2-3;1-1-15;2-2-3;2-1-15;. |
923a0 | 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 31 | .10.....3;1-2-3;2-2-3;2-2-15;..1 |
923c0 | 31 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 | 1.....3;1-2-3;1-1-15;2-2-3;2-1-8 |
923e0 | 3b 00 02 31 32 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 10 00 | ;..12.....15;1-1-3;2-2-3;..13... |
92400 | 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1b 00 00 00 | ..15;1-1-3;2-2-3;....smiles..... |
92420 | 4f 43 28 3d 4f 29 43 4f 63 31 63 63 28 43 6c 29 63 28 63 63 31 43 6c 29 43 6c 00 09 75 70 64 61 | OC(=O)COc1cc(Cl)c(cc1Cl)Cl..upda |
92440 | 74 65 64 5f 61 74 00 e2 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 08 7c 7d 46 50 | ted_at...}FP....created_at..|}FP |
92460 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
92480 | 00 02 69 6e 63 68 69 00 4b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 35 43 6c 33 4f 33 2f 63 | ..inchi.K...InChI=1S/C8H5Cl3O3/c |
924a0 | 39 2d 34 2d 31 2d 36 28 31 31 29 37 28 32 2d 35 28 34 29 31 30 29 31 34 2d 33 2d 38 28 31 32 29 | 9-4-1-6(11)7(2-5(4)10)14-3-8(12) |
924c0 | 31 33 2f 68 31 2d 32 48 2c 33 48 32 2c 28 48 2c 31 32 2c 31 33 29 00 00 28 04 00 00 07 5f 69 64 | 13/h1-2H,3H2,(H,12,13)..(...._id |
924e0 | 00 56 16 24 38 2b 72 ed 30 fb 00 00 7f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V.$8+r.0.....warnings.......fin |
92500 | 67 65 72 70 72 69 6e 74 73 00 06 03 00 00 04 4d 50 32 44 00 fb 02 00 00 02 30 00 16 00 00 00 31 | gerprints......MP2D......0.....1 |
92520 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 00 1c 00 00 00 31 3b 31 2d | ;1-1-1;2-1-1;2-1-19;..1.....1;1- |
92540 | 32 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 00 1c 00 00 00 31 | 2-1;1-1-19;2-1-1;2-1-3;..2.....1 |
92560 | 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 34 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 23 00 | 9;1-2-1;1-1-3;2-4-1;2-2-3;..3.#. |
92580 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 | ..3;1-2-3;1-1-19;2-2-1;2-2-3;2-2 |
925a0 | 2d 31 39 3b 00 02 34 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 | -19;..4.#...3;1-2-3;1-1-19;2-2-3 |
925c0 | 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-9;2-1-19;..5.....3;1-2-3;2- |
925e0 | 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 31 2d 31 | 1-1;2-2-3;2-1-19;..6.....3;1-1-1 |
92600 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d | ;1-2-3;2-2-3;2-3-16;..7.....3;1- |
92620 | 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 38 00 23 00 00 00 33 | 2-3;2-1-1;2-2-3;2-1-19;..8.#...3 |
92640 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 39 | ;1-2-3;1-1-19;2-2-3;2-2-9;2-1-19 |
92660 | 3b 00 02 39 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 | ;..9.....19;1-1-3;1-2-9;2-2-3;.. |
92680 | 31 30 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 31 | 10.....9;1-1-19;2-1-3;2-1-9;..11 |
926a0 | 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 32 00 16 | .....9;1-1-19;2-1-3;2-1-9;..12.. |
926c0 | 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 31 33 00 17 00 00 | ...1;1-1-3;1-3-16;2-2-3;..13.... |
926e0 | 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 31 34 00 17 00 00 00 | .16;1-1-1;2-1-3;2-2-16;..14..... |
92700 | 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 31 35 00 17 00 00 00 31 | 16;1-1-1;2-1-3;2-2-16;..15.....1 |
92720 | 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 31 36 00 16 00 00 00 31 39 | 6;1-1-1;2-1-3;2-2-16;..16.....19 |
92740 | 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 31 37 00 16 00 00 00 39 3b 31 2d | ;1-1-3;1-2-9;2-2-3;..17.....9;1- |
92760 | 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 38 00 16 00 00 00 39 3b 31 2d 31 2d | 1-19;2-1-3;2-1-9;..18.....9;1-1- |
92780 | 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 39 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b | 19;2-1-3;2-1-9;..19.....1;1-2-1; |
927a0 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 30 00 16 00 00 00 31 3b 31 2d | 1-1-19;2-1-1;2-1-3;..20.....1;1- |
927c0 | 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 32 31 00 16 00 00 00 31 3b 31 2d 31 2d | 1-1;2-1-1;2-1-19;..21.....1;1-1- |
927e0 | 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 32 32 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b | 1;2-1-1;2-1-19;..22.....1;1-1-1; |
92800 | 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 30 00 00 00 43 43 28 4e | 2-1-1;2-1-19;....smiles.0...CC(N |
92820 | 28 63 31 63 28 63 63 28 63 63 31 4e 28 3d 4f 29 3d 4f 29 43 28 46 29 28 46 29 46 29 4e 28 3d 4f | (c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O |
92840 | 29 3d 4f 29 43 28 43 29 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 0a 8a 7d 46 50 01 00 00 | )=O)C(C)C)C..updated_at...}FP... |
92860 | 09 63 72 65 61 74 65 64 5f 61 74 00 11 7c 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at..|}FP....default_fin |
92880 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 62 00 00 00 49 6e 43 | gerprint_size......inchi.b...InC |
928a0 | 68 49 3d 31 53 2f 43 31 33 48 31 36 46 33 4e 33 4f 34 2f 63 31 2d 37 28 32 29 31 37 28 38 28 33 | hI=1S/C13H16F3N3O4/c1-7(2)17(8(3 |
928c0 | 29 34 29 31 32 2d 31 30 28 31 38 28 32 30 29 32 31 29 35 2d 39 28 31 33 28 31 34 2c 31 35 29 31 | )4)12-10(18(20)21)5-9(13(14,15)1 |
928e0 | 36 29 36 2d 31 31 28 31 32 29 31 39 28 32 32 29 32 33 2f 68 35 2d 38 48 2c 31 2d 34 48 33 00 00 | 6)6-11(12)19(22)23/h5-8H,1-4H3.. |
92900 | 0c 0a 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 80 04 77 61 72 6e 69 6e 67 73 00 05 | ....._id.V.$8+r.0.....warnings.. |
92920 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 e6 07 00 00 04 4d 50 32 44 00 db 07 00 00 | .....fingerprints......MP2D..... |
92940 | 02 30 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 00 02 31 00 15 00 00 00 32 3b 31 | .0.....9;1-1-2;2-1-1;..1.....2;1 |
92960 | 2d 31 2d 31 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 31 2d 31 | -1-1;1-1-9;2-1-1;..2.....1;1-1-1 |
92980 | 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d 33 | ;1-1-2;2-2-1;2-1-9;..3.....1;1-3 |
929a0 | 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 34 00 15 00 00 00 31 3b 31 | -1;2-2-1;2-1-2;2-1-8;..4.....1;1 |
929c0 | 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 35 00 21 00 00 00 31 3b 31 2d 32 2d 31 | -2-1;2-3-1;2-1-2;..5.!...1;1-2-1 |
929e0 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 36 00 15 00 00 | ;1-1-2;2-1-1;2-1-2;2-1-9;..6.... |
92a00 | 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 37 00 21 00 00 00 32 3b 31 | .1;1-1-1;2-1-1;2-1-2;..7.!...2;1 |
92a20 | 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 38 | -1-1;1-1-2;1-1-9;2-2-1;2-1-2;..8 |
92a40 | 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 39 00 1b 00 00 | .....9;1-1-2;2-1-1;2-1-2;..9.... |
92a60 | 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 30 00 | .2;1-2-2;2-1-1;2-1-2;2-1-9;..10. |
92a80 | 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 31 00 1b 00 00 | ....2;1-2-2;2-1-1;2-2-2;..11.... |
92aa0 | 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 32 00 | .2;1-1-1;1-2-2;2-1-1;2-1-2;..12. |
92ac0 | 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 | ....2;1-1-1;1-1-2;2-3-1;2-1-2;.. |
92ae0 | 31 33 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 | 13.!...1;1-2-1;1-1-2;2-1-1;2-1-2 |
92b00 | 3b 32 2d 32 2d 38 3b 00 02 31 34 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d | ;2-2-8;..14.....1;1-2-1;1-1-8;2- |
92b20 | 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 35 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | 2-1;2-2-2;..15.....8;1-1-1;1-1-2 |
92b40 | 3b 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b 00 02 31 36 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d | ;2-3-1;2-1-9;..16.....2;1-1-1;1- |
92b60 | 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 00 02 31 37 00 15 00 00 00 39 3b 31 2d 31 2d 32 | 1-8;1-1-9;2-2-1;..17.....9;1-1-2 |
92b80 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 38 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | ;2-1-1;2-1-8;..18.!...1;1-1-1;1- |
92ba0 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 39 00 1b 00 00 00 31 | 1-2;2-1-1;2-2-8;2-1-9;..19.....1 |
92bc0 | 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 30 00 15 00 | ;1-2-1;1-1-8;2-2-1;2-1-2;..20... |
92be0 | 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 32 31 00 15 00 00 00 31 | ..1;1-3-1;2-2-1;2-2-8;..21.....1 |
92c00 | 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 35 2d 31 3b 00 02 32 32 00 15 00 00 00 38 3b 31 2d | ;1-2-1;1-1-8;2-5-1;..22.....8;1- |
92c20 | 32 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 33 00 1b 00 00 00 31 3b 31 2d 32 2d 31 | 2-1;2-4-1;2-1-8;..23.....1;1-2-1 |
92c40 | 3b 31 2d 32 2d 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 34 00 15 00 00 00 31 3b 31 2d | ;1-2-8;2-3-1;2-1-8;..24.....1;1- |
92c60 | 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 00 02 32 35 00 15 00 00 00 38 3b 31 2d 32 2d 31 | 1-1;2-1-1;2-2-8;..25.....8;1-2-1 |
92c80 | 3b 32 2d 34 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 36 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d | ;2-4-1;2-1-8;..26.....1;1-2-1;1- |
92ca0 | 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 37 00 15 00 00 00 31 3b 31 2d 31 2d 31 | 1-8;2-2-1;2-1-8;..27.....1;1-1-1 |
92cc0 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 38 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d | ;2-1-1;2-1-8;..28.!...1;1-2-1;1- |
92ce0 | 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b 00 02 32 39 00 1b 00 00 00 31 | 1-8;2-3-1;2-1-5;2-1-8;..29.....1 |
92d00 | 3b 31 2d 32 2d 31 3b 31 2d 31 2d 35 3b 32 2d 34 2d 31 3b 32 2d 32 2d 38 3b 00 02 33 30 00 21 00 | ;1-2-1;1-1-5;2-4-1;2-2-8;..30.!. |
92d20 | 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 32 2d 32 2d | ..1;1-2-1;1-1-8;2-2-1;2-1-5;2-2- |
92d40 | 38 3b 00 02 33 31 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 32 00 0f 00 | 8;..31.....8;1-1-1;2-2-1;..32... |
92d60 | 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 33 00 0f 00 00 00 31 3b 31 2d 31 2d 35 | ..5;1-3-1;2-2-1;..33.....1;1-1-5 |
92d80 | 3b 32 2d 32 2d 31 3b 00 02 33 34 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 | ;2-2-1;..34.....1;1-1-5;2-2-1;.. |
92da0 | 33 35 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 36 00 | 35.....8;1-2-1;2-4-1;2-1-8;..36. |
92dc0 | 15 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 32 2d 38 3b 32 2d 33 2d 31 3b 00 02 33 37 00 15 00 00 | ....1;1-2-1;1-2-8;2-3-1;..37.... |
92de0 | 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 00 02 33 38 00 15 00 00 00 38 3b | .1;1-1-1;2-1-1;2-2-8;..38.....8; |
92e00 | 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 39 00 1b 00 00 00 31 3b 31 2d 32 | 1-2-1;2-4-1;2-1-8;..39.....1;1-2 |
92e20 | 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 30 00 15 00 00 00 31 3b | -1;1-1-8;2-2-1;2-1-8;..40.....1; |
92e40 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 31 00 1b 00 00 00 31 3b 31 2d 32 | 1-1-1;2-1-1;2-1-8;..41.....1;1-2 |
92e60 | 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 32 2d 38 3b 00 02 34 32 00 1b 00 00 00 31 3b | -1;1-1-8;2-3-1;2-2-8;..42.....1; |
92e80 | 31 2d 33 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 33 00 15 00 00 | 1-3-1;1-1-8;2-2-1;2-1-8;..43.... |
92ea0 | 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 33 2d 38 3b 00 02 34 34 00 15 00 00 00 31 3b | .1;1-2-1;2-3-1;2-3-8;..44.....1; |
92ec0 | 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 35 00 0f 00 00 00 38 3b 31 2d 31 | 1-1-1;2-2-1;2-1-8;..45.....8;1-1 |
92ee0 | 2d 31 3b 32 2d 33 2d 31 3b 00 02 34 36 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b | -1;2-3-1;..46.....8;1-1-1;2-2-1; |
92f00 | 00 02 34 37 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 34 38 00 0f 00 00 00 | ..47.....1;1-1-1;2-2-1;..48..... |
92f20 | 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 34 39 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 | 8;1-1-1;2-2-1;..49.....1;1-2-1;2 |
92f40 | 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d | -1-1;2-1-8;..50.....1;1-1-1;2-1- |
92f60 | 31 3b 00 02 35 31 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 | 1;..51.....1;1-1-1;1-1-8;2-2-1;2 |
92f80 | 2d 31 2d 32 3b 00 02 35 32 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d | -1-2;..52.....8;1-2-1;2-2-1;2-1- |
92fa0 | 38 3b 00 02 35 33 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 38 3b 32 2d 33 2d 31 3b 32 | 8;..53.....1;1-1-1;1-2-8;2-3-1;2 |
92fc0 | 2d 31 2d 38 3b 00 02 35 34 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d | -1-8;..54.....8;1-2-1;2-3-1;2-1- |
92fe0 | 38 3b 00 02 35 35 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 | 8;..55.....1;1-2-1;1-1-8;2-2-1;2 |
93000 | 2d 31 2d 38 3b 00 02 35 36 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d | -1-8;..56.....1;1-1-1;2-1-1;2-1- |
93020 | 38 3b 00 02 35 37 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 | 8;..57.....1;1-2-1;1-1-8;2-2-1;2 |
93040 | 2d 32 2d 38 3b 00 02 35 38 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 2d | -2-8;..58.....1;1-2-1;1-1-8;2-3- |
93060 | 31 3b 32 2d 32 2d 38 3b 00 02 35 39 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 | 1;2-2-8;..59.....1;1-2-1;1-1-8;2 |
93080 | 2d 32 2d 31 3b 32 2d 33 2d 38 3b 00 02 36 30 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d | -2-1;2-3-8;..60.....8;1-2-1;2-2- |
930a0 | 31 3b 00 02 36 31 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 00 02 36 32 00 0f 00 | 1;..61.....1;1-1-8;2-1-1;..62... |
930c0 | 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 36 33 00 0f 00 00 00 31 3b 31 2d 31 2d 38 | ..8;1-2-1;2-2-1;..63.....1;1-1-8 |
930e0 | 3b 32 2d 31 2d 31 3b 00 02 36 34 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 | ;2-1-1;..64.....8;1-1-1;2-2-1;.. |
93100 | 36 35 00 0f 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 | 65.....1;1-1-2;2-2-2;....smiles. |
93120 | 7a 00 00 00 4f 3d 43 43 43 31 43 43 28 43 29 43 28 3d 4f 29 43 3d 43 43 28 3d 43 43 28 43 28 4f | z...O=CCC1CC(C)C(=O)C=CC(=CC(C(O |
93140 | 43 28 3d 4f 29 43 43 28 43 28 43 31 4f 43 31 28 43 29 4f 43 28 43 29 43 28 43 28 43 31 4f 29 4e | C(=O)CC(C(C1OC1(C)OC(C)C(C(C1O)N |
93160 | 28 43 29 43 29 4f 43 31 28 43 29 4f 43 28 43 29 43 28 43 28 43 31 29 28 43 29 4f 29 4f 29 43 29 | (C)C)OC1(C)OC(C)C(C(C1)(C)O)O)C) |
93180 | 4f 29 43 43 29 43 4f 43 31 4f 43 28 43 29 43 28 43 28 43 31 4f 43 29 4f 43 29 4f 29 43 00 09 75 | O)CC)COC1OC(C)C(C(C1OC)OC)O)C..u |
931a0 | 70 64 61 74 65 64 5f 61 74 00 e8 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 25 7c | pdated_at...}FP....created_at.%| |
931c0 | 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | }FP....default_fingerprint_size. |
931e0 | 00 00 00 00 02 69 6e 63 68 69 00 1c 01 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 38 48 38 31 4e 4f | .....inchi.....InChI=1S/C48H81NO |
93200 | 31 37 2f 63 31 2d 31 35 2d 33 35 2d 33 32 28 32 33 2d 36 30 2d 34 35 2d 34 32 28 35 39 2d 31 34 | 17/c1-15-35-32(23-60-45-42(59-14 |
93220 | 29 34 31 28 35 38 2d 31 33 29 33 38 28 35 34 29 32 38 28 35 29 36 31 2d 34 35 29 32 30 2d 32 35 | )41(58-13)38(54)28(5)61-45)20-25 |
93240 | 28 32 29 31 36 2d 31 37 2d 33 33 28 35 31 29 32 36 28 33 29 32 31 2d 33 31 28 31 38 2d 31 39 2d | (2)16-17-33(51)26(3)21-31(18-19- |
93260 | 35 30 29 33 39 28 32 37 28 34 29 33 34 28 35 32 29 32 32 2d 33 36 28 35 33 29 36 32 2d 33 35 29 | 50)39(27(4)34(52)22-36(53)62-35) |
93280 | 36 36 2d 34 38 28 31 30 29 34 34 28 35 36 29 33 37 28 34 39 28 31 31 29 31 32 29 34 30 28 32 39 | 66-48(10)44(56)37(49(11)12)40(29 |
932a0 | 28 36 29 36 34 2d 34 38 29 36 35 2d 34 37 28 39 29 32 34 2d 34 36 28 38 2c 35 37 29 34 33 28 35 | (6)64-48)65-47(9)24-46(8,57)43(5 |
932c0 | 35 29 33 30 28 37 29 36 33 2d 34 37 2f 68 31 36 2d 31 37 2c 31 39 2d 32 30 2c 32 36 2d 33 32 2c | 5)30(7)63-47/h16-17,19-20,26-32, |
932e0 | 33 34 2d 33 35 2c 33 37 2d 34 35 2c 35 32 2c 35 34 2d 35 37 48 2c 31 35 2c 31 38 2c 32 31 2d 32 | 34-35,37-45,52,54-57H,15,18,21-2 |
93300 | 34 48 32 2c 31 2d 31 34 48 33 00 00 99 03 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 | 4H2,1-14H3......._id.V.$8+r.0... |
93320 | 81 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 8d 02 | ..warnings.......fingerprints... |
93340 | 00 00 04 4d 50 32 44 00 82 02 00 00 02 30 00 0f 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 | ...MP2D......0.....2;1-1-2;2-1-1 |
93360 | 3b 00 02 31 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 | ;..1.!...2;1-1-1;1-1-2;2-1-1;2-1 |
93380 | 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 00 28 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 31 | -2;2-1-8;..2.(...1;1-1-1;1-2-2;1 |
933a0 | 2d 31 2d 38 3b 32 2d 32 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 33 00 15 00 00 00 | -1-8;2-2-2;2-1-9;2-1-28;..3..... |
933c0 | 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 38 3b 00 02 34 00 28 00 00 00 38 3b 31 2d | 1;1-1-1;2-2-2;2-1-8;..4.(...8;1- |
933e0 | 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d | 1-1;1-1-2;2-1-1;2-2-2;2-1-9;2-1- |
93400 | 32 38 3b 00 02 35 00 28 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b | 28;..5.(...2;1-1-8;1-1-9;1-1-28; |
93420 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 36 00 16 00 00 00 39 3b 31 2d 31 2d | 2-1-1;2-1-2;2-1-3;..6.....9;1-1- |
93440 | 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 37 00 28 00 00 00 32 38 3b 31 2d 32 2d 32 3b | 2;2-1-8;2-1-28;..7.(...28;1-2-2; |
93460 | 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 | 1-1-3;2-1-1;2-2-3;2-1-8;2-2-9;.. |
93480 | 38 00 2e 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 | 8.....2;1-1-1;1-1-9;1-1-28;2-1-1 |
934a0 | 3b 32 2d 32 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 16 00 00 00 39 3b 31 2d 31 | ;2-2-2;2-1-3;2-1-8;..9.....9;1-1 |
934c0 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 2d 32 2d 33 | -2;2-1-1;2-1-28;..10.....3;1-2-3 |
934e0 | 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 31 00 1d 00 00 00 33 3b 31 | ;1-1-28;2-2-2;2-2-3;..11.....3;1 |
93500 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 16 00 | -2-3;2-2-3;2-1-15;2-1-28;..12... |
93520 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 31 33 00 10 00 00 00 | ..3;1-2-3;1-1-15;2-2-3;..13..... |
93540 | 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | 15;1-1-3;2-2-3;..14.....3;1-2-3; |
93560 | 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 31 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 2-2-3;2-2-15;..15.....3;1-2-3;1- |
93580 | 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 31 36 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 1-15;2-2-3;..16.....3;1-2-3;2-2- |
935a0 | 33 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 02 31 37 00 10 00 00 00 31 35 3b 31 2d 31 2d | 3;2-1-15;2-1-28;..17.....15;1-1- |
935c0 | 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 26 00 00 00 43 3d 43 43 31 28 43 29 4f | 3;2-2-3;....smiles.&...C=CC1(C)O |
935e0 | 43 28 3d 4f 29 4e 28 43 31 3d 4f 29 63 31 63 63 28 43 6c 29 63 63 28 63 31 29 43 6c 00 09 75 70 | C(=O)N(C1=O)c1cc(Cl)cc(c1)Cl..up |
93600 | 64 61 74 65 64 5f 61 74 00 eb 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 2e 7c 7d | dated_at...}FP....created_at..|} |
93620 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
93640 | 00 00 00 02 69 6e 63 68 69 00 56 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 39 43 6c 32 4e | ....inchi.V...InChI=1S/C12H9Cl2N |
93660 | 4f 33 2f 63 31 2d 33 2d 31 32 28 32 29 31 30 28 31 36 29 31 35 28 31 31 28 31 37 29 31 38 2d 31 | O3/c1-3-12(2)10(16)15(11(17)18-1 |
93680 | 32 29 39 2d 35 2d 37 28 31 33 29 34 2d 38 28 31 34 29 36 2d 39 2f 68 33 2d 36 48 2c 31 48 32 2c | 2)9-5-7(13)4-8(14)6-9/h3-6H,1H2, |
936a0 | 32 48 33 00 00 f0 03 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 82 04 77 61 72 6e 69 | 2H3......._id.V.$8+r.0.....warni |
936c0 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 cb 02 00 00 04 4d 50 32 44 | ngs.......fingerprints......MP2D |
936e0 | 00 c0 02 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 00 15 00 | ......0.....8;1-1-1;2-2-1;..1... |
93700 | 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 00 02 32 00 15 00 00 00 31 3b | ..1;1-2-1;1-1-8;2-2-1;..2.....1; |
93720 | 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 00 0f 00 00 00 31 3b 31 2d 32 2d | 1-2-1;2-2-1;2-1-8;..3.....1;1-2- |
93740 | 31 3b 32 2d 32 2d 31 3b 00 02 34 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 | 1;2-2-1;..4.....1;1-2-1;2-2-1;.. |
93760 | 35 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 36 00 1b 00 | 5.....1;1-2-1;2-1-1;2-1-3;..6... |
93780 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 | ..1;1-1-1;1-1-3;2-1-1;2-2-3;..7. |
937a0 | 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d | !...3;1-1-1;1-2-3;2-1-1;2-1-2;2- |
937c0 | 32 2d 33 3b 00 02 38 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | 2-3;..8.....3;1-2-3;2-1-1;2-2-3; |
937e0 | 32 2d 31 2d 38 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d | 2-1-8;..9.....3;1-2-3;1-1-8;2-2- |
93800 | 33 3b 00 02 31 30 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 15 00 | 3;..10.....8;1-1-3;2-2-3;..11... |
93820 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b 00 02 31 32 00 1b 00 00 00 33 | ..3;1-2-3;2-2-3;2-2-8;..12.....3 |
93840 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 33 00 27 00 | ;1-2-3;1-1-8;2-1-2;2-2-3;..13.'. |
93860 | 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d | ..3;1-1-2;1-2-3;2-1-1;2-2-3;2-2- |
93880 | 38 3b 32 2d 31 2d 39 3b 00 02 31 34 00 21 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 | 8;2-1-9;..14.!...2;1-1-3;1-1-8;1 |
938a0 | 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 35 00 15 00 00 00 39 3b 31 2d 31 2d | -1-9;2-1-1;2-2-3;..15.....9;1-1- |
938c0 | 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 36 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 | 2;2-1-3;2-1-8;..16.!...8;1-1-1;1 |
938e0 | 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 37 00 1b 00 00 00 | -1-2;2-2-1;2-1-3;2-1-9;..17..... |
93900 | 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 38 00 15 | 1;1-2-1;1-1-8;2-1-1;2-1-2;..18.. |
93920 | 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 39 00 0f 00 00 00 | ...1;1-2-1;2-2-1;2-1-8;..19..... |
93940 | 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 30 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 | 1;1-2-1;2-2-1;..20.....1;1-2-1;2 |
93960 | 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d | -2-1;2-1-8;..21.....1;1-1-1;2-1- |
93980 | 31 3b 32 2d 31 2d 38 3b 00 02 32 32 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | 1;2-1-8;..22.....8;1-1-3;2-2-3;. |
939a0 | 00 00 02 73 6d 69 6c 65 73 00 25 00 00 00 4f 43 31 43 43 43 43 43 63 32 63 63 28 4f 29 63 63 28 | ...smiles.%...OC1CCCCCc2cc(O)cc( |
939c0 | 63 32 43 28 3d 4f 29 4f 43 28 43 43 43 31 29 43 29 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 ed | c2C(=O)OC(CCC1)C)O..updated_at.. |
939e0 | 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 37 7c 7d 46 50 01 00 00 10 64 65 66 61 | .}FP....created_at.7|}FP....defa |
93a00 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 | ult_fingerprint_size......inchi. |
93a20 | 70 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 38 48 32 36 4f 35 2f 63 31 2d 31 32 2d 36 2d 35 2d | p...InChI=1S/C18H26O5/c1-12-6-5- |
93a40 | 39 2d 31 34 28 31 39 29 38 2d 34 2d 32 2d 33 2d 37 2d 31 33 2d 31 30 2d 31 35 28 32 30 29 31 31 | 9-14(19)8-4-2-3-7-13-10-15(20)11 |
93a60 | 2d 31 36 28 32 31 29 31 37 28 31 33 29 31 38 28 32 32 29 32 33 2d 31 32 2f 68 31 30 2d 31 32 2c | -16(21)17(13)18(22)23-12/h10-12, |
93a80 | 31 34 2c 31 39 2d 32 31 48 2c 32 2d 39 48 32 2c 31 48 33 00 00 62 03 00 00 07 5f 69 64 00 56 16 | 14,19-21H,2-9H2,1H3..b...._id.V. |
93aa0 | 24 38 2b 72 ed 30 fb 00 00 83 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | $8+r.0.....warnings.......finger |
93ac0 | 70 72 69 6e 74 73 00 55 02 00 00 04 4d 50 32 44 00 4a 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d | prints.U....MP2D.J....0.....1;1- |
93ae0 | 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 31 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | 1-8;2-1-2;..1.....8;1-1-1;1-1-2; |
93b00 | 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 32 00 27 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 2-1-1;2-1-9;..2.'...2;1-1-1;1-1- |
93b20 | 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 00 15 00 | 8;1-1-9;2-1-1;2-2-3;2-1-8;..3... |
93b40 | 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 00 27 00 00 00 31 3b | ..9;1-1-2;2-1-1;2-1-8;..4.'...1; |
93b60 | 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 34 2d 33 3b 32 2d 31 2d 38 3b 32 2d | 1-1-2;1-2-3;1-1-8;2-4-3;2-1-8;2- |
93b80 | 31 2d 39 3b 00 02 35 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b | 1-9;..5.....8;1-1-1;2-1-2;2-2-3; |
93ba0 | 00 02 36 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 34 2d | ..6.!...3;1-1-1;1-2-3;2-1-2;2-4- |
93bc0 | 33 3b 32 2d 31 2d 38 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | 3;2-1-8;..7.....3;1-2-3;2-1-1;2- |
93be0 | 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | 2-3;2-1-15;..8.....3;1-2-3;1-1-1 |
93c00 | 35 3b 32 2d 32 2d 33 3b 00 02 39 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | 5;2-2-3;..9.....15;1-1-3;2-2-3;. |
93c20 | 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 | .10.....3;1-2-3;2-2-3;2-1-15;..1 |
93c40 | 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 32 00 15 00 00 00 33 3b 31 | 1.....3;1-2-3;2-3-3;..12.....3;1 |
93c60 | 2d 33 2d 33 3b 32 2d 31 2d 31 3b 32 2d 34 2d 33 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 33 2d | -3-3;2-1-1;2-4-3;..13.....3;1-3- |
93c80 | 33 3b 32 2d 31 2d 31 3b 32 2d 34 2d 33 3b 00 02 31 34 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 | 3;2-1-1;2-4-3;..14.!...3;1-1-1;1 |
93ca0 | 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 34 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 35 00 15 00 00 00 | -2-3;2-1-2;2-4-3;2-1-8;..15..... |
93cc0 | 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 36 00 0f 00 00 00 33 3b 31 | 3;1-2-3;2-1-1;2-2-3;..16.....3;1 |
93ce0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -2-3;2-2-3;..17.....3;1-2-3;2-2- |
93d00 | 33 3b 00 02 31 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 00 00 02 73 6d 69 | 3;..18.....3;1-2-3;2-3-3;....smi |
93d20 | 6c 65 73 00 22 00 00 00 43 4f 43 28 3d 4f 29 43 31 28 4f 29 63 32 63 63 28 43 6c 29 63 63 63 32 | les."...COC(=O)C1(O)c2cc(Cl)ccc2 |
93d40 | 63 32 63 31 63 63 63 63 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 ef 88 7d 46 50 01 00 00 09 63 | c2c1cccc2..updated_at...}FP....c |
93d60 | 72 65 61 74 65 64 5f 61 74 00 40 7c 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.@|}FP....default_finge |
93d80 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 5b 00 00 00 49 6e 43 68 49 | rprint_size......inchi.[...InChI |
93da0 | 3d 31 53 2f 43 31 35 48 31 31 43 6c 4f 33 2f 63 31 2d 31 39 2d 31 34 28 31 37 29 31 35 28 31 38 | =1S/C15H11ClO3/c1-19-14(17)15(18 |
93dc0 | 29 31 32 2d 35 2d 33 2d 32 2d 34 2d 31 30 28 31 32 29 31 31 2d 37 2d 36 2d 39 28 31 36 29 38 2d | )12-5-3-2-4-10(12)11-7-6-9(16)8- |
93de0 | 31 33 28 31 31 29 31 35 2f 68 32 2d 38 2c 31 38 48 2c 31 48 33 00 00 96 02 00 00 07 5f 69 64 00 | 13(11)15/h2-8,18H,1H3......._id. |
93e00 | 56 16 24 38 2b 72 ed 30 fb 00 00 84 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V.$8+r.0.....warnings.......fing |
93e20 | 65 72 70 72 69 6e 74 73 00 a7 01 00 00 04 4d 50 32 44 00 9c 01 00 00 02 30 00 17 00 00 00 33 32 | erprints......MP2D......0.....32 |
93e40 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 31 00 1c 00 00 00 32 3b 31 2d | ;1-1-2;2-1-1;2-1-32;..1.....2;1- |
93e60 | 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 00 17 00 00 00 33 | 1-1;1-2-32;2-1-1;2-1-8;..2.....3 |
93e80 | 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 33 00 22 00 00 00 31 3b 31 | 2;1-1-2;2-1-1;2-1-32;..3."...1;1 |
93ea0 | 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 32 2d 32 2d 33 32 3b 00 02 | -1-1;1-1-2;1-1-8;2-1-3;2-2-32;.. |
93ec0 | 34 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b | 4.!...8;1-1-1;1-1-3;2-1-1;2-1-2; |
93ee0 | 32 2d 32 2d 33 3b 00 02 35 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d | 2-2-3;..5.....3;1-2-3;1-1-8;2-1- |
93f00 | 31 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | 1;2-2-3;..6.....3;1-2-3;2-2-3;2- |
93f20 | 31 2d 38 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 16 00 | 1-8;..7.....3;1-2-3;2-2-3;..8... |
93f40 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 39 00 16 00 00 00 33 | ..3;1-2-3;2-2-3;2-1-15;..9.....3 |
93f60 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 | ;1-2-3;1-1-15;2-2-3;..10.....3;1 |
93f80 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 35 3b 00 02 31 31 00 10 00 00 | -2-3;2-2-3;2-1-8;2-1-15;..11.... |
93fa0 | 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 15 00 00 00 31 3b 31 2d 31 2d 31 | .15;1-1-3;2-2-3;..12.....1;1-1-1 |
93fc0 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 18 00 00 00 4f 43 28 3d | ;2-1-2;2-1-8;....smiles.....OC(= |
93fe0 | 4f 29 43 28 4f 63 31 63 63 63 63 28 63 31 29 43 6c 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 | O)C(Oc1cccc(c1)Cl)C..updated_at. |
94000 | f2 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 49 7c 7d 46 50 01 00 00 10 64 65 66 | ..}FP....created_at.I|}FP....def |
94020 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
94040 | 00 47 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 39 43 6c 4f 33 2f 63 31 2d 36 28 39 28 31 31 | .G...InChI=1S/C9H9ClO3/c1-6(9(11 |
94060 | 29 31 32 29 31 33 2d 38 2d 34 2d 32 2d 33 2d 37 28 31 30 29 35 2d 38 2f 68 32 2d 36 48 2c 31 48 | )12)13-8-4-2-3-7(10)5-8/h2-6H,1H |
94080 | 33 2c 28 48 2c 31 31 2c 31 32 29 00 00 2a 01 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 | 3,(H,11,12)..*...._id.V.$8+r.0.. |
940a0 | 00 85 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 74 | ...warnings.......fingerprints.t |
940c0 | 00 00 00 04 4d 50 32 44 00 69 00 00 00 02 30 00 12 00 00 00 31 32 3b 31 2d 33 2d 31 32 3b 32 2d | ....MP2D.i....0.....12;1-3-12;2- |
940e0 | 36 2d 31 32 3b 00 02 31 00 12 00 00 00 31 32 3b 31 2d 33 2d 31 32 3b 32 2d 36 2d 31 32 3b 00 02 | 6-12;..1.....12;1-3-12;2-6-12;.. |
94100 | 32 00 12 00 00 00 31 32 3b 31 2d 33 2d 31 32 3b 32 2d 36 2d 31 32 3b 00 02 33 00 12 00 00 00 31 | 2.....12;1-3-12;2-6-12;..3.....1 |
94120 | 32 3b 31 2d 33 2d 31 32 3b 32 2d 36 2d 31 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 0b 00 00 00 50 | 2;1-3-12;2-6-12;....smiles.....P |
94140 | 31 32 50 33 50 31 50 32 33 00 09 75 70 64 61 74 65 64 5f 61 74 00 f4 88 7d 46 50 01 00 00 09 63 | 12P3P1P23..updated_at...}FP....c |
94160 | 72 65 61 74 65 64 5f 61 74 00 50 7c 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.P|}FP....default_finge |
94180 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 1b 00 00 00 49 6e 43 68 49 | rprint_size......inchi.....InChI |
941a0 | 3d 31 53 2f 50 34 2f 63 31 2d 32 2d 33 28 31 29 34 28 31 29 32 00 00 59 02 00 00 07 5f 69 64 00 | =1S/P4/c1-2-3(1)4(1)2..Y...._id. |
941c0 | 56 16 24 38 2b 72 ed 30 fb 00 00 86 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V.$8+r.0.....warnings.......fing |
941e0 | 65 72 70 72 69 6e 74 73 00 73 01 00 00 04 4d 50 32 44 00 68 01 00 00 02 30 00 0f 00 00 00 31 3b | erprints.s....MP2D.h....0.....1; |
94200 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d | 1-1-1;2-1-1;..1.....1;1-2-1;2-1- |
94220 | 31 3b 00 02 32 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 | 1;..2.....1;1-2-1;2-1-1;2-1-8;.. |
94240 | 33 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 00 02 34 00 0f 00 | 3.....1;1-1-1;1-1-8;2-2-1;..4... |
94260 | 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 35 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b | ..8;1-2-1;2-2-1;..5.....1;1-1-1; |
94280 | 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 36 00 1b 00 00 00 31 3b 31 2d 32 2d | 1-1-8;2-2-1;2-1-8;..6.....1;1-2- |
942a0 | 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 37 00 0f 00 00 00 38 3b 31 2d | 1;1-1-8;2-1-1;2-1-8;..7.....8;1- |
942c0 | 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 38 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b | 2-1;2-3-1;..8.....1;1-1-1;1-1-8; |
942e0 | 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 39 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d | 2-2-1;2-1-8;..9.....1;1-2-1;1-1- |
94300 | 38 3b 32 2d 31 2d 38 3b 00 02 31 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 | 8;2-1-8;..10.....8;1-1-1;2-2-1;. |
94320 | 02 31 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 32 | .11.....1;1-1-1;2-1-1;2-1-8;..12 |
94340 | 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 | .....1;1-1-1;2-1-1;2-1-8;....smi |
94360 | 6c 65 73 00 12 00 00 00 43 43 43 43 4f 43 43 28 4f 43 43 28 4f 29 43 29 43 00 09 75 70 64 61 74 | les.....CCCCOCC(OCC(O)C)C..updat |
94380 | 65 64 5f 61 74 00 f7 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 5b 7c 7d 46 50 01 | ed_at...}FP....created_at.[|}FP. |
943a0 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
943c0 | 02 69 6e 63 68 69 00 44 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 32 32 4f 33 2f 63 31 2d | .inchi.D...InChI=1S/C10H22O3/c1- |
943e0 | 34 2d 35 2d 36 2d 31 32 2d 38 2d 31 30 28 33 29 31 33 2d 37 2d 39 28 32 29 31 31 2f 68 39 2d 31 | 4-5-6-12-8-10(3)13-7-9(2)11/h9-1 |
94400 | 31 48 2c 34 2d 38 48 32 2c 31 2d 33 48 33 00 00 71 01 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed | 1H,4-8H2,1-3H3..q...._id.V.$8+r. |
94420 | 30 fb 00 00 87 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | 0.....warnings.......fingerprint |
94440 | 73 00 9d 00 00 00 04 4d 50 32 44 00 92 00 00 00 02 30 00 18 00 00 00 33 32 3b 31 2d 31 2d 32 36 | s......MP2D......0.....32;1-1-26 |
94460 | 3b 32 2d 31 2d 39 3b 32 2d 32 2d 33 32 3b 00 02 31 00 11 00 00 00 32 36 3b 31 2d 31 2d 39 3b 31 | ;2-1-9;2-2-32;..1.....26;1-1-9;1 |
94480 | 2d 33 2d 33 32 3b 00 02 32 00 11 00 00 00 39 3b 31 2d 31 2d 32 36 3b 32 2d 33 2d 33 32 3b 00 02 | -3-32;..2.....9;1-1-26;2-3-32;.. |
944a0 | 33 00 18 00 00 00 33 32 3b 31 2d 31 2d 32 36 3b 32 2d 31 2d 39 3b 32 2d 32 2d 33 32 3b 00 02 34 | 3.....32;1-1-26;2-1-9;2-2-32;..4 |
944c0 | 00 18 00 00 00 33 32 3b 31 2d 31 2d 32 36 3b 32 2d 31 2d 39 3b 32 2d 32 2d 33 32 3b 00 00 00 02 | .....32;1-1-26;2-1-9;2-2-32;.... |
944e0 | 73 6d 69 6c 65 73 00 17 00 00 00 5b 4f 2d 5d 5b 41 73 5d 28 3d 4f 29 28 5b 4f 2d 5d 29 5b 4f 2d | smiles.....[O-][As](=O)([O-])[O- |
94500 | 5d 00 09 75 70 64 61 74 65 64 5f 61 74 00 fd 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | ]..updated_at...}FP....created_a |
94520 | 74 00 68 7c 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t.h|}FP....default_fingerprint_s |
94540 | 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 2d 00 00 00 49 6e 43 68 49 3d 31 53 2f 41 73 48 33 | ize......inchi.-...InChI=1S/AsH3 |
94560 | 4f 34 2f 63 32 2d 31 28 33 2c 34 29 35 2f 68 28 48 33 2c 32 2c 33 2c 34 2c 35 29 2f 70 2d 33 00 | O4/c2-1(3,4)5/h(H3,2,3,4,5)/p-3. |
94580 | 00 c8 03 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 88 04 77 61 72 6e 69 6e 67 73 00 | ......_id.V.$8+r.0.....warnings. |
945a0 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b1 02 00 00 04 4d 50 32 44 00 a6 02 00 | ......fingerprints......MP2D.... |
945c0 | 00 02 30 00 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 | ..0.....16;1-1-3;2-2-3;..1.....3 |
945e0 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d | ;1-2-3;1-1-16;2-2-3;..2.....3;1- |
94600 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-2-3;2-1-16;..3.....3;1-2-3 |
94620 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 37 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | ;2-2-3;2-1-27;..4.....3;1-2-3;1- |
94640 | 31 2d 32 37 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 | 1-27;2-1-1;2-3-3;..5.....3;1-2-3 |
94660 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 37 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-3;2-1-27;..6.....3;1-2-3;2- |
94680 | 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 37 00 1d 00 00 00 32 37 3b 31 2d 31 2d 31 3b 31 2d 32 2d | 2-3;2-1-16;..7.....27;1-1-1;1-2- |
946a0 | 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 3;2-4-3;2-1-11;..8.....3;1-2-3;1 |
946c0 | 2d 31 2d 32 37 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 32 2d | -1-27;2-1-1;2-3-3;..9.....3;1-2- |
946e0 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 37 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | 3;2-2-3;2-1-27;..10.....3;1-2-3; |
94700 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 2-2-3;2-1-16;..11.....3;1-2-3;1- |
94720 | 31 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 31 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 1-16;2-2-3;..12.....3;1-2-3;2-2- |
94740 | 33 3b 32 2d 31 2d 31 36 3b 00 02 31 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | 3;2-1-16;..13.....3;1-2-3;2-2-3; |
94760 | 32 2d 31 2d 32 37 3b 00 02 31 34 00 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | 2-1-27;..14.....16;1-1-3;2-2-3;. |
94780 | 02 31 35 00 1e 00 00 00 31 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 32 37 3b 32 2d 33 2d 33 3b 32 2d | .15.....1;1-1-11;1-1-27;2-3-3;2- |
947a0 | 31 2d 31 31 3b 00 02 31 36 00 2b 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 | 1-11;..16.+...11;1-1-1;1-1-3;1-1 |
947c0 | 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 32 37 3b 00 02 31 37 00 1d 00 00 | -11;2-1-3;2-1-11;2-1-27;..17.... |
947e0 | 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 | .3;1-2-11;2-1-1;2-1-3;2-1-11;..1 |
94800 | 38 00 11 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 39 00 17 00 00 00 33 | 8.....11;1-2-3;2-2-11;..19.....3 |
94820 | 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 30 00 24 00 00 00 31 31 | ;1-2-11;2-1-3;2-1-11;..20.$...11 |
94840 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 | ;1-1-3;1-1-11;2-1-1;2-1-3;2-1-11 |
94860 | 3b 00 00 00 02 73 6d 69 6c 65 73 00 25 00 00 00 46 63 31 63 63 63 28 63 63 31 29 5b 53 69 5d 28 | ;....smiles.%...Fc1ccc(cc1)[Si]( |
94880 | 63 31 63 63 63 28 63 63 31 29 46 29 43 6e 31 63 6e 63 6e 31 00 09 75 70 64 61 74 65 64 5f 61 74 | c1ccc(cc1)F)Cn1cncn1..updated_at |
948a0 | 00 ff 88 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 70 7c 7d 46 50 01 00 00 10 64 65 | ...}FP....created_at.p|}FP....de |
948c0 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 | fault_fingerprint_size......inch |
948e0 | 69 00 62 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 31 32 46 32 4e 33 53 69 2f 63 31 36 2d | i.b...InChI=1S/C15H12F2N3Si/c16- |
94900 | 31 32 2d 31 2d 35 2d 31 34 28 36 2d 32 2d 31 32 29 32 31 28 31 31 2d 32 30 2d 31 30 2d 31 38 2d | 12-1-5-14(6-2-12)21(11-20-10-18- |
94920 | 39 2d 31 39 2d 32 30 29 31 35 2d 37 2d 33 2d 31 33 28 31 37 29 34 2d 38 2d 31 35 2f 68 31 2d 31 | 9-19-20)15-7-3-13(17)4-8-15/h1-1 |
94940 | 30 48 2c 31 31 48 32 00 00 d4 01 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 89 04 77 | 0H,11H2......._id.V.$8+r.0.....w |
94960 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 05 01 00 00 04 | arnings.......fingerprints...... |
94980 | 4d 50 32 44 00 fa 00 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 | MP2D......0.....1;1-1-8;2-1-12;. |
949a0 | 02 31 00 23 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 35 3b 32 2d 31 2d | .1.#...8;1-1-1;1-1-12;2-1-5;2-1- |
949c0 | 39 3b 32 2d 31 2d 31 30 3b 00 02 32 00 23 00 00 00 31 32 3b 31 2d 31 2d 35 3b 31 2d 31 2d 38 3b | 9;2-1-10;..2.#...12;1-1-5;1-1-8; |
949e0 | 31 2d 31 2d 39 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 31 3b 00 02 33 00 1d 00 00 00 39 3b 31 2d 31 | 1-1-9;1-1-10;2-2-1;..3.....9;1-1 |
94a00 | 2d 31 32 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 00 02 34 00 23 00 00 00 31 | -12;2-1-5;2-1-8;2-1-10;..4.#...1 |
94a20 | 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 | 0;1-1-1;1-1-12;2-1-5;2-1-8;2-1-9 |
94a40 | 3b 00 02 35 00 11 00 00 00 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 32 3b 00 02 36 00 1d 00 00 | ;..5.....1;1-1-10;2-1-12;..6.... |
94a60 | 00 35 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 30 3b 00 00 00 | .5;1-1-12;2-1-8;2-1-9;2-1-10;... |
94a80 | 02 73 6d 69 6c 65 73 00 0d 00 00 00 43 4f 50 28 3d 4f 29 28 53 43 29 4e 00 09 75 70 64 61 74 65 | .smiles.....COP(=O)(SC)N..update |
94aa0 | 64 5f 61 74 00 10 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 7a 7c 7d 46 50 01 00 | d_at...}FP....created_at.z|}FP.. |
94ac0 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 | ..default_fingerprint_size...... |
94ae0 | 69 6e 63 68 69 00 32 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 38 4e 4f 32 50 53 2f 63 31 2d | inchi.2...InChI=1S/C2H8NO2PS/c1- |
94b00 | 35 2d 36 28 33 2c 34 29 37 2d 32 2f 68 31 2d 32 48 33 2c 28 48 32 2c 33 2c 34 29 00 00 58 02 00 | 5-6(3,4)7-2/h1-2H3,(H2,3,4)..X.. |
94b20 | 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 8a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V.$8+r.0.....warnings..... |
94b40 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 7a 01 00 00 04 4d 50 32 44 00 6f 01 00 00 02 30 00 | ..fingerprints.z....MP2D.o....0. |
94b60 | 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 00 24 00 00 00 38 3b 31 2d 31 | ....1;1-1-8;2-1-12;..1.$...8;1-1 |
94b80 | 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 32 38 3b 00 02 | -1;1-1-12;2-1-9;2-1-10;2-1-28;.. |
94ba0 | 32 00 2a 00 00 00 31 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d | 2.*...12;1-1-8;1-1-9;1-1-10;1-1- |
94bc0 | 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 00 1e 00 00 00 39 3b 31 2d 31 2d 31 32 3b | 28;2-2-1;2-1-2;..3.....9;1-1-12; |
94be0 | 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 32 38 3b 00 02 34 00 2a 00 00 00 32 38 3b 31 | 2-1-8;2-1-10;2-1-28;..4.*...28;1 |
94c00 | 2d 31 2d 32 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 32 2d | -1-2;1-1-12;2-1-1;2-1-8;2-2-9;2- |
94c20 | 31 2d 31 30 3b 00 02 35 00 1d 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 | 1-10;..5.....2;1-1-1;1-1-9;1-1-2 |
94c40 | 38 3b 32 2d 31 2d 31 32 3b 00 02 36 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 | 8;2-1-12;..6.....9;1-1-2;2-1-1;2 |
94c60 | 2d 31 2d 32 38 3b 00 02 37 00 16 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d | -1-28;..7.....1;1-1-2;2-1-9;2-1- |
94c80 | 32 38 3b 00 02 38 00 24 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 38 | 28;..8.$...10;1-1-1;1-1-12;2-1-8 |
94ca0 | 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 39 00 11 00 00 00 31 3b 31 2d 31 2d 31 30 3b 32 | ;2-1-9;2-1-28;..9.....1;1-1-10;2 |
94cc0 | 2d 31 2d 31 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 13 00 00 00 43 4f 50 28 3d 4f 29 28 4e 43 28 | -1-12;....smiles.....COP(=O)(NC( |
94ce0 | 3d 4f 29 43 29 53 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 f9 8b 7d 46 50 01 00 00 09 63 72 65 | =O)C)SC..updated_at...}FP....cre |
94d00 | 61 74 65 64 5f 61 74 00 84 7c 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at..|}FP....default_fingerp |
94d20 | 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 3b 00 00 00 49 6e 43 68 49 3d 31 | rint_size......inchi.;...InChI=1 |
94d40 | 53 2f 43 34 48 31 30 4e 4f 33 50 53 2f 63 31 2d 34 28 36 29 35 2d 39 28 37 2c 38 2d 32 29 31 30 | S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10 |
94d60 | 2d 33 2f 68 31 2d 33 48 33 2c 28 48 2c 35 2c 36 2c 37 29 00 00 00 03 00 00 07 5f 69 64 00 56 16 | -3/h1-3H3,(H,5,6,7)......._id.V. |
94d80 | 24 38 2b 72 ed 30 fb 00 00 8b 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | $8+r.0.....warnings.......finger |
94da0 | 70 72 69 6e 74 73 00 0a 02 00 00 04 4d 50 32 44 00 ff 01 00 00 02 30 00 10 00 00 00 39 3b 31 2d | prints......MP2D......0.....9;1- |
94dc0 | 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 31 00 16 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 32 2d 32 | 1-2;2-2-28;..1.....2;1-1-9;1-2-2 |
94de0 | 38 3b 32 2d 32 2d 33 3b 00 02 32 00 2a 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 | 8;2-2-3;..2.*...28;1-1-2;1-1-3;2 |
94e00 | 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 32 38 3b 00 02 33 00 24 00 00 | -1-3;2-1-9;2-1-18;2-1-28;..3.$.. |
94e20 | 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 38 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 | .3;1-1-3;1-1-18;1-1-28;2-1-2;2-2 |
94e40 | 2d 31 31 3b 00 02 34 00 25 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 | -11;..4.%...3;1-1-3;1-1-11;2-1-1 |
94e60 | 31 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 32 38 3b 00 02 35 00 1e 00 00 00 31 31 3b 31 2d 31 2d 33 | 1;2-1-18;2-1-28;..5.....11;1-1-3 |
94e80 | 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 36 00 18 00 00 00 31 31 3b | ;1-1-11;2-1-3;2-1-18;..6.....11; |
94ea0 | 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 33 3b 00 02 37 00 25 00 00 00 31 38 3b 31 | 1-1-11;1-1-18;2-2-3;..7.%...18;1 |
94ec0 | 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 32 38 3b | -1-3;1-1-11;2-1-3;2-1-11;2-1-28; |
94ee0 | 00 02 38 00 23 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | ..8.#...28;1-1-2;1-1-3;2-2-3;2-1 |
94f00 | 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 39 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 | -9;2-1-28;..9.....3;1-2-3;1-1-28 |
94f20 | 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-1-2;2-2-3;..10.....3;1-2-3;2- |
94f40 | 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-3;2-1-28;..11.....3;1-2-3;2-2- |
94f60 | 33 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 | 3;..12.....3;1-2-3;2-2-3;..13... |
94f80 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 | ..3;1-2-3;2-2-3;..14.....3;1-2-3 |
94fa0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 17 00 00 00 4f 3d 43 | ;2-2-3;2-1-28;....smiles.....O=C |
94fc0 | 28 4e 63 31 63 6e 6e 73 31 29 4e 63 31 63 63 63 63 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 | (Nc1cnns1)Nc1ccccc1..updated_at. |
94fe0 | 0a 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 8b 7c 7d 46 50 01 00 00 10 64 65 66 | ..}FP....created_at..|}FP....def |
95000 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
95020 | 00 4f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 38 4e 34 4f 53 2f 63 31 34 2d 39 28 31 32 2d | .O...InChI=1S/C9H8N4OS/c14-9(12- |
95040 | 38 2d 36 2d 31 30 2d 31 33 2d 31 35 2d 38 29 31 31 2d 37 2d 34 2d 32 2d 31 2d 33 2d 35 2d 37 2f | 8-6-10-13-15-8)11-7-4-2-1-3-5-7/ |
95060 | 68 31 2d 36 48 2c 28 48 32 2c 31 31 2c 31 32 2c 31 34 29 00 00 0d 04 00 00 07 5f 69 64 00 56 16 | h1-6H,(H2,11,12,14)......._id.V. |
95080 | 24 38 2b 72 ed 30 fb 00 00 8c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | $8+r.0.....warnings.......finger |
950a0 | 70 72 69 6e 74 73 00 eb 02 00 00 04 4d 50 32 44 00 e0 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d | prints......MP2D......0.....1;1- |
950c0 | 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b | 1-1;2-1-8;..1.....1;1-1-1;1-1-8; |
950e0 | 32 2d 31 2d 31 32 3b 00 02 32 00 29 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d | 2-1-12;..2.)...8;1-1-1;1-1-12;2- |
95100 | 31 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 33 00 23 00 00 00 31 | 1-1;2-1-5;2-1-8;2-1-18;..3.#...1 |
95120 | 32 3b 31 2d 31 2d 35 3b 31 2d 32 2d 38 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 | 2;1-1-5;1-2-8;1-1-18;2-2-1;2-1-3 |
95140 | 3b 00 02 34 00 17 00 00 00 31 38 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 35 3b 32 2d 32 2d 38 3b 00 | ;..4.....18;1-1-12;2-1-5;2-2-8;. |
95160 | 02 35 00 29 00 00 00 38 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d | .5.)...8;1-1-3;1-1-12;2-2-3;2-1- |
95180 | 35 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 36 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 5;2-1-8;2-1-18;..6."...3;1-2-3;1 |
951a0 | 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 32 3b 00 02 37 00 15 00 00 00 | -1-8;2-1-2;2-2-3;2-1-12;..7..... |
951c0 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d | 3;1-2-3;2-2-3;2-1-8;..8.....3;1- |
951e0 | 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | 2-3;2-2-3;..9.....3;1-2-3;2-2-3; |
95200 | 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 | ..10.....3;1-2-3;2-1-2;2-2-3;..1 |
95220 | 31 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b | 1.!...3;1-1-2;1-2-3;2-2-3;2-2-8; |
95240 | 32 2d 31 2d 39 3b 00 02 31 32 00 21 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 | 2-1-9;..12.!...2;1-1-3;1-1-8;1-1 |
95260 | 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 33 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b | -9;2-1-1;2-2-3;..13.....9;1-1-2; |
95280 | 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 34 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-1-3;2-1-8;..14.!...8;1-1-1;1-1 |
952a0 | 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 35 00 15 00 00 00 31 3b | -2;2-2-1;2-1-3;2-1-9;..15.....1; |
952c0 | 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 31 36 00 15 00 00 00 31 3b 31 2d 31 | 1-2-1;1-1-8;2-1-2;..16.....1;1-1 |
952e0 | 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 37 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b | -1;2-1-1;2-1-8;..17.....1;1-1-1; |
95300 | 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 38 00 23 00 00 00 35 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-1-1;2-1-8;..18.#...5;1-1-1;1-1 |
95320 | 2d 31 32 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 31 39 00 16 00 00 00 | -12;2-2-1;2-2-8;2-1-18;..19..... |
95340 | 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 32 3b 00 02 32 30 00 15 00 00 00 31 3b | 1;1-2-1;1-1-5;2-1-12;..20.....1; |
95360 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 32 31 00 15 00 00 00 31 3b 31 2d 31 | 1-1-1;2-1-1;2-1-5;..21.....1;1-1 |
95380 | 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 25 00 00 00 43 43 | -1;2-1-1;2-1-5;....smiles.%...CC |
953a0 | 4f 50 28 3d 53 29 28 4f 63 31 63 63 63 63 63 31 43 28 3d 4f 29 4f 43 28 43 29 43 29 4e 43 28 43 | OP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C |
953c0 | 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 0d 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | )C..updated_at...}FP....created_ |
953e0 | 61 74 00 93 7c 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at..|}FP....default_fingerprint_ |
95400 | 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 6d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 | size......inchi.m...InChI=1S/C15 |
95420 | 48 32 34 4e 4f 34 50 53 2f 63 31 2d 36 2d 31 38 2d 32 31 28 32 32 2c 31 36 2d 31 31 28 32 29 33 | H24NO4PS/c1-6-18-21(22,16-11(2)3 |
95440 | 29 32 30 2d 31 34 2d 31 30 2d 38 2d 37 2d 39 2d 31 33 28 31 34 29 31 35 28 31 37 29 31 39 2d 31 | )20-14-10-8-7-9-13(14)15(17)19-1 |
95460 | 32 28 34 29 35 2f 68 37 2d 31 32 48 2c 36 48 32 2c 31 2d 35 48 33 2c 28 48 2c 31 36 2c 32 32 29 | 2(4)5/h7-12H,6H2,1-5H3,(H,16,22) |
95480 | 00 00 1f 04 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 8d 04 77 61 72 6e 69 6e 67 73 | ......._id.V.$8+r.0.....warnings |
954a0 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 15 03 00 00 04 4d 50 32 44 00 0a 03 | .......fingerprints......MP2D... |
954c0 | 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 00 02 31 00 1c 00 00 00 | ...0.....1;1-1-10;2-1-2;..1..... |
954e0 | 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 32 00 22 | 10;1-1-1;1-1-2;2-1-1;2-1-6;..2." |
95500 | 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d | ...2;1-1-1;1-1-6;1-1-10;2-1-1;2- |
95520 | 31 2d 38 3b 00 02 33 00 22 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b | 1-8;..3."...6;1-1-2;1-1-8;2-1-1; |
95540 | 32 2d 31 2d 32 3b 32 2d 31 2d 31 30 3b 00 02 34 00 22 00 00 00 38 3b 31 2d 31 2d 32 3b 31 2d 31 | 2-1-2;2-1-10;..4."...8;1-1-2;1-1 |
95560 | 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 35 00 29 00 00 00 32 3b | -6;2-1-2;2-1-9;2-1-28;..5.)...2; |
95580 | 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 | 1-1-8;1-1-9;1-1-28;2-1-1;2-1-6;2 |
955a0 | 2d 31 2d 31 30 3b 00 02 36 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d | -1-10;..6.....9;1-1-2;2-1-8;2-1- |
955c0 | 32 38 3b 00 02 37 00 2a 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 30 | 28;..7.*...28;1-1-1;1-1-2;1-1-10 |
955e0 | 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 38 00 17 00 00 00 31 30 3b 31 | ;2-1-8;2-1-9;2-1-28;..8.....10;1 |
95600 | 2d 32 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 39 00 2a 00 00 00 32 38 3b 31 2d 31 | -2-28;2-2-1;2-2-2;..9.*...28;1-1 |
95620 | 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d | -1;1-1-2;1-1-10;2-1-8;2-1-9;2-1- |
95640 | 32 38 3b 00 02 31 30 00 29 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 | 28;..10.)...2;1-1-8;1-1-9;1-1-28 |
95660 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 30 3b 00 02 31 31 00 16 00 00 00 39 3b 31 | ;2-1-1;2-1-6;2-1-10;..11.....9;1 |
95680 | 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 22 00 00 00 38 3b 31 2d 31 | -1-2;2-1-8;2-1-28;..12."...8;1-1 |
956a0 | 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 33 | -2;1-1-6;2-1-2;2-1-9;2-1-28;..13 |
956c0 | 00 22 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 | ."...6;1-1-2;1-1-8;2-1-1;2-1-2;2 |
956e0 | 2d 31 2d 31 30 3b 00 02 31 34 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 | -1-10;..14."...2;1-1-1;1-1-6;1-1 |
95700 | 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 35 00 1c 00 00 00 31 30 3b 31 2d 31 2d | -10;2-1-1;2-1-8;..15.....10;1-1- |
95720 | 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 36 00 10 00 00 00 31 3b 31 | 1;1-1-2;2-1-1;2-1-6;..16.....1;1 |
95740 | 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 00 02 31 37 00 16 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 | -1-10;2-1-2;..17.....1;1-1-2;2-1 |
95760 | 2d 36 3b 32 2d 31 2d 31 30 3b 00 02 31 38 00 17 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d | -6;2-1-10;..18.....1;1-1-28;2-1- |
95780 | 32 3b 32 2d 31 2d 31 30 3b 00 02 31 39 00 17 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 | 2;2-1-10;..19.....1;1-1-28;2-1-2 |
957a0 | 3b 32 2d 31 2d 31 30 3b 00 02 32 30 00 16 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 | ;2-1-10;..20.....1;1-1-2;2-1-6;2 |
957c0 | 2d 31 2d 31 30 3b 00 00 00 02 73 6d 69 6c 65 73 00 26 00 00 00 43 53 43 28 3d 4e 4f 43 28 3d 4f | -1-10;....smiles.&...CSC(=NOC(=O |
957e0 | 29 4e 28 53 4e 28 43 28 3d 4f 29 4f 4e 3d 43 28 53 43 29 43 29 43 29 43 29 43 00 09 75 70 64 61 | )N(SN(C(=O)ON=C(SC)C)C)C)C..upda |
95800 | 74 65 64 5f 61 74 00 10 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 9a 7c 7d 46 50 | ted_at...}FP....created_at..|}FP |
95820 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
95840 | 00 02 69 6e 63 68 69 00 54 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 38 4e 34 4f 34 53 | ..inchi.T...InChI=1S/C10H18N4O4S |
95860 | 33 2f 63 31 2d 37 28 31 39 2d 35 29 31 31 2d 31 37 2d 39 28 31 35 29 31 33 28 33 29 32 31 2d 31 | 3/c1-7(19-5)11-17-9(15)13(3)21-1 |
95880 | 34 28 34 29 31 30 28 31 36 29 31 38 2d 31 32 2d 38 28 32 29 32 30 2d 36 2f 68 31 2d 36 48 33 00 | 4(4)10(16)18-12-8(2)20-6/h1-6H3. |
958a0 | 00 a0 03 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 8e 04 77 61 72 6e 69 6e 67 73 00 | ......_id.V.$8+r.0.....warnings. |
958c0 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 93 02 00 00 04 4d 50 32 44 00 88 02 00 | ......fingerprints......MP2D.... |
958e0 | 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 16 00 00 00 31 3b | ..0.....1;1-1-1;2-1-8;..1.....1; |
95900 | 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 32 00 23 00 00 00 38 3b 31 2d 31 | 1-1-1;1-1-8;2-1-12;..2.#...8;1-1 |
95920 | 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 33 | -1;1-1-12;2-1-1;2-2-8;2-1-18;..3 |
95940 | 00 1d 00 00 00 31 32 3b 31 2d 33 2d 38 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 | .....12;1-3-8;1-1-18;2-2-1;2-1-3 |
95960 | 3b 00 02 34 00 11 00 00 00 31 38 3b 31 2d 31 2d 31 32 3b 32 2d 33 2d 38 3b 00 02 35 00 2a 00 00 | ;..4.....18;1-1-12;2-3-8;..5.*.. |
95980 | 00 38 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 33 3b 32 2d 32 2d 38 3b 32 2d 31 2d | .8;1-1-3;1-1-12;2-1-3;2-2-8;2-1- |
959a0 | 31 31 3b 32 2d 31 2d 31 38 3b 00 02 36 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b | 11;2-1-18;..6.#...3;1-1-3;1-1-8; |
959c0 | 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 32 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d | 1-1-11;2-2-3;2-1-12;..7.....3;1- |
959e0 | 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 31 3b 00 02 38 00 1c 00 00 00 33 | 2-3;2-1-1;2-1-8;2-2-11;..8.....3 |
95a00 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 39 00 16 00 | ;1-1-1;1-1-3;1-1-11;2-2-3;..9... |
95a20 | 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 1d 00 00 00 | ..1;1-1-3;2-1-3;2-1-11;..10..... |
95a40 | 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 31 | 11;1-2-3;2-2-1;2-1-3;2-1-11;..11 |
95a60 | 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b | .....3;1-1-1;1-2-11;2-2-1;2-2-3; |
95a80 | 00 02 31 32 00 23 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d | ..12.#...11;1-2-3;2-1-1;2-1-3;2- |
95aa0 | 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 31 33 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d | 1-8;2-1-11;..13.....1;1-2-1;1-1- |
95ac0 | 33 3b 32 2d 32 2d 31 31 3b 00 02 31 34 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b | 3;2-2-11;..14.....1;1-1-1;2-1-1; |
95ae0 | 32 2d 31 2d 33 3b 00 02 31 35 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 | 2-1-3;..15.....1;1-1-1;2-1-1;2-1 |
95b00 | 2d 33 3b 00 02 31 36 00 23 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 | -3;..16.#...8;1-1-1;1-1-12;2-1-1 |
95b20 | 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 31 37 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | ;2-2-8;2-1-18;..17.....1;1-1-1;1 |
95b40 | 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 38 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 | -1-8;2-1-12;..18.....1;1-1-1;2-1 |
95b60 | 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 21 00 00 00 43 43 4f 50 28 3d 53 29 28 4f 63 31 63 63 | -8;....smiles.!...CCOP(=S)(Oc1cc |
95b80 | 28 43 29 6e 63 28 6e 31 29 43 28 43 29 43 29 4f 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 1e | (C)nc(n1)C(C)C)OCC..updated_at.. |
95ba0 | 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a2 7c 7d 46 50 01 00 00 10 64 65 66 61 | .}FP....created_at..|}FP....defa |
95bc0 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 | ult_fingerprint_size......inchi. |
95be0 | 5c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 32 31 4e 32 4f 33 50 53 2f 63 31 2d 36 2d 31 | \...InChI=1S/C12H21N2O3PS/c1-6-1 |
95c00 | 35 2d 31 38 28 31 39 2c 31 36 2d 37 2d 32 29 31 37 2d 31 31 2d 38 2d 31 30 28 35 29 31 33 2d 31 | 5-18(19,16-7-2)17-11-8-10(5)13-1 |
95c20 | 32 28 31 34 2d 31 31 29 39 28 33 29 34 2f 68 38 2d 39 48 2c 36 2d 37 48 32 2c 31 2d 35 48 33 00 | 2(14-11)9(3)4/h8-9H,6-7H2,1-5H3. |
95c40 | 00 83 01 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 8f 04 77 61 72 6e 69 6e 67 73 00 | ......_id.V.$8+r.0.....warnings. |
95c60 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 bc 00 00 00 04 4d 50 32 44 00 b1 00 00 | ......fingerprints......MP2D.... |
95c80 | 00 02 30 00 0f 00 00 00 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 00 15 00 00 00 31 3b | ..0.....5;1-1-1;2-2-1;..1.....1; |
95ca0 | 31 2d 32 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 32 00 15 00 00 00 31 3b 31 2d 32 2d | 1-2-1;1-1-5;2-2-1;..2.....1;1-2- |
95cc0 | 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 33 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d | 1;2-2-1;2-1-5;..3.....1;1-2-1;2- |
95ce0 | 32 2d 31 3b 00 02 34 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 35 00 0f 00 | 2-1;..4.....1;1-2-1;2-2-1;..5... |
95d00 | 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 36 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b | ..1;1-2-1;2-2-1;..6.....1;1-2-1; |
95d20 | 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 0a 00 00 00 4e 43 31 43 43 | 2-2-1;2-1-5;....smiles.....NC1CC |
95d40 | 43 43 43 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 37 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 | CCC1..updated_at.7.}FP....create |
95d60 | 64 5f 61 74 00 a9 7c 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at..|}FP....default_fingerprin |
95d80 | 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 2d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.-...InChI=1S/C |
95da0 | 36 48 31 33 4e 2f 63 37 2d 36 2d 34 2d 32 2d 31 2d 33 2d 35 2d 36 2f 68 36 48 2c 31 2d 35 2c 37 | 6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7 |
95dc0 | 48 32 00 00 3f 02 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 90 04 77 61 72 6e 69 6e | H2..?...._id.V.$8+r.0.....warnin |
95de0 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 58 01 00 00 04 4d 50 32 44 00 | gs.......fingerprints.X....MP2D. |
95e00 | 4d 01 00 00 02 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 | M....0.....32;1-1-2;2-1-1;2-1-32 |
95e20 | 3b 00 02 31 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d 35 3b 00 02 | ;..1.....2;1-1-1;1-2-32;2-1-5;.. |
95e40 | 32 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 33 00 | 2.....32;1-1-2;2-1-1;2-1-32;..3. |
95e60 | 1c 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 32 3b 00 | ....1;1-1-2;1-1-5;2-1-1;2-2-32;. |
95e80 | 02 34 00 16 00 00 00 35 3b 31 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 32 3b 00 02 35 00 | .4.....5;1-2-1;2-1-2;2-1-12;..5. |
95ea0 | 22 00 00 00 31 3b 31 2d 31 2d 35 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 32 | "...1;1-1-5;1-1-12;2-1-1;2-2-8;2 |
95ec0 | 2d 31 2d 39 3b 00 02 36 00 1c 00 00 00 31 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 38 3b 31 2d 31 2d | -1-9;..6.....12;1-1-1;1-2-8;1-1- |
95ee0 | 39 3b 32 2d 31 2d 35 3b 00 02 37 00 16 00 00 00 39 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 | 9;2-1-5;..7.....9;1-1-12;2-1-1;2 |
95f00 | 2d 32 2d 38 3b 00 02 38 00 1c 00 00 00 38 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d | -2-8;..8.....8;1-1-12;2-1-1;2-1- |
95f20 | 38 3b 32 2d 31 2d 39 3b 00 02 39 00 1c 00 00 00 38 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 | 8;2-1-9;..9.....8;1-1-12;2-1-1;2 |
95f40 | 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 13 00 00 00 4f 43 28 3d 4f 29 | -1-8;2-1-9;....smiles.....OC(=O) |
95f60 | 43 4e 43 50 28 3d 4f 29 28 4f 29 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 0b 8c 7d 46 50 01 00 | CNCP(=O)(O)O..updated_at...}FP.. |
95f80 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 bd 7c 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at..|}FP....default_fi |
95fa0 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 44 00 00 00 49 6e | ngerprint_size......inchi.D...In |
95fc0 | 43 68 49 3d 31 53 2f 43 33 48 38 4e 4f 35 50 2f 63 35 2d 33 28 36 29 31 2d 34 2d 32 2d 31 30 28 | ChI=1S/C3H8NO5P/c5-3(6)1-4-2-10( |
95fe0 | 37 2c 38 29 39 2f 68 34 48 2c 31 2d 32 48 32 2c 28 48 2c 35 2c 36 29 28 48 32 2c 37 2c 38 2c 39 | 7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9 |
96000 | 29 00 00 b0 01 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 91 04 77 61 72 6e 69 6e 67 | )......._id.V.$8+r.0.....warning |
96020 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 e4 00 00 00 04 4d 50 32 44 00 d9 | s.......fingerprints......MP2D.. |
96040 | 00 00 00 02 30 00 11 00 00 00 31 38 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 31 00 17 00 | ....0.....18;1-1-2;2-2-28;..1... |
96060 | 00 00 32 3b 31 2d 31 2d 31 38 3b 31 2d 32 2d 32 38 3b 32 2d 32 2d 31 3b 00 02 32 00 24 00 00 00 | ..2;1-1-18;1-2-28;2-2-1;..2.$... |
96080 | 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d | 28;1-1-1;1-1-2;2-1-1;2-1-18;2-1- |
960a0 | 32 38 3b 00 02 33 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b | 28;..3.....1;1-1-1;1-1-28;2-1-2; |
960c0 | 32 2d 31 2d 32 38 3b 00 02 34 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d | 2-1-28;..4.....1;1-1-1;1-1-28;2- |
960e0 | 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 02 35 00 24 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 1-2;2-1-28;..5.$...28;1-1-1;1-1- |
96100 | 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 6d 69 6c 65 73 | 2;2-1-1;2-1-18;2-1-28;....smiles |
96120 | 00 0a 00 00 00 53 3d 43 31 4e 43 43 4e 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 50 8c 7d 46 50 | .....S=C1NCCN1..updated_at.P.}FP |
96140 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c3 7c 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at..|}FP....default_ |
96160 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 32 00 00 00 | fingerprint_size......inchi.2... |
96180 | 49 6e 43 68 49 3d 31 53 2f 43 33 48 36 4e 32 53 2f 63 36 2d 33 2d 34 2d 31 2d 32 2d 35 2d 33 2f | InChI=1S/C3H6N2S/c6-3-4-1-2-5-3/ |
961a0 | 68 31 2d 32 48 32 2c 28 48 32 2c 34 2c 35 2c 36 29 00 00 fd 02 00 00 07 5f 69 64 00 56 16 24 38 | h1-2H2,(H2,4,5,6)......._id.V.$8 |
961c0 | 2b 72 ed 30 fb 00 00 92 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.0.....warnings.......fingerpr |
961e0 | 69 6e 74 73 00 fd 01 00 00 04 4d 50 32 44 00 f2 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d | ints......MP2D......0.....1;1-1- |
96200 | 38 3b 32 2d 31 2d 32 38 3b 00 02 31 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b | 8;2-1-28;..1.....8;1-1-1;1-1-28; |
96220 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 29 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-1-1;2-1-2;..2.)...28;1-1-1;1-1 |
96240 | 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 33 00 | -2;1-1-8;2-1-1;2-1-9;2-1-28;..3. |
96260 | 22 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 32 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 | "...2;1-1-9;1-2-28;2-1-1;2-1-3;2 |
96280 | 2d 31 2d 38 3b 00 02 34 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 35 00 | -1-8;..4.....9;1-1-2;2-2-28;..5. |
962a0 | 23 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 | #...28;1-1-2;1-1-3;2-2-3;2-1-9;2 |
962c0 | 2d 31 2d 32 38 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 31 | -1-28;..6.....3;1-2-3;1-1-28;2-1 |
962e0 | 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | -2;2-2-3;..7.....3;1-2-3;2-2-3;2 |
96300 | 2d 31 2d 32 38 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | -1-28;..8.....3;1-2-3;2-2-3;2-1- |
96320 | 31 35 3b 00 02 39 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b | 15;..9.....3;1-2-3;1-1-15;2-2-3; |
96340 | 32 2d 31 2d 31 35 3b 00 02 31 30 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 | 2-1-15;..10.....3;1-2-3;1-1-15;2 |
96360 | 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 31 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | -2-3;2-1-15;..11.....3;1-2-3;2-2 |
96380 | 2d 33 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 10 00 00 00 31 35 3b 31 2d 31 | -3;2-1-15;2-1-28;..12.....15;1-1 |
963a0 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | -3;2-2-3;..13.....15;1-1-3;2-2-3 |
963c0 | 3b 00 02 31 34 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 | ;..14.....1;1-1-28;2-1-2;2-1-8;. |
963e0 | 00 00 02 73 6d 69 6c 65 73 00 1d 00 00 00 43 4f 4e 28 43 28 3d 4f 29 4e 63 31 63 63 63 28 63 28 | ...smiles.....CON(C(=O)Nc1ccc(c( |
96400 | 63 31 29 43 6c 29 43 6c 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 42 8b 7d 46 50 01 00 00 09 | c1)Cl)Cl)C..updated_at.B.}FP.... |
96420 | 63 72 65 61 74 65 64 5f 61 74 00 c9 7c 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at..|}FP....default_fing |
96440 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 53 00 00 00 49 6e 43 68 | erprint_size......inchi.S...InCh |
96460 | 49 3d 31 53 2f 43 39 48 31 30 43 6c 32 4e 32 4f 32 2f 63 31 2d 31 33 28 31 35 2d 32 29 39 28 31 | I=1S/C9H10Cl2N2O2/c1-13(15-2)9(1 |
96480 | 34 29 31 32 2d 36 2d 33 2d 34 2d 37 28 31 30 29 38 28 31 31 29 35 2d 36 2f 68 33 2d 35 48 2c 31 | 4)12-6-3-4-7(10)8(11)5-6/h3-5H,1 |
964a0 | 2d 32 48 33 2c 28 48 2c 31 32 2c 31 34 29 00 00 4a 02 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed | -2H3,(H,12,14)..J...._id.V.$8+r. |
964c0 | 30 fb 00 00 93 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | 0.....warnings.......fingerprint |
964e0 | 73 00 6c 01 00 00 04 4d 50 32 44 00 61 01 00 00 02 30 00 18 00 00 00 31 38 3b 31 2d 31 2d 33 3b | s.l....MP2D.a....0.....18;1-1-3; |
96500 | 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 31 00 1e 00 00 00 33 3b 31 2d 31 2d 31 31 3b 31 | 2-1-11;2-1-18;..1.....3;1-1-11;1 |
96520 | 2d 32 2d 31 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 32 00 1e 00 00 00 31 38 3b 31 2d | -2-18;2-2-3;2-1-13;..2.....18;1- |
96540 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 33 00 1d 00 00 00 | 2-3;2-2-3;2-1-11;2-1-18;..3..... |
96560 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 38 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 34 00 | 3;1-2-3;1-1-18;2-3-3;2-1-11;..4. |
96580 | 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 33 3b | $...3;1-2-3;1-1-11;2-3-3;2-1-13; |
965a0 | 32 2d 31 2d 31 38 3b 00 02 35 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 | 2-1-18;..5.....11;1-2-3;1-1-13;2 |
965c0 | 2d 32 2d 33 3b 32 2d 32 2d 31 38 3b 00 02 36 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d | -2-3;2-2-18;..6.....13;1-1-11;2- |
965e0 | 32 2d 33 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 | 2-3;..7.....3;1-2-3;2-2-3;2-1-11 |
96600 | 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 33 | ;..8.....3;1-2-3;2-2-3;..9.....3 |
96620 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;1-2-3;2-2-3;..10.....3;1-2-3;2- |
96640 | 32 2d 33 3b 32 2d 31 2d 31 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 15 00 00 00 53 3d 63 31 73 63 | 2-3;2-1-18;....smiles.....S=c1sc |
96660 | 32 63 28 5b 6e 48 5d 31 29 63 63 63 63 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 21 89 7d 46 50 | 2c([nH]1)cccc2..updated_at.!.}FP |
96680 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 cf 7c 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at..|}FP....default_ |
966a0 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 39 00 00 00 | fingerprint_size......inchi.9... |
966c0 | 49 6e 43 68 49 3d 31 53 2f 43 37 48 35 4e 53 32 2f 63 39 2d 37 2d 38 2d 35 2d 33 2d 31 2d 32 2d | InChI=1S/C7H5NS2/c9-7-8-5-3-1-2- |
966e0 | 34 2d 36 28 35 29 31 30 2d 37 2f 68 31 2d 34 48 2c 28 48 2c 38 2c 39 29 00 00 85 03 00 00 07 5f | 4-6(5)10-7/h1-4H,(H,8,9)......._ |
96700 | 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 94 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V.$8+r.0.....warnings.......f |
96720 | 69 6e 67 65 72 70 72 69 6e 74 73 00 7d 02 00 00 04 4d 50 32 44 00 72 02 00 00 02 30 00 0f 00 00 | ingerprints.}....MP2D.r....0.... |
96740 | 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | .1;1-1-1;2-1-8;..1.....1;1-1-1;1 |
96760 | 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 32 00 23 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -1-8;2-1-12;..2.#...8;1-1-1;1-1- |
96780 | 31 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 33 00 1d 00 00 00 31 32 | 12;2-1-1;2-2-8;2-1-18;..3.....12 |
967a0 | 3b 31 2d 33 2d 38 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 34 00 11 00 | ;1-3-8;1-1-18;2-2-1;2-1-3;..4... |
967c0 | 00 00 31 38 3b 31 2d 31 2d 31 32 3b 32 2d 33 2d 38 3b 00 02 35 00 2a 00 00 00 38 3b 31 2d 31 2d | ..18;1-1-12;2-3-8;..5.*...8;1-1- |
967e0 | 33 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 33 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d | 3;1-1-12;2-1-3;2-2-8;2-1-11;2-1- |
96800 | 31 38 3b 00 02 36 00 2a 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 31 3b | 18;..6.*...3;1-1-3;1-1-8;1-1-11; |
96820 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 32 3b 32 2d 31 2d 31 35 3b 00 02 37 00 1d 00 00 00 31 31 3b 31 | 2-2-3;2-1-12;2-1-15;..7.....11;1 |
96840 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 35 3b 00 02 38 00 24 00 00 00 | -2-3;2-2-3;2-1-8;2-1-15;..8.$... |
96860 | 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 3;1-1-3;1-1-11;1-1-15;2-2-3;2-1- |
96880 | 31 35 3b 00 02 39 00 17 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 | 15;..9.....15;1-1-3;2-1-3;2-1-11 |
968a0 | 3b 00 02 31 30 00 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 33 3b 32 | ;..10.$...3;1-2-3;1-1-15;2-1-3;2 |
968c0 | 2d 31 2d 31 31 3b 32 2d 31 2d 31 35 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | -1-11;2-1-15;..11.....3;1-2-3;2- |
968e0 | 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 31 32 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 2-3;2-2-15;..12.#...3;1-2-3;1-1- |
96900 | 31 35 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 31 33 00 10 00 00 00 31 | 15;2-1-3;2-1-8;2-1-11;..13.....1 |
96920 | 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b | 5;1-1-3;2-2-3;..14.....15;1-1-3; |
96940 | 32 2d 32 2d 33 3b 00 02 31 35 00 23 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d | 2-2-3;..15.#...8;1-1-1;1-1-12;2- |
96960 | 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 31 36 00 16 00 00 00 31 3b 31 2d 31 2d | 1-1;2-2-8;2-1-18;..16.....1;1-1- |
96980 | 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 37 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b | 1;1-1-8;2-1-12;..17.....1;1-1-1; |
969a0 | 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 21 00 00 00 43 43 4f 50 28 3d 53 29 28 4f 63 | 2-1-8;....smiles.!...CCOP(=S)(Oc |
969c0 | 31 6e 63 28 43 6c 29 63 28 63 63 31 43 6c 29 43 6c 29 4f 43 43 00 09 75 70 64 61 74 65 64 5f 61 | 1nc(Cl)c(cc1Cl)Cl)OCC..updated_a |
969e0 | 74 00 1b 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d5 7c 7d 46 50 01 00 00 10 64 | t...}FP....created_at..|}FP....d |
96a00 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 | efault_fingerprint_size......inc |
96a20 | 68 69 00 57 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 31 43 6c 33 4e 4f 33 50 53 2f 63 31 | hi.W...InChI=1S/C9H11Cl3NO3PS/c1 |
96a40 | 2d 33 2d 31 34 2d 31 37 28 31 38 2c 31 35 2d 34 2d 32 29 31 36 2d 39 2d 37 28 31 31 29 35 2d 36 | -3-14-17(18,15-4-2)16-9-7(11)5-6 |
96a60 | 28 31 30 29 38 28 31 32 29 31 33 2d 39 2f 68 35 48 2c 33 2d 34 48 32 2c 31 2d 32 48 33 00 00 9a | (10)8(12)13-9/h5H,3-4H2,1-2H3... |
96a80 | 03 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 95 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V.$8+r.0.....warnings... |
96aa0 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 81 02 00 00 04 4d 50 32 44 00 76 02 00 00 02 | ....fingerprints......MP2D.v.... |
96ac0 | 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 38 3b 31 2d | 0.....1;1-1-8;2-1-3;..1.....8;1- |
96ae0 | 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b | 1-1;1-1-3;2-2-3;..2.....3;1-2-3; |
96b00 | 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d | 1-1-8;2-1-1;2-2-3;..3.....3;1-2- |
96b20 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 3;2-2-3;2-1-8;..4.....3;1-2-3;2- |
96b40 | 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b | 1-1;2-2-3;..5.....3;1-1-1;1-2-3; |
96b60 | 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 2-1-1;2-3-3;..6.....3;1-2-3;2-1- |
96b80 | 31 3b 32 2d 32 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | 1;2-2-3;..7.....3;1-2-3;2-2-3;2- |
96ba0 | 31 2d 38 3b 00 02 38 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b | 1-8;..8.....1;1-1-1;1-2-3;2-4-3; |
96bc0 | 32 2d 33 2d 31 35 3b 00 02 39 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 33 2d 31 35 3b 32 2d | 2-3-15;..9.....1;1-1-1;1-3-15;2- |
96be0 | 32 2d 33 3b 00 02 31 30 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d | 2-3;..10.....15;1-1-1;2-1-1;2-2- |
96c00 | 31 35 3b 00 02 31 31 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 | 15;..11.....15;1-1-1;2-1-1;2-2-1 |
96c20 | 35 3b 00 02 31 32 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 35 | 5;..12.....15;1-1-1;2-1-1;2-2-15 |
96c40 | 3b 00 02 31 33 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | ;..13.....3;1-1-1;1-2-3;2-1-1;2- |
96c60 | 33 2d 33 3b 00 02 31 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | 3-3;..14.....3;1-2-3;2-1-1;2-2-3 |
96c80 | 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 | ;..15.....3;1-2-3;2-2-3;2-1-8;.. |
96ca0 | 31 36 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | 16.....3;1-2-3;1-1-8;2-1-1;2-2-3 |
96cc0 | 3b 00 02 31 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 | ;..17.....3;1-2-3;2-2-3;2-1-8;.. |
96ce0 | 31 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 39 00 | 18.....3;1-2-3;2-1-1;2-2-3;..19. |
96d00 | 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 30 00 0f 00 00 | ....8;1-1-1;1-1-3;2-2-3;..20.... |
96d20 | 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 27 00 00 00 43 4f | .1;1-1-8;2-1-3;....smiles.'...CO |
96d40 | 63 31 63 63 63 28 63 63 31 29 43 28 43 28 43 6c 29 28 43 6c 29 43 6c 29 63 31 63 63 63 28 63 63 | c1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc |
96d60 | 31 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 27 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 | 1)OC..updated_at.'.}FP....create |
96d80 | 64 5f 61 74 00 e1 7c 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at..|}FP....default_fingerprin |
96da0 | 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 62 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.b...InChI=1S/C |
96dc0 | 31 36 48 31 35 43 6c 33 4f 32 2f 63 31 2d 32 30 2d 31 33 2d 37 2d 33 2d 31 31 28 34 2d 38 2d 31 | 16H15Cl3O2/c1-20-13-7-3-11(4-8-1 |
96de0 | 33 29 31 35 28 31 36 28 31 37 2c 31 38 29 31 39 29 31 32 2d 35 2d 39 2d 31 34 28 32 31 2d 32 29 | 3)15(16(17,18)19)12-5-9-14(21-2) |
96e00 | 31 30 2d 36 2d 31 32 2f 68 33 2d 31 30 2c 31 35 48 2c 31 2d 32 48 33 00 00 c3 02 00 00 07 5f 69 | 10-6-12/h3-10,15H,1-2H3......._i |
96e20 | 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 96 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V.$8+r.0.....warnings.......fi |
96e40 | 6e 67 65 72 70 72 69 6e 74 73 00 cb 01 00 00 04 4d 50 32 44 00 c0 01 00 00 02 30 00 15 00 00 00 | ngerprints......MP2D......0..... |
96e60 | 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 31 3b 31 2d | 1;1-1-1;2-1-1;2-1-8;..1.....1;1- |
96e80 | 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 32 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b | 2-1;1-1-8;2-1-2;..2."...8;1-1-1; |
96ea0 | 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 33 00 22 00 00 | 1-1-2;2-2-1;2-1-9;2-1-28;..3.".. |
96ec0 | 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d | .2;1-1-8;1-1-9;1-1-28;2-1-1;2-1- |
96ee0 | 33 3b 00 02 34 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 | 3;..4.....9;1-1-2;2-1-8;2-1-28;. |
96f00 | 02 35 00 22 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | .5."...28;1-1-2;1-1-3;2-2-3;2-1- |
96f20 | 38 3b 32 2d 31 2d 39 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 | 8;2-1-9;..6.....3;1-2-3;1-1-28;2 |
96f40 | 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -1-2;2-2-3;..7.....3;1-2-3;2-2-3 |
96f60 | 3b 32 2d 31 2d 32 38 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 | ;2-1-28;..8.....3;1-2-3;2-2-3;.. |
96f80 | 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 30 00 | 9.....3;1-2-3;2-2-3;2-1-15;..10. |
96fa0 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 31 31 00 1d 00 | ....3;1-2-3;1-1-15;2-2-3;..11... |
96fc0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 02 | ..3;1-2-3;2-2-3;2-1-15;2-1-28;.. |
96fe0 | 31 32 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 15 00 00 00 31 | 12.....15;1-1-3;2-2-3;..13.....1 |
97000 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 19 00 | ;1-1-1;2-1-1;2-1-8;....smiles... |
97020 | 00 00 43 43 28 4f 43 28 3d 4f 29 4e 63 31 63 63 63 63 28 63 31 29 43 6c 29 43 00 09 75 70 64 61 | ..CC(OC(=O)Nc1cccc(c1)Cl)C..upda |
97040 | 74 65 64 5f 61 74 00 3a 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 eb 7c 7d 46 50 | ted_at.:.}FP....created_at..|}FP |
97060 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
97080 | 00 02 69 6e 63 68 69 00 4f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 32 43 6c 4e 4f 32 | ..inchi.O...InChI=1S/C10H12ClNO2 |
970a0 | 2f 63 31 2d 37 28 32 29 31 34 2d 31 30 28 31 33 29 31 32 2d 39 2d 35 2d 33 2d 34 2d 38 28 31 31 | /c1-7(2)14-10(13)12-9-5-3-4-8(11 |
970c0 | 29 36 2d 39 2f 68 33 2d 37 48 2c 31 2d 32 48 33 2c 28 48 2c 31 32 2c 31 33 29 00 00 34 03 00 00 | )6-9/h3-7H,1-2H3,(H,12,13)..4... |
970e0 | 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 97 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V.$8+r.0.....warnings...... |
97100 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 3c 02 00 00 04 4d 50 32 44 00 31 02 00 00 02 30 00 10 | .fingerprints.<....MP2D.1....0.. |
97120 | 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 00 02 31 00 1d 00 00 00 32 38 3b 31 2d 31 | ...1;1-1-28;2-1-2;..1.....28;1-1 |
97140 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 32 00 1c 00 00 00 32 3b | -1;1-1-2;2-1-9;2-1-28;..2.....2; |
97160 | 31 2d 31 2d 39 3b 31 2d 32 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 00 10 00 00 | 1-1-9;1-2-28;2-2-1;2-1-3;..3.... |
97180 | 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 34 00 31 00 00 00 32 38 3b 31 2d 31 2d 31 | .9;1-1-2;2-2-28;..4.1...28;1-1-1 |
971a0 | 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 | ;1-1-2;1-1-3;2-1-9;2-1-11;2-1-18 |
971c0 | 3b 32 2d 31 2d 32 38 3b 00 02 35 00 31 00 00 00 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 38 3b | ;2-1-28;..5.1...3;1-1-11;1-1-18; |
971e0 | 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b | 1-1-28;2-1-1;2-1-2;2-1-3;2-1-11; |
97200 | 00 02 36 00 25 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d | ..6.%...11;1-1-3;1-1-11;2-1-3;2- |
97220 | 31 2d 31 38 3b 32 2d 31 2d 32 38 3b 00 02 37 00 24 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 | 1-18;2-1-28;..7.$...11;1-1-3;1-1 |
97240 | 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 38 00 2a 00 00 00 33 | -11;2-1-1;2-1-3;2-1-18;..8.*...3 |
97260 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 33 | ;1-1-1;1-1-11;1-1-18;2-3-1;2-1-3 |
97280 | 3b 32 2d 31 2d 31 31 3b 00 02 39 00 1e 00 00 00 31 38 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 | ;2-1-11;..9.....18;1-2-3;2-1-1;2 |
972a0 | 2d 32 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 1d 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d | -2-11;2-1-28;..10.....1;1-3-1;1- |
972c0 | 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 31 31 00 15 00 00 00 31 3b 31 2d 31 | 1-3;2-1-11;2-1-18;..11.....1;1-1 |
972e0 | 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 32 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b | -1;2-2-1;2-1-3;..12.....1;1-1-1; |
97300 | 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 33 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 | 2-2-1;2-1-3;..13.....1;1-1-1;2-2 |
97320 | 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 34 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 | -1;2-1-3;..14.....1;1-1-28;2-1-2 |
97340 | 3b 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1d 00 00 00 43 4e 43 28 3d 4f 29 4e 28 63 | ;2-1-3;....smiles.....CNC(=O)N(c |
97360 | 31 6e 6e 63 28 73 31 29 43 28 43 29 28 43 29 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 2e | 1nnc(s1)C(C)(C)C)C..updated_at.. |
97380 | 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f8 7c 7d 46 50 01 00 00 10 64 65 66 61 | .}FP....created_at..|}FP....defa |
973a0 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 | ult_fingerprint_size......inchi. |
973c0 | 4b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 36 4e 34 4f 53 2f 63 31 2d 39 28 32 2c 33 29 | K...InChI=1S/C9H16N4OS/c1-9(2,3) |
973e0 | 36 2d 31 31 2d 31 32 2d 38 28 31 35 2d 36 29 31 33 28 35 29 37 28 31 34 29 31 30 2d 34 2f 68 31 | 6-11-12-8(15-6)13(5)7(14)10-4/h1 |
97400 | 2d 35 48 33 2c 28 48 2c 31 30 2c 31 34 29 00 00 c2 02 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed | -5H3,(H,10,14)......._id.V.$8+r. |
97420 | 30 fb 00 00 98 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | 0.....warnings.......fingerprint |
97440 | 73 00 cd 01 00 00 04 4d 50 32 44 00 c2 01 00 00 02 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b | s......MP2D......0.....32;1-1-2; |
97460 | 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 31 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 | 2-1-1;2-1-32;..1.....2;1-1-1;1-2 |
97480 | 2d 33 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 | -32;2-1-1;2-1-8;..2.....32;1-1-2 |
974a0 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 33 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | ;2-1-1;2-1-32;..3."...1;1-1-1;1- |
974c0 | 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 32 2d 32 2d 33 32 3b 00 02 34 00 21 00 00 00 38 | 1-2;1-1-8;2-1-3;2-2-32;..4.!...8 |
974e0 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 | ;1-1-1;1-1-3;2-1-1;2-1-2;2-2-3;. |
97500 | 02 35 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | .5."...3;1-2-3;1-1-8;2-1-1;2-2-3 |
97520 | 3b 32 2d 31 2d 31 35 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | ;2-1-15;..6.....3;1-2-3;2-2-3;2- |
97540 | 31 2d 38 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 | 1-8;..7.....3;1-2-3;2-2-3;2-1-15 |
97560 | 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 | ;..8.....3;1-2-3;1-1-15;2-2-3;.. |
97580 | 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 31 30 00 | 9.....3;1-2-3;2-2-3;2-2-15;..10. |
975a0 | 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 | ....3;1-2-3;1-1-15;2-2-3;2-1-8;. |
975c0 | 02 31 31 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 10 00 00 00 | .11.....15;1-1-3;2-2-3;..12..... |
975e0 | 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b | 15;1-1-3;2-2-3;..13.....1;1-1-1; |
97600 | 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 1a 00 00 00 4f 43 28 3d 4f | 2-1-2;2-1-8;....smiles.....OC(=O |
97620 | 29 43 28 4f 63 31 63 63 63 28 63 63 31 43 6c 29 43 6c 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 | )C(Oc1ccc(cc1Cl)Cl)C..updated_at |
97640 | 00 30 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 03 7d 7d 46 50 01 00 00 10 64 65 | .0.}FP....created_at..}}FP....de |
97660 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 | fault_fingerprint_size......inch |
97680 | 69 00 4b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 38 43 6c 32 4f 33 2f 63 31 2d 35 28 39 28 | i.K...InChI=1S/C9H8Cl2O3/c1-5(9( |
976a0 | 31 32 29 31 33 29 31 34 2d 38 2d 33 2d 32 2d 36 28 31 30 29 34 2d 37 28 38 29 31 31 2f 68 32 2d | 12)13)14-8-3-2-6(10)4-7(8)11/h2- |
976c0 | 35 48 2c 31 48 33 2c 28 48 2c 31 32 2c 31 33 29 00 00 e1 04 00 00 07 5f 69 64 00 56 16 24 38 2b | 5H,1H3,(H,12,13)......._id.V.$8+ |
976e0 | 72 ed 30 fb 00 00 99 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.0.....warnings.......fingerpri |
97700 | 6e 74 73 00 95 03 00 00 04 4d 50 32 44 00 8a 03 00 00 02 30 00 0f 00 00 00 37 3b 31 2d 31 2d 34 | nts......MP2D......0.....7;1-1-4 |
97720 | 3b 32 2d 31 2d 31 3b 00 02 31 00 1b 00 00 00 34 3b 31 2d 31 2d 31 3b 31 2d 31 2d 37 3b 32 2d 31 | ;2-1-1;..1.....4;1-1-1;1-1-7;2-1 |
97740 | 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 00 27 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 34 3b 31 | -3;2-1-8;..2.'...1;1-1-3;1-1-4;1 |
97760 | 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 37 3b 00 02 33 00 21 00 00 00 33 | -1-8;2-1-2;2-2-3;2-1-7;..3.!...3 |
97780 | 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 34 3b 32 2d 31 2d 38 3b 00 | ;1-1-1;1-2-3;2-2-3;2-1-4;2-1-8;. |
977a0 | 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 16 | .4.....3;1-2-3;2-1-1;2-2-3;..5.. |
977c0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 36 00 1c 00 00 00 | ...3;1-2-3;2-2-3;2-1-16;..6..... |
977e0 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 1c | 3;1-2-3;1-1-16;2-2-3;2-1-8;..7.. |
97800 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 | ...3;1-2-3;1-1-8;2-3-3;2-1-16;.. |
97820 | 38 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b | 8.....3;1-2-3;2-1-1;2-2-3;2-1-8; |
97840 | 00 02 39 00 0f 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 30 00 15 00 00 00 33 | ..9.....8;1-2-3;2-4-3;..10.....3 |
97860 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d | ;1-2-3;1-1-8;2-3-3;..11.....3;1- |
97880 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-2-3;2-1-8;..12.....3;1-2-3 |
978a0 | 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 | ;2-2-3;..13.....3;1-2-3;2-2-3;.. |
978c0 | 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 15 00 00 00 33 3b | 14.....3;1-2-3;2-2-3;..15.....3; |
978e0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 36 00 10 00 00 00 31 36 3b 31 2d | 1-2-3;2-2-3;2-1-8;..16.....16;1- |
97900 | 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 37 00 27 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | 1-3;2-2-3;..17.'...8;1-1-1;1-1-2 |
97920 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 34 3b 32 2d 31 2d 39 3b 00 02 31 38 00 1b 00 | ;2-1-1;2-1-3;2-1-4;2-1-9;..18... |
97940 | 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b 00 02 31 39 | ..2;1-1-1;1-1-8;1-1-9;2-3-1;..19 |
97960 | 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 30 00 27 00 | .....9;1-1-2;2-1-1;2-1-8;..20.'. |
97980 | 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d | ..1;1-2-1;1-1-2;2-4-1;2-1-2;2-1- |
979a0 | 38 3b 32 2d 31 2d 39 3b 00 02 32 31 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 | 8;2-1-9;..21.....1;1-2-1;1-1-2;2 |
979c0 | 2d 34 2d 31 3b 32 2d 32 2d 32 3b 00 02 32 32 00 15 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 32 2d | -4-1;2-2-2;..22.....1;1-4-1;2-2- |
979e0 | 31 3b 32 2d 32 2d 32 3b 00 02 32 33 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 | 1;2-2-2;..23.....1;1-1-1;2-3-1;. |
97a00 | 02 32 34 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 32 35 00 1c 00 00 00 32 | .24.....1;1-1-1;2-3-1;..25.....2 |
97a20 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 32 36 00 16 | ;1-1-1;1-1-2;2-2-1;2-2-15;..26.. |
97a40 | 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 32 2d 31 35 3b 32 2d 31 2d 31 3b 00 02 32 37 00 17 00 00 | ...2;1-1-2;1-2-15;2-1-1;..27.... |
97a60 | 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 32 38 00 17 00 00 00 | .15;1-1-2;2-1-2;2-1-15;..28..... |
97a80 | 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 00 00 02 73 6d 69 6c 65 73 | 15;1-1-2;2-1-2;2-1-15;....smiles |
97aa0 | 00 37 00 00 00 4e 23 43 43 28 63 31 63 63 63 28 63 28 63 31 29 4f 63 31 63 63 63 63 63 31 29 46 | .7...N#CC(c1ccc(c(c1)Oc1ccccc1)F |
97ac0 | 29 4f 43 28 3d 4f 29 43 31 43 28 43 31 28 43 29 43 29 43 3d 43 28 43 6c 29 43 6c 00 09 75 70 64 | )OC(=O)C1C(C1(C)C)C=C(Cl)Cl..upd |
97ae0 | 61 74 65 64 5f 61 74 00 e6 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 0c 7d 7d 46 | ated_at...}FP....created_at..}}F |
97b00 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
97b20 | 00 00 02 69 6e 63 68 69 00 85 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 32 48 31 38 43 6c 32 46 | ...inchi.....InChI=1S/C22H18Cl2F |
97b40 | 4e 4f 33 2f 63 31 2d 32 32 28 32 29 31 35 28 31 31 2d 31 39 28 32 33 29 32 34 29 32 30 28 32 32 | NO3/c1-22(2)15(11-19(23)24)20(22 |
97b60 | 29 32 31 28 32 37 29 32 39 2d 31 38 28 31 32 2d 32 36 29 31 33 2d 38 2d 39 2d 31 36 28 32 35 29 | )21(27)29-18(12-26)13-8-9-16(25) |
97b80 | 31 37 28 31 30 2d 31 33 29 32 38 2d 31 34 2d 36 2d 34 2d 33 2d 35 2d 37 2d 31 34 2f 68 33 2d 31 | 17(10-13)28-14-6-4-3-5-7-14/h3-1 |
97ba0 | 31 2c 31 35 2c 31 38 2c 32 30 48 2c 31 2d 32 48 33 00 00 81 03 00 00 07 5f 69 64 00 56 16 24 38 | 1,15,18,20H,1-2H3......._id.V.$8 |
97bc0 | 2b 72 ed 30 fb 00 00 9a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.0.....warnings.......fingerpr |
97be0 | 69 6e 74 73 00 70 02 00 00 04 4d 50 32 44 00 65 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d | ints.p....MP2D.e....0.....1;1-1- |
97c00 | 38 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 | 8;2-1-1;..1.....8;1-2-1;2-1-1;.. |
97c20 | 32 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 38 | 2.....1;1-1-1;1-1-8;2-2-1;2-1-28 |
97c40 | 3b 00 02 33 00 22 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d | ;..3."...1;1-2-1;1-1-28;2-1-2;2- |
97c60 | 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 28 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | 1-3;2-1-8;..4.(...28;1-1-1;1-1-2 |
97c80 | 3b 31 2d 31 2d 33 3b 32 2d 33 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 35 00 22 00 00 | ;1-1-3;2-3-1;2-2-3;2-1-9;..5.".. |
97ca0 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d | .3;1-2-3;1-1-28;2-3-1;2-1-2;2-2- |
97cc0 | 33 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | 3;..6.....3;1-1-1;1-2-3;2-2-3;2- |
97ce0 | 31 2d 32 38 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 15 | 1-28;..7.....1;1-1-3;2-2-3;..8.. |
97d00 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 33 | ...3;1-2-3;2-1-1;2-2-3;..9.....3 |
97d20 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;1-2-3;2-2-3;..10.....3;1-2-3;2- |
97d40 | 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 | 1-1;2-2-3;..11."...3;1-1-1;1-2-3 |
97d60 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 15 00 00 00 31 3b 31 | ;2-1-1;2-2-3;2-1-28;..12.....1;1 |
97d80 | 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 31 3b 31 2d 31 2d | -1-1;1-1-3;2-2-3;..13.....1;1-1- |
97da0 | 31 3b 32 2d 31 2d 33 3b 00 02 31 34 00 29 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 | 1;2-1-3;..14.)...2;1-1-1;1-1-9;1 |
97dc0 | 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 35 00 16 00 | -1-28;2-1-1;2-1-3;2-1-15;..15... |
97de0 | 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 36 00 1d 00 00 00 | ..9;1-1-2;2-1-1;2-1-28;..16..... |
97e00 | 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 37 | 1;1-1-2;1-1-15;2-1-9;2-1-28;..17 |
97e20 | 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 38 00 16 00 00 00 31 3b 31 | .....15;1-1-1;2-1-2;..18.....1;1 |
97e40 | 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 20 00 00 | -1-1;2-1-1;2-1-28;....smiles.... |
97e60 | 00 43 4f 43 43 28 4e 28 63 31 63 28 43 29 63 63 63 63 31 43 43 29 43 28 3d 4f 29 43 43 6c 29 43 | .COCC(N(c1c(C)cccc1CC)C(=O)CCl)C |
97e80 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 36 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.6.}FP....created_at |
97ea0 | 00 31 7d 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | .1}}FP....default_fingerprint_si |
97ec0 | 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 61 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 32 | ze......inchi.a...InChI=1S/C15H2 |
97ee0 | 32 43 6c 4e 4f 32 2f 63 31 2d 35 2d 31 33 2d 38 2d 36 2d 37 2d 31 31 28 32 29 31 35 28 31 33 29 | 2ClNO2/c1-5-13-8-6-7-11(2)15(13) |
97f00 | 31 37 28 31 34 28 31 38 29 39 2d 31 36 29 31 32 28 33 29 31 30 2d 31 39 2d 34 2f 68 36 2d 38 2c | 17(14(18)9-16)12(3)10-19-4/h6-8, |
97f20 | 31 32 48 2c 35 2c 39 2d 31 30 48 32 2c 31 2d 34 48 33 00 00 8d 02 00 00 07 5f 69 64 00 56 16 24 | 12H,5,9-10H2,1-4H3......._id.V.$ |
97f40 | 38 2b 72 ed 30 fb 00 00 9b 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | 8+r.0.....warnings.......fingerp |
97f60 | 72 69 6e 74 73 00 9e 01 00 00 04 4d 50 32 44 00 93 01 00 00 02 30 00 17 00 00 00 33 32 3b 31 2d | rints......MP2D......0.....32;1- |
97f80 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 31 00 16 00 00 00 32 3b 31 2d 31 2d 31 | 1-2;2-1-1;2-1-32;..1.....2;1-1-1 |
97fa0 | 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d 38 3b 00 02 32 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 | ;1-2-32;2-1-8;..2.....32;1-1-2;2 |
97fc0 | 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 33 00 1c 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d | -1-1;2-1-32;..3.....1;1-1-2;1-1- |
97fe0 | 38 3b 32 2d 31 2d 33 3b 32 2d 32 2d 33 32 3b 00 02 34 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 | 8;2-1-3;2-2-32;..4.....8;1-1-1;1 |
98000 | 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 35 00 22 00 00 00 33 3b 31 2d 32 2d 33 | -1-3;2-1-2;2-2-3;..5."...3;1-2-3 |
98020 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 36 00 15 00 | ;1-1-8;2-1-1;2-2-3;2-1-15;..6... |
98040 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 16 00 00 00 33 3b | ..3;1-2-3;2-2-3;2-1-8;..7.....3; |
98060 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 | 1-2-3;2-2-3;2-1-15;..8.....3;1-2 |
98080 | 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;1-1-15;2-2-3;..9.....3;1-2-3; |
980a0 | 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 2-2-3;2-2-15;..10.....3;1-2-3;1- |
980c0 | 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 31 00 10 00 00 00 31 35 3b 31 2d 31 | 1-15;2-2-3;2-1-8;..11.....15;1-1 |
980e0 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | -3;2-2-3;..12.....15;1-1-3;2-2-3 |
98100 | 3b 00 00 00 02 73 6d 69 6c 65 73 00 17 00 00 00 4f 43 28 3d 4f 29 43 4f 63 31 63 63 63 28 63 63 | ;....smiles.....OC(=O)COc1ccc(cc |
98120 | 31 43 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 38 89 7d 46 50 01 00 00 09 63 72 65 61 | 1Cl)Cl..updated_at.8.}FP....crea |
98140 | 74 65 64 5f 61 74 00 37 7d 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at.7}}FP....default_fingerpr |
98160 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 48 00 00 00 49 6e 43 68 49 3d 31 53 | int_size......inchi.H...InChI=1S |
98180 | 2f 43 38 48 36 43 6c 32 4f 33 2f 63 39 2d 35 2d 31 2d 32 2d 37 28 36 28 31 30 29 33 2d 35 29 31 | /C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)1 |
981a0 | 33 2d 34 2d 38 28 31 31 29 31 32 2f 68 31 2d 33 48 2c 34 48 32 2c 28 48 2c 31 31 2c 31 32 29 00 | 3-4-8(11)12/h1-3H,4H2,(H,11,12). |
981c0 | 00 32 03 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 9c 04 77 61 72 6e 69 6e 67 73 00 | .2...._id.V.$8+r.0.....warnings. |
981e0 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 29 02 00 00 04 4d 50 32 44 00 1e 02 00 | ......fingerprints.)....MP2D.... |
98200 | 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 00 16 00 00 00 31 | ..0.....1;1-1-1;2-1-19;..1.....1 |
98220 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 00 02 32 00 1d 00 00 00 31 39 3b 31 | ;1-1-1;1-1-19;2-1-3;..2.....19;1 |
98240 | 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 31 3b 00 02 33 00 1d 00 00 00 | -1-1;1-1-3;2-1-1;2-2-11;..3..... |
98260 | 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 | 3;1-2-11;1-1-19;2-1-1;2-2-3;..4. |
98280 | 18 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 32 2d 32 2d 31 39 3b 00 02 35 00 1d | ....11;1-2-3;2-2-11;2-2-19;..5.. |
982a0 | 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | ...3;1-2-11;1-1-19;2-1-1;2-2-3;. |
982c0 | 02 36 00 1f 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 31 35 3b 32 2d | .6.....11;1-2-3;2-2-11;2-1-15;2- |
982e0 | 31 2d 31 39 3b 00 02 37 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 35 3b 32 2d 32 | 1-19;..7.....3;1-2-11;1-1-15;2-2 |
98300 | 2d 33 3b 00 02 38 00 1f 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 31 | -3;..8.....11;1-2-3;2-2-11;2-1-1 |
98320 | 35 3b 32 2d 31 2d 31 39 3b 00 02 39 00 11 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 | 5;2-1-19;..9.....15;1-1-3;2-2-11 |
98340 | 3b 00 02 31 30 00 23 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 | ;..10.#...19;1-1-1;1-1-3;2-2-1;2 |
98360 | 2d 31 2d 34 3b 32 2d 32 2d 31 31 3b 00 02 31 31 00 22 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 | -1-4;2-2-11;..11."...1;1-2-1;1-1 |
98380 | 2d 34 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 37 3b 00 02 31 32 00 1c 00 00 00 34 | -4;1-1-19;2-1-3;2-1-7;..12.....4 |
983a0 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 37 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 0f | ;1-1-1;1-1-7;2-2-1;2-1-19;..13.. |
983c0 | 00 00 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 2d 31 3b 00 02 31 34 00 1c 00 00 00 31 3b 31 2d 31 2d | ...7;1-1-4;2-1-1;..14.....1;1-1- |
983e0 | 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 34 3b 32 2d 31 2d 31 39 3b 00 02 31 35 00 1c 00 00 00 31 3b | 1;2-1-1;2-1-4;2-1-19;..15.....1; |
98400 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 34 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 | 1-1-1;2-1-1;2-1-4;2-1-19;....smi |
98420 | 6c 65 73 00 1d 00 00 00 43 43 4e 63 31 6e 63 28 6e 63 28 6e 31 29 43 6c 29 4e 43 28 43 23 4e 29 | les.....CCNc1nc(nc(n1)Cl)NC(C#N) |
98440 | 28 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 3b 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 | (C)C..updated_at.;.}FP....create |
98460 | 64 5f 61 74 00 3d 7d 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.=}}FP....default_fingerprin |
98480 | 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 5c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.\...InChI=1S/C |
984a0 | 39 48 31 33 43 6c 4e 36 2f 63 31 2d 34 2d 31 32 2d 37 2d 31 33 2d 36 28 31 30 29 31 34 2d 38 28 | 9H13ClN6/c1-4-12-7-13-6(10)14-8( |
984c0 | 31 35 2d 37 29 31 36 2d 39 28 32 2c 33 29 35 2d 31 31 2f 68 34 48 32 2c 31 2d 33 48 33 2c 28 48 | 15-7)16-9(2,3)5-11/h4H2,1-3H3,(H |
984e0 | 32 2c 31 32 2c 31 33 2c 31 34 2c 31 35 2c 31 36 29 00 00 06 03 00 00 07 5f 69 64 00 56 16 24 38 | 2,12,13,14,15,16)......._id.V.$8 |
98500 | 2b 72 ed 30 fb 00 00 9d 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.0.....warnings.......fingerpr |
98520 | 69 6e 74 73 00 0c 02 00 00 04 4d 50 32 44 00 01 02 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d | ints......MP2D......0.....1;1-1- |
98540 | 38 3b 32 2d 31 2d 31 32 3b 00 02 31 00 1d 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b | 8;2-1-12;..1.....8;1-1-1;1-1-12; |
98560 | 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 32 00 1d 00 00 00 31 32 3b 31 2d 33 2d 38 3b 31 2d | 2-2-8;2-1-18;..2.....12;1-3-8;1- |
98580 | 31 2d 31 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 00 11 00 00 00 31 38 3b 31 2d 31 2d | 1-18;2-2-1;2-1-3;..3.....18;1-1- |
985a0 | 31 32 3b 32 2d 33 2d 38 3b 00 02 34 00 23 00 00 00 38 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 32 3b | 12;2-3-8;..4.#...8;1-1-3;1-1-12; |
985c0 | 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 35 00 23 00 00 00 33 3b 31 2d 32 | 2-2-3;2-2-8;2-1-18;..5.#...3;1-2 |
985e0 | 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 32 3b 32 2d 31 2d 31 35 3b 00 02 36 | -3;1-1-8;2-2-3;2-1-12;2-1-15;..6 |
98600 | 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 35 3b | .....3;1-2-3;2-2-3;2-1-8;2-1-15; |
98620 | 00 02 37 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 | ..7.....3;1-2-3;1-1-15;2-2-3;2-1 |
98640 | 2d 31 35 3b 00 02 38 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 1d | -15;..8.....15;1-1-3;2-2-3;..9.. |
98660 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 | ...3;1-2-3;1-1-15;2-2-3;2-1-15;. |
98680 | 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 31 | .10.....3;1-2-3;2-2-3;2-2-15;..1 |
986a0 | 31 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 | 1.....3;1-2-3;1-1-15;2-2-3;2-1-8 |
986c0 | 3b 00 02 31 32 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 10 00 | ;..12.....15;1-1-3;2-2-3;..13... |
986e0 | 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 1d 00 00 00 38 3b 31 2d 31 2d | ..15;1-1-3;2-2-3;..14.....8;1-1- |
98700 | 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 31 35 00 10 00 00 00 31 | 1;1-1-12;2-2-8;2-1-18;..15.....1 |
98720 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 1f 00 00 00 43 4f 50 | ;1-1-8;2-1-12;....smiles.....COP |
98740 | 28 3d 53 29 28 4f 63 31 63 63 28 43 6c 29 63 28 63 63 31 43 6c 29 43 6c 29 4f 43 00 09 75 70 64 | (=S)(Oc1cc(Cl)c(cc1Cl)Cl)OC..upd |
98760 | 61 74 65 64 5f 61 74 00 3d 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 46 7d 7d 46 | ated_at.=.}FP....created_at.F}}F |
98780 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
987a0 | 00 00 02 69 6e 63 68 69 00 4b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 38 43 6c 33 4f 33 50 | ...inchi.K...InChI=1S/C8H8Cl3O3P |
987c0 | 53 2f 63 31 2d 31 32 2d 31 35 28 31 36 2c 31 33 2d 32 29 31 34 2d 38 2d 34 2d 36 28 31 30 29 35 | S/c1-12-15(16,13-2)14-8-4-6(10)5 |
987e0 | 28 39 29 33 2d 37 28 38 29 31 31 2f 68 33 2d 34 48 2c 31 2d 32 48 33 00 00 51 04 00 00 07 5f 69 | (9)3-7(8)11/h3-4H,1-2H3..Q...._i |
98800 | 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 9e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V.$8+r.0.....warnings.......fi |
98820 | 6e 67 65 72 70 72 69 6e 74 73 00 16 03 00 00 04 4d 50 32 44 00 0b 03 00 00 02 30 00 17 00 00 00 | ngerprints......MP2D......0..... |
98840 | 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 31 00 16 00 00 00 32 3b | 15;1-1-2;2-1-2;2-1-15;..1.....2; |
98860 | 31 2d 31 2d 32 3b 31 2d 32 2d 31 35 3b 32 2d 31 2d 31 3b 00 02 32 00 1c 00 00 00 32 3b 31 2d 31 | 1-1-2;1-2-15;2-1-1;..2.....2;1-1 |
98880 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 33 00 1b 00 00 00 31 3b | -1;1-1-2;2-2-1;2-2-15;..3.....1; |
988a0 | 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 2d 32 2d 32 3b 00 02 34 00 27 00 00 00 | 1-2-1;1-1-2;2-4-1;2-2-2;..4.'... |
988c0 | 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b | 1;1-2-1;1-1-2;2-4-1;2-1-2;2-1-8; |
988e0 | 32 2d 31 2d 39 3b 00 02 35 00 15 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d | 2-1-9;..5.....1;1-4-1;2-2-1;2-2- |
98900 | 32 3b 00 02 36 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 37 00 0f 00 00 00 | 2;..6.....1;1-1-1;2-3-1;..7..... |
98920 | 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 38 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d | 1;1-1-1;2-3-1;..8.....2;1-1-1;1- |
98940 | 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b 00 02 39 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b | 1-8;1-1-9;2-3-1;..9.....9;1-1-2; |
98960 | 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 30 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-1-1;2-1-8;..10.!...8;1-1-1;1-1 |
98980 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 31 00 1b 00 00 00 31 3b | -2;2-1-1;2-1-3;2-1-9;..11.....1; |
989a0 | 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 32 00 1b 00 00 | 1-1-3;1-1-8;2-1-2;2-2-3;..12.... |
989c0 | 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 33 00 | .3;1-1-1;1-2-3;2-2-3;2-1-8;..13. |
989e0 | 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f 00 00 | ....3;1-2-3;2-1-1;2-2-3;..14.... |
98a00 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | .3;1-2-3;2-2-3;..15.....3;1-2-3; |
98a20 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | 2-2-3;2-1-8;..16.....3;1-2-3;1-1 |
98a40 | 2d 38 3b 32 2d 33 2d 33 3b 00 02 31 37 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b | -8;2-3-3;..17.....3;1-2-3;2-1-1; |
98a60 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 38 00 0f 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 | 2-2-3;2-1-8;..18.....8;1-2-3;2-4 |
98a80 | 2d 33 3b 00 02 31 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b | -3;..19.....3;1-2-3;1-1-8;2-3-3; |
98aa0 | 00 02 32 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 | ..20.....3;1-2-3;2-2-3;2-1-8;..2 |
98ac0 | 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 32 00 0f 00 00 00 33 3b 31 | 1.....3;1-2-3;2-2-3;..22.....3;1 |
98ae0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -2-3;2-2-3;..23.....3;1-2-3;2-2- |
98b00 | 33 3b 00 02 32 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 | 3;..24.....3;1-2-3;2-2-3;2-1-8;. |
98b20 | 02 32 35 00 17 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 00 | .25.....15;1-1-2;2-1-2;2-1-15;.. |
98b40 | 00 02 73 6d 69 6c 65 73 00 2f 00 00 00 43 6c 43 28 3d 43 43 31 43 28 43 31 28 43 29 43 29 43 28 | ..smiles./...ClC(=CC1C(C1(C)C)C( |
98b60 | 3d 4f 29 4f 43 63 31 63 63 63 63 28 63 31 29 4f 63 31 63 63 63 63 63 31 29 43 6c 00 09 75 70 64 | =O)OCc1cccc(c1)Oc1ccccc1)Cl..upd |
98b80 | 61 74 65 64 5f 61 74 00 40 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 51 7d 7d 46 | ated_at.@.}FP....created_at.Q}}F |
98ba0 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
98bc0 | 00 00 02 69 6e 63 68 69 00 7c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 31 48 32 30 43 6c 32 4f | ...inchi.|...InChI=1S/C21H20Cl2O |
98be0 | 33 2f 63 31 2d 32 31 28 32 29 31 37 28 31 32 2d 31 38 28 32 32 29 32 33 29 31 39 28 32 31 29 32 | 3/c1-21(2)17(12-18(22)23)19(21)2 |
98c00 | 30 28 32 34 29 32 35 2d 31 33 2d 31 34 2d 37 2d 36 2d 31 30 2d 31 36 28 31 31 2d 31 34 29 32 36 | 0(24)25-13-14-7-6-10-16(11-14)26 |
98c20 | 2d 31 35 2d 38 2d 34 2d 33 2d 35 2d 39 2d 31 35 2f 68 33 2d 31 32 2c 31 37 2c 31 39 48 2c 31 33 | -15-8-4-3-5-9-15/h3-12,17,19H,13 |
98c40 | 48 32 2c 31 2d 32 48 33 00 00 6e 03 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 9f 04 | H2,1-2H3..n...._id.V.$8+r.0..... |
98c60 | 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 5e 02 00 00 | warnings.......fingerprints.^... |
98c80 | 04 4d 50 32 44 00 53 02 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b | .MP2D.S....0.....1;1-1-1;2-1-28; |
98ca0 | 00 02 31 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 | ..1.....1;1-1-1;1-1-28;2-1-1;2-1 |
98cc0 | 2d 32 3b 00 02 32 00 1c 00 00 00 32 38 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b | -2;..2.....28;1-2-1;1-1-2;2-3-1; |
98ce0 | 32 2d 31 2d 39 3b 00 02 33 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d | 2-1-9;..3."...2;1-1-1;1-1-9;1-1- |
98d00 | 32 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 | 28;2-3-1;2-1-8;..4.....9;1-1-2;2 |
98d20 | 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 35 00 28 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -1-1;2-1-28;..5.(...1;1-1-1;1-1- |
98d40 | 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 36 00 21 | 2;1-1-8;2-1-3;2-1-9;2-1-28;..6.! |
98d60 | 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 | ...8;1-1-1;1-1-3;2-1-1;2-1-2;2-2 |
98d80 | 2d 33 3b 00 02 37 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 | -3;..7.....3;1-2-3;1-1-8;2-1-1;2 |
98da0 | 2d 33 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 | -3-3;..8.....3;1-2-3;2-2-3;2-1-8 |
98dc0 | 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 0f 00 00 00 | ;..9.....3;1-2-3;2-2-3;..10..... |
98de0 | 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 | 3;1-2-3;2-3-3;..11.....3;1-3-3;2 |
98e00 | 2d 34 2d 33 3b 00 02 31 32 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d | -4-3;..12.....3;1-3-3;2-4-3;2-1- |
98e20 | 38 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 34 00 0f 00 | 8;..13.....3;1-2-3;2-3-3;..14... |
98e40 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | ..3;1-2-3;2-2-3;..15.....3;1-2-3 |
98e60 | 3b 32 2d 32 2d 33 3b 00 02 31 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 | ;2-2-3;..16.....3;1-2-3;2-3-3;.. |
98e80 | 31 37 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 38 00 | 17.....1;1-1-1;2-1-2;2-1-8;..18. |
98ea0 | 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 | ....1;1-1-1;1-1-28;2-1-1;2-1-2;. |
98ec0 | 02 31 39 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 6d 69 6c 65 | .19.....1;1-1-1;2-1-28;....smile |
98ee0 | 73 00 20 00 00 00 43 43 4e 28 43 28 3d 4f 29 43 28 4f 63 31 63 63 63 63 32 63 31 63 63 63 63 32 | s.....CCN(C(=O)C(Oc1cccc2c1cccc2 |
98f00 | 29 43 29 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 43 89 7d 46 50 01 00 00 09 63 72 65 61 74 | )C)CC..updated_at.C.}FP....creat |
98f20 | 65 64 5f 61 74 00 58 7d 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at.X}}FP....default_fingerpri |
98f40 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 60 00 00 00 49 6e 43 68 49 3d 31 53 2f | nt_size......inchi.`...InChI=1S/ |
98f60 | 43 31 37 48 32 31 4e 4f 32 2f 63 31 2d 34 2d 31 38 28 35 2d 32 29 31 37 28 31 39 29 31 33 28 33 | C17H21NO2/c1-4-18(5-2)17(19)13(3 |
98f80 | 29 32 30 2d 31 36 2d 31 32 2d 38 2d 31 30 2d 31 34 2d 39 2d 36 2d 37 2d 31 31 2d 31 35 28 31 34 | )20-16-12-8-10-14-9-6-7-11-15(14 |
98fa0 | 29 31 36 2f 68 36 2d 31 33 48 2c 34 2d 35 48 32 2c 31 2d 33 48 33 00 00 d0 02 00 00 07 5f 69 64 | )16/h6-13H,4-5H2,1-3H3......._id |
98fc0 | 00 56 16 24 38 2b 72 ed 30 fb 00 00 a0 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V.$8+r.0.....warnings.......fin |
98fe0 | 67 65 72 70 72 69 6e 74 73 00 df 01 00 00 04 4d 50 32 44 00 d4 01 00 00 02 30 00 10 00 00 00 31 | gerprints......MP2D......0.....1 |
99000 | 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 00 02 31 00 1c 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 | ;1-1-28;2-1-2;..1.....28;1-1-1;1 |
99020 | 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 32 00 22 00 00 00 32 3b 31 2d 31 2d 32 | -1-2;2-1-2;2-1-9;..2."...2;1-1-2 |
99040 | 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 00 16 00 | ;1-1-9;1-1-28;2-1-1;2-1-2;..3... |
99060 | 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 02 34 00 1c 00 00 00 32 | ..9;1-1-2;2-1-2;2-1-28;..4.....2 |
99080 | 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 35 00 22 00 | ;1-2-2;2-1-1;2-2-9;2-1-28;..5.". |
990a0 | 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d | ..2;1-1-1;1-1-2;1-1-9;2-1-2;2-1- |
990c0 | 31 32 3b 00 02 36 00 28 00 00 00 39 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b | 12;..6.(...9;1-1-2;1-1-12;2-1-1; |
990e0 | 32 2d 31 2d 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 37 00 1c 00 00 00 31 32 3b 31 2d 32 | 2-1-2;2-2-8;2-1-9;..7.....12;1-2 |
99100 | 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 38 00 16 00 00 00 39 3b 31 | -8;1-2-9;2-2-1;2-1-2;..8.....9;1 |
99120 | 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 39 00 1c 00 00 00 38 3b 31 2d 31 2d | -1-12;2-2-8;2-1-9;..9.....8;1-1- |
99140 | 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 31 30 00 10 00 00 00 31 3b | 1;1-1-12;2-1-8;2-2-9;..10.....1; |
99160 | 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 31 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d | 1-1-8;2-1-12;..11.....8;1-1-1;1- |
99180 | 31 2d 31 32 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 31 32 00 10 00 00 00 31 3b 31 2d 31 2d | 1-12;2-1-8;2-2-9;..12.....1;1-1- |
991a0 | 38 3b 32 2d 31 2d 31 32 3b 00 02 31 33 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b | 8;2-1-12;..13.....1;1-1-2;2-1-2; |
991c0 | 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 1a 00 00 00 43 4e 43 28 3d 4f 29 43 3d 43 28 | 2-1-9;....smiles.....CNC(=O)C=C( |
991e0 | 4f 50 28 3d 4f 29 28 4f 43 29 4f 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 46 89 7d 46 50 | OP(=O)(OC)OC)C..updated_at.F.}FP |
99200 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 61 7d 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.a}}FP....default_ |
99220 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 47 00 00 00 | fingerprint_size......inchi.G... |
99240 | 49 6e 43 68 49 3d 31 53 2f 43 37 48 31 34 4e 4f 35 50 2f 63 31 2d 36 28 35 2d 37 28 39 29 38 2d | InChI=1S/C7H14NO5P/c1-6(5-7(9)8- |
99260 | 32 29 31 33 2d 31 34 28 31 30 2c 31 31 2d 33 29 31 32 2d 34 2f 68 35 48 2c 31 2d 34 48 33 2c 28 | 2)13-14(10,11-3)12-4/h5H,1-4H3,( |
99280 | 48 2c 38 2c 39 29 00 00 62 04 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 a1 04 77 61 | H,8,9)..b...._id.V.$8+r.0.....wa |
992a0 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 2d 03 00 00 04 4d | rnings.......fingerprints.-....M |
992c0 | 50 32 44 00 22 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 | P2D."....0.....1;1-1-1;2-2-1;..1 |
992e0 | 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 | .....1;1-3-1;2-1-1;2-1-2;2-1-6;. |
99300 | 02 32 00 2e 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 | .2.....1;1-2-1;1-1-2;1-1-6;2-2-1 |
99320 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d | ;2-1-2;2-1-9;2-1-28;..3.....1;1- |
99340 | 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 34 00 28 00 00 00 36 3b | 1-1;2-1-1;2-1-2;2-1-6;..4.(...6; |
99360 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d | 1-1-1;1-1-2;2-2-1;2-1-2;2-1-3;2- |
99380 | 31 2d 32 38 3b 00 02 35 00 2f 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 31 2d 31 2d 32 | 1-28;..5./...2;1-1-3;1-1-6;1-1-2 |
993a0 | 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 36 00 22 | 8;2-1-1;2-1-2;2-1-3;2-1-11;..6." |
993c0 | 00 00 00 32 38 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d | ...28;1-2-2;2-1-1;2-1-3;2-1-6;2- |
993e0 | 31 2d 39 3b 00 02 37 00 28 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 | 1-9;..7.(...2;1-1-1;1-1-9;1-1-28 |
99400 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 38 00 16 00 00 00 39 3b 31 2d 31 | ;2-2-1;2-1-2;2-1-6;..8.....9;1-1 |
99420 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 39 00 2f 00 00 00 33 3b 31 2d 31 2d 32 3b | -2;2-1-1;2-1-28;..9./...3;1-1-2; |
99440 | 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 | 1-1-3;1-1-11;2-1-2;2-2-3;2-1-6;2 |
99460 | 2d 31 2d 32 38 3b 00 02 31 30 00 16 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d | -1-28;..10.....11;1-2-3;2-1-2;2- |
99480 | 33 2d 33 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 34 2d | 3-3;..11.....3;1-2-3;1-1-11;2-4- |
994a0 | 33 3b 00 02 31 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b | 3;..12.....3;1-2-3;2-2-3;2-1-11; |
994c0 | 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f 00 00 00 | ..13.....3;1-2-3;2-2-3;..14..... |
994e0 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-2-3;2-2-3;..15.....3;1-2-3;2 |
99500 | 2d 33 2d 33 3b 00 02 31 36 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d | -3-3;..16.....3;1-3-3;2-3-3;2-1- |
99520 | 31 31 3b 00 02 31 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b | 11;..17.....3;1-2-3;2-1-2;2-3-3; |
99540 | 00 02 31 38 00 29 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 31 | ..18.)...3;1-1-2;1-2-3;2-1-2;2-1 |
99560 | 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 32 2d 33 32 3b 00 02 31 39 00 16 00 00 00 32 3b 31 2d 31 2d | -3;2-1-11;2-2-32;..19.....2;1-1- |
99580 | 33 3b 31 2d 32 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 32 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 | 3;1-2-32;2-2-3;..20.....32;1-1-2 |
995a0 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 32 31 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b | ;2-1-3;2-1-32;..21.....32;1-1-2; |
995c0 | 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 32 32 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d | 2-1-3;2-1-32;..22.....1;1-1-1;2- |
995e0 | 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 29 00 00 00 43 43 28 43 31 28 43 29 4e 3d 43 28 4e | 2-1;....smiles.)...CC(C1(C)N=C(N |
99600 | 43 31 3d 4f 29 63 31 6e 63 32 63 63 63 63 63 32 63 63 31 43 28 3d 4f 29 4f 29 43 00 09 75 70 64 | C1=O)c1nc2ccccc2cc1C(=O)O)C..upd |
99620 | 61 74 65 64 5f 61 74 00 49 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 68 7d 7d 46 | ated_at.I.}FP....created_at.h}}F |
99640 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
99660 | 00 00 02 69 6e 63 68 69 00 7c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 37 48 31 37 4e 33 4f 33 | ...inchi.|...InChI=1S/C17H17N3O3 |
99680 | 2f 63 31 2d 39 28 32 29 31 37 28 33 29 31 36 28 32 33 29 31 39 2d 31 34 28 32 30 2d 31 37 29 31 | /c1-9(2)17(3)16(23)19-14(20-17)1 |
996a0 | 33 2d 31 31 28 31 35 28 32 31 29 32 32 29 38 2d 31 30 2d 36 2d 34 2d 35 2d 37 2d 31 32 28 31 30 | 3-11(15(21)22)8-10-6-4-5-7-12(10 |
996c0 | 29 31 38 2d 31 33 2f 68 34 2d 39 48 2c 31 2d 33 48 33 2c 28 48 2c 32 31 2c 32 32 29 28 48 2c 31 | )18-13/h4-9H,1-3H3,(H,21,22)(H,1 |
996e0 | 39 2c 32 30 2c 32 33 29 00 00 f9 02 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 a2 04 | 9,20,23)......._id.V.$8+r.0..... |
99700 | 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 f4 01 00 00 | warnings.......fingerprints..... |
99720 | 04 4d 50 32 44 00 e9 01 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 | .MP2D......0.....1;1-1-1;2-1-1;2 |
99740 | 2d 31 2d 31 39 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 | -1-19;..1.....1;1-2-1;1-1-19;2-1 |
99760 | 2d 33 3b 00 02 32 00 1d 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b | -3;..2.....19;1-1-1;1-1-3;2-2-1; |
99780 | 32 2d 32 2d 31 31 3b 00 02 33 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 | 2-2-11;..3.....3;1-2-11;1-1-19;2 |
997a0 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 18 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -1-1;2-2-3;..4.....11;1-2-3;2-2- |
997c0 | 31 31 3b 32 2d 32 2d 31 39 3b 00 02 35 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 | 11;2-2-19;..5.....3;1-2-11;1-1-1 |
997e0 | 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 1d 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 | 9;2-1-1;2-2-3;..6.....19;1-1-1;1 |
99800 | 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 31 31 3b 00 02 37 00 16 00 00 00 31 3b 31 2d 32 2d | -1-3;2-2-1;2-2-11;..7.....1;1-2- |
99820 | 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 00 02 38 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 | 1;1-1-19;2-1-3;..8.....1;1-1-1;2 |
99840 | 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 39 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d | -1-1;2-1-19;..9.....1;1-1-1;2-1- |
99860 | 31 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 1f 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 | 1;2-1-19;..10.....11;1-2-3;2-2-1 |
99880 | 31 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 17 00 00 00 33 3b 31 2d 32 2d 31 | 1;2-1-15;2-1-19;..11.....3;1-2-1 |
998a0 | 31 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 31 32 00 1f 00 00 00 31 31 3b 31 2d 32 2d 33 | 1;1-1-15;2-2-3;..12.....11;1-2-3 |
998c0 | 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 11 00 00 00 31 | ;2-2-11;2-1-15;2-1-19;..13.....1 |
998e0 | 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 34 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b | 5;1-1-3;2-2-11;..14.....1;1-1-1; |
99900 | 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 1b 00 00 00 43 43 28 4e | 2-1-1;2-1-19;....smiles.....CC(N |
99920 | 63 31 6e 63 28 4e 43 28 43 29 43 29 6e 63 28 6e 31 29 43 6c 29 43 00 09 75 70 64 61 74 65 64 5f | c1nc(NC(C)C)nc(n1)Cl)C..updated_ |
99940 | 61 74 00 4b 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 70 7d 7d 46 50 01 00 00 10 | at.K.}FP....created_at.p}}FP.... |
99960 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e | default_fingerprint_size......in |
99980 | 63 68 69 00 5a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 36 43 6c 4e 35 2f 63 31 2d 35 28 | chi.Z...InChI=1S/C9H16ClN5/c1-5( |
999a0 | 32 29 31 31 2d 38 2d 31 33 2d 37 28 31 30 29 31 34 2d 39 28 31 35 2d 38 29 31 32 2d 36 28 33 29 | 2)11-8-13-7(10)14-9(15-8)12-6(3) |
999c0 | 34 2f 68 35 2d 36 48 2c 31 2d 34 48 33 2c 28 48 32 2c 31 31 2c 31 32 2c 31 33 2c 31 34 2c 31 35 | 4/h5-6H,1-4H3,(H2,11,12,13,14,15 |
999e0 | 29 00 00 b5 02 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 a3 04 77 61 72 6e 69 6e 67 | )......._id.V.$8+r.0.....warning |
99a00 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 cc 01 00 00 04 4d 50 32 44 00 c1 | s.......fingerprints......MP2D.. |
99a20 | 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 31 00 1b 00 00 00 | ....0.....1;1-1-8;2-1-2;..1..... |
99a40 | 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 00 21 00 | 8;1-1-1;1-1-2;2-1-3;2-1-9;..2.!. |
99a60 | 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d | ..2;1-1-3;1-1-8;1-1-9;2-1-1;2-2- |
99a80 | 33 3b 00 02 33 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 | 3;..3.....9;1-1-2;2-1-3;2-1-8;.. |
99aa0 | 34 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b | 4.'...3;1-1-2;1-2-3;2-1-2;2-2-3; |
99ac0 | 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 2-1-8;2-1-9;..5.....3;1-2-3;2-1- |
99ae0 | 32 3b 32 2d 32 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 | 2;2-2-3;..6.....3;1-2-3;2-2-3;.. |
99b00 | 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 2d | 7.....3;1-2-3;2-2-3;..8.....3;1- |
99b20 | 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 39 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b | 2-3;2-1-2;2-2-3;..9.'...3;1-1-2; |
99b40 | 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 | 1-2-3;2-1-2;2-2-3;2-1-8;2-1-9;.. |
99b60 | 31 30 00 21 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 | 10.!...2;1-1-3;1-1-8;1-1-9;2-1-1 |
99b80 | 3b 32 2d 32 2d 33 3b 00 02 31 31 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d | ;2-2-3;..11.....9;1-1-2;2-1-3;2- |
99ba0 | 31 2d 38 3b 00 02 31 32 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 | 1-8;..12.....8;1-1-1;1-1-2;2-1-3 |
99bc0 | 3b 32 2d 31 2d 39 3b 00 02 31 33 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 00 | ;2-1-9;..13.....1;1-1-8;2-1-2;.. |
99be0 | 00 02 73 6d 69 6c 65 73 00 17 00 00 00 43 4f 43 28 3d 4f 29 63 31 63 63 63 63 63 31 43 28 3d 4f | ..smiles.....COC(=O)c1ccccc1C(=O |
99c00 | 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 56 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 | )OC..updated_at.V.}FP....created |
99c20 | 5f 61 74 00 83 7d 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at..}}FP....default_fingerprint |
99c40 | 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 42 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 | _size......inchi.B...InChI=1S/C1 |
99c60 | 30 48 31 30 4f 34 2f 63 31 2d 31 33 2d 39 28 31 31 29 37 2d 35 2d 33 2d 34 2d 36 2d 38 28 37 29 | 0H10O4/c1-13-9(11)7-5-3-4-6-8(7) |
99c80 | 31 30 28 31 32 29 31 34 2d 32 2f 68 33 2d 36 48 2c 31 2d 32 48 33 00 00 ec 02 00 00 07 5f 69 64 | 10(12)14-2/h3-6H,1-2H3......._id |
99ca0 | 00 56 16 24 38 2b 72 ed 30 fb 00 00 a4 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V.$8+r.0.....warnings.......fin |
99cc0 | 67 65 72 70 72 69 6e 74 73 00 fd 01 00 00 04 4d 50 32 44 00 f2 01 00 00 02 30 00 0f 00 00 00 31 | gerprints......MP2D......0.....1 |
99ce0 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | ;1-1-1;2-1-8;..1.....1;1-1-1;1-1 |
99d00 | 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 32 00 2a 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 | -8;2-1-12;..2.*...8;1-1-1;1-1-12 |
99d20 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 33 00 1e | ;2-1-1;2-1-8;2-1-10;2-1-18;..3.. |
99d40 | 00 00 00 31 32 3b 31 2d 32 2d 38 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 31 38 3b 32 2d 33 2d 31 3b | ...12;1-2-8;1-1-10;1-1-18;2-3-1; |
99d60 | 00 02 34 00 18 00 00 00 31 38 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 30 3b 00 | ..4.....18;1-1-12;2-2-8;2-1-10;. |
99d80 | 02 35 00 25 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 | .5.%...10;1-1-1;1-1-12;2-2-8;2-1 |
99da0 | 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 36 00 17 00 00 00 31 3b 31 2d 32 2d 31 30 3b 32 2d 31 2d | -10;2-1-18;..6.....1;1-2-10;2-1- |
99dc0 | 31 3b 32 2d 31 2d 31 32 3b 00 02 37 00 17 00 00 00 31 30 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b | 1;2-1-12;..7.....10;1-2-1;2-3-1; |
99de0 | 32 2d 31 2d 31 30 3b 00 02 38 00 16 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d | 2-1-10;..8.....1;1-3-1;1-1-10;2- |
99e00 | 31 2d 31 3b 00 02 39 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 30 | 1-1;..9.....1;1-1-1;2-2-1;2-1-10 |
99e20 | 3b 00 02 31 30 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 30 3b 00 | ;..10.....1;1-1-1;2-2-1;2-1-10;. |
99e40 | 02 31 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 31 | .11.....1;1-1-1;2-2-1;2-1-10;..1 |
99e60 | 32 00 2a 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 | 2.*...8;1-1-1;1-1-12;2-1-1;2-1-8 |
99e80 | 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 31 33 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b | ;2-1-10;2-1-18;..13.....1;1-1-1; |
99ea0 | 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 34 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d | 1-1-8;2-1-12;..14.....1;1-1-1;2- |
99ec0 | 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 43 43 4f 50 28 3d 53 29 28 53 43 53 43 | 1-8;....smiles.....CCOP(=S)(SCSC |
99ee0 | 28 43 29 28 43 29 43 29 4f 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 16 8c 7d 46 50 01 00 00 | (C)(C)C)OCC..updated_at...}FP... |
99f00 | 09 63 72 65 61 74 65 64 5f 61 74 00 88 7d 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at..}}FP....default_fin |
99f20 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 46 00 00 00 49 6e 43 | gerprint_size......inchi.F...InC |
99f40 | 68 49 3d 31 53 2f 43 39 48 32 31 4f 32 50 53 33 2f 63 31 2d 36 2d 31 30 2d 31 32 28 31 33 2c 31 | hI=1S/C9H21O2PS3/c1-6-10-12(13,1 |
99f60 | 31 2d 37 2d 32 29 31 35 2d 38 2d 31 34 2d 39 28 33 2c 34 29 35 2f 68 36 2d 38 48 32 2c 31 2d 35 | 1-7-2)15-8-14-9(3,4)5/h6-8H2,1-5 |
99f80 | 48 33 00 00 f4 02 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 a5 04 77 61 72 6e 69 6e | H3......._id.V.$8+r.0.....warnin |
99fa0 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 fe 01 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
99fc0 | f3 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 16 00 00 | .....0.....1;1-1-1;2-1-8;..1.... |
99fe0 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 32 00 23 00 00 00 38 3b | .1;1-1-1;1-1-8;2-1-12;..2.#...8; |
9a000 | 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 30 3b | 1-1-1;1-1-12;2-1-1;2-1-9;2-2-10; |
9a020 | 00 02 33 00 1d 00 00 00 31 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 32 2d 31 30 3b 32 2d | ..3.....12;1-1-8;1-1-9;1-2-10;2- |
9a040 | 33 2d 31 3b 00 02 34 00 17 00 00 00 39 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 | 3-1;..4.....9;1-1-12;2-1-8;2-2-1 |
9a060 | 30 3b 00 02 35 00 2a 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 31 3b | 0;..5.*...10;1-1-1;1-1-12;2-2-1; |
9a080 | 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 30 3b 00 02 36 00 1d 00 00 00 31 3b 31 2d 32 | 2-1-8;2-1-9;2-1-10;..6.....1;1-2 |
9a0a0 | 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 32 3b 00 02 37 00 16 00 00 00 31 | -1;1-1-10;2-1-1;2-1-12;..7.....1 |
9a0c0 | 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d | ;1-2-1;2-1-1;2-1-10;..8.....1;1- |
9a0e0 | 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 39 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b | 1-1;2-1-1;..9.....1;1-1-1;2-1-1; |
9a100 | 32 2d 31 2d 31 30 3b 00 02 31 30 00 2a 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b | 2-1-10;..10.*...10;1-1-1;1-1-12; |
9a120 | 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 30 3b 00 02 31 31 00 1d 00 | 2-2-1;2-1-8;2-1-9;2-1-10;..11... |
9a140 | 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 32 3b 00 02 | ..1;1-2-1;1-1-10;2-1-1;2-1-12;.. |
9a160 | 31 32 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 31 33 | 12.....1;1-2-1;2-1-1;2-1-10;..13 |
9a180 | 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 34 00 16 00 00 00 31 3b 31 2d | .....1;1-1-1;2-1-1;..14.....1;1- |
9a1a0 | 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 00 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 | 1-1;2-1-1;2-1-10;....smiles..... |
9a1c0 | 43 43 4f 50 28 3d 4f 29 28 53 43 28 43 43 29 43 29 53 43 28 43 43 29 43 00 09 75 70 64 61 74 65 | CCOP(=O)(SC(CC)C)SC(CC)C..update |
9a1e0 | 64 5f 61 74 00 5b 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 8e 7d 7d 46 50 01 00 | d_at.[.}FP....created_at..}}FP.. |
9a200 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 | ..default_fingerprint_size...... |
9a220 | 69 6e 63 68 69 00 4d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 32 33 4f 32 50 53 32 2f 63 | inchi.M...InChI=1S/C10H23O2PS2/c |
9a240 | 31 2d 36 2d 39 28 34 29 31 34 2d 31 33 28 31 31 2c 31 32 2d 38 2d 33 29 31 35 2d 31 30 28 35 29 | 1-6-9(4)14-13(11,12-8-3)15-10(5) |
9a260 | 37 2d 32 2f 68 39 2d 31 30 48 2c 36 2d 38 48 32 2c 31 2d 35 48 33 00 00 aa 03 00 00 07 5f 69 64 | 7-2/h9-10H,6-8H2,1-5H3......._id |
9a280 | 00 56 16 24 38 2b 72 ed 30 fb 00 00 a6 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V.$8+r.0.....warnings.......fin |
9a2a0 | 67 65 72 70 72 69 6e 74 73 00 98 02 00 00 04 4d 50 32 44 00 8d 02 00 00 02 30 00 10 00 00 00 31 | gerprints......MP2D......0.....1 |
9a2c0 | 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | 5;1-1-1;2-1-1;..1.....1;1-1-1;1- |
9a2e0 | 31 2d 31 35 3b 32 2d 32 2d 31 3b 00 02 32 00 1d 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 2d 32 | 1-15;2-2-1;..2.....1;1-3-1;2-1-2 |
9a300 | 3b 32 2d 32 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 02 33 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | ;2-2-15;2-1-28;..3."...1;1-1-1;1 |
9a320 | 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 34 00 28 00 00 00 | -1-28;2-2-1;2-1-2;2-1-3;..4.(... |
9a340 | 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 | 28;1-1-1;1-1-2;1-1-3;2-2-1;2-2-3 |
9a360 | 3b 32 2d 31 2d 39 3b 00 02 35 00 29 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 | ;2-1-9;..5.)...2;1-1-1;1-1-9;1-1 |
9a380 | 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 36 00 16 00 00 00 39 | -28;2-2-1;2-1-3;2-1-15;..6.....9 |
9a3a0 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 37 00 29 00 00 00 31 3b 31 2d | ;1-1-2;2-1-1;2-1-28;..7.)...1;1- |
9a3c0 | 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 | 1-1;1-1-2;1-1-15;2-2-1;2-1-9;2-1 |
9a3e0 | 2d 32 38 3b 00 02 38 00 16 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 | -28;..8.....15;1-1-1;2-1-1;2-1-2 |
9a400 | 3b 00 02 39 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d | ;..9."...3;1-2-3;1-1-28;2-1-1;2- |
9a420 | 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 1-2;2-2-3;..10.....3;1-2-3;2-2-3 |
9a440 | 3b 32 2d 31 2d 32 38 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | ;2-1-28;..11.....3;1-2-3;2-2-3;. |
9a460 | 02 31 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 33 | .12.....3;1-2-3;2-1-1;2-2-3;..13 |
9a480 | 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b | .....3;1-1-1;1-2-3;2-2-3;2-3-16; |
9a4a0 | 00 02 31 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 | ..14.....3;1-2-3;2-1-1;2-2-3;2-1 |
9a4c0 | 2d 32 38 3b 00 02 31 35 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 3b 32 2d 32 2d | -28;..15.....1;1-1-3;1-3-16;2-2- |
9a4e0 | 33 3b 00 02 31 36 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 | 3;..16.....16;1-1-1;2-1-3;2-2-16 |
9a500 | 3b 00 02 31 37 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b | ;..17.....16;1-1-1;2-1-3;2-2-16; |
9a520 | 00 02 31 38 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 | ..18.....16;1-1-1;2-1-3;2-2-16;. |
9a540 | 00 00 02 73 6d 69 6c 65 73 00 25 00 00 00 43 6c 43 43 31 43 4e 28 43 28 3d 4f 29 43 31 43 6c 29 | ...smiles.%...ClCC1CN(C(=O)C1Cl) |
9a560 | 63 31 63 63 63 63 28 63 31 29 43 28 46 29 28 46 29 46 00 09 75 70 64 61 74 65 64 5f 61 74 00 5f | c1cccc(c1)C(F)(F)F..updated_at._ |
9a580 | 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 97 7d 7d 46 50 01 00 00 10 64 65 66 61 | .}FP....created_at..}}FP....defa |
9a5a0 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 | ult_fingerprint_size......inchi. |
9a5c0 | 5d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 30 43 6c 32 46 33 4e 4f 2f 63 31 33 2d 35 | ]...InChI=1S/C12H10Cl2F3NO/c13-5 |
9a5e0 | 2d 37 2d 36 2d 31 38 28 31 31 28 31 39 29 31 30 28 37 29 31 34 29 39 2d 33 2d 31 2d 32 2d 38 28 | -7-6-18(11(19)10(7)14)9-3-1-2-8( |
9a600 | 34 2d 39 29 31 32 28 31 35 2c 31 36 29 31 37 2f 68 31 2d 34 2c 37 2c 31 30 48 2c 35 2d 36 48 32 | 4-9)12(15,16)17/h1-4,7,10H,5-6H2 |
9a620 | 00 00 b1 02 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 a7 04 77 61 72 6e 69 6e 67 73 | ......._id.V.$8+r.0.....warnings |
9a640 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b5 01 00 00 04 4d 50 32 44 00 aa 01 | .......fingerprints......MP2D... |
9a660 | 00 00 02 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 | ...0.....32;1-1-2;2-1-1;2-1-32;. |
9a680 | 02 31 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 32 2d 31 3b 00 02 32 00 | .1.....2;1-1-1;1-2-32;2-2-1;..2. |
9a6a0 | 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 33 00 28 00 | ....32;1-1-2;2-1-1;2-1-32;..3.(. |
9a6c0 | 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d | ..1;1-2-1;1-1-2;2-2-1;2-1-2;2-1- |
9a6e0 | 38 3b 32 2d 32 2d 33 32 3b 00 02 34 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 | 8;2-2-32;..4.....1;1-2-1;1-1-8;2 |
9a700 | 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 35 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 | -3-1;2-1-2;..5.....1;1-2-1;2-2-1 |
9a720 | 3b 32 2d 31 2d 38 3b 00 02 36 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 | ;2-1-8;..6.....1;1-2-1;2-2-1;2-1 |
9a740 | 2d 38 3b 00 02 37 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 | -8;..7.....1;1-2-1;1-1-8;2-3-1;2 |
9a760 | 2d 31 2d 32 3b 00 02 38 00 28 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 | -1-2;..8.(...1;1-2-1;1-1-2;2-2-1 |
9a780 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 32 2d 33 32 3b 00 02 39 00 16 00 00 00 32 3b 31 2d | ;2-1-2;2-1-8;2-2-32;..9.....2;1- |
9a7a0 | 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 32 2d 31 3b 00 02 31 30 00 17 00 00 00 33 32 3b 31 2d 31 | 1-1;1-2-32;2-2-1;..10.....32;1-1 |
9a7c0 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 31 31 00 17 00 00 00 33 32 3b 31 2d 31 2d | -2;2-1-1;2-1-32;..11.....32;1-1- |
9a7e0 | 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 31 32 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b | 2;2-1-1;2-1-32;..12.....8;1-2-1; |
9a800 | 32 2d 34 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 1a 00 00 00 4f 43 28 3d 4f 29 43 31 43 32 43 | 2-4-1;....smiles.....OC(=O)C1C2C |
9a820 | 43 43 28 43 31 43 28 3d 4f 29 4f 29 4f 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 62 89 7d 46 50 | CC(C1C(=O)O)O2..updated_at.b.}FP |
9a840 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 9d 7d 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at..}}FP....default_ |
9a860 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 52 00 00 00 | fingerprint_size......inchi.R... |
9a880 | 49 6e 43 68 49 3d 31 53 2f 43 38 48 31 30 4f 35 2f 63 39 2d 37 28 31 30 29 35 2d 33 2d 31 2d 32 | InChI=1S/C8H10O5/c9-7(10)5-3-1-2 |
9a8a0 | 2d 34 28 31 33 2d 33 29 36 28 35 29 38 28 31 31 29 31 32 2f 68 33 2d 36 48 2c 31 2d 32 48 32 2c | -4(13-3)6(5)8(11)12/h3-6H,1-2H2, |
9a8c0 | 28 48 2c 39 2c 31 30 29 28 48 2c 31 31 2c 31 32 29 00 00 29 03 00 00 07 5f 69 64 00 56 16 24 38 | (H,9,10)(H,11,12)..)...._id.V.$8 |
9a8e0 | 2b 72 ed 30 fb 00 00 a8 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.0.....warnings.......fingerpr |
9a900 | 69 6e 74 73 00 23 02 00 00 04 4d 50 32 44 00 18 02 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d | ints.#....MP2D......0.....1;1-1- |
9a920 | 32 38 3b 32 2d 31 2d 32 3b 00 02 31 00 1c 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | 28;2-1-2;..1.....28;1-1-1;1-1-2; |
9a940 | 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 00 22 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d | 2-1-8;2-1-9;..2."...2;1-1-8;1-1- |
9a960 | 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 00 16 00 00 00 39 3b 31 | 9;1-1-28;2-1-1;2-1-3;..3.....9;1 |
9a980 | 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 34 00 22 00 00 00 38 3b 31 2d 31 2d | -1-2;2-1-8;2-1-28;..4."...8;1-1- |
9a9a0 | 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 35 00 21 | 2;1-1-3;2-2-3;2-1-9;2-1-28;..5.! |
9a9c0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 | ...3;1-2-3;1-1-8;2-1-2;2-2-3;2-1 |
9a9e0 | 2d 38 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 | -8;..6.....3;1-2-3;2-2-3;2-1-8;. |
9aa00 | 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 | .7.....3;1-2-3;2-2-3;..8.....3;1 |
9aa20 | 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 21 00 00 00 33 3b 31 2d 31 2d 31 | -2-3;2-1-1;2-2-3;..9.!...3;1-1-1 |
9aa40 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 30 00 21 00 | ;1-2-3;2-1-1;2-2-3;2-1-8;..10.!. |
9aa60 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d | ..3;1-2-3;1-1-8;2-2-1;2-2-3;2-1- |
9aa80 | 38 3b 00 02 31 31 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 33 2d 31 3b 32 | 8;..11.....8;1-1-1;1-1-3;2-3-1;2 |
9aaa0 | 2d 32 2d 33 3b 00 02 31 32 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d | -2-3;..12.....1;1-3-1;1-1-8;2-2- |
9aac0 | 33 3b 00 02 31 33 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 | 3;..13.!...1;1-1-1;1-1-3;2-2-1;2 |
9aae0 | 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 34 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d | -2-3;2-1-8;..14.....1;1-1-1;2-2- |
9ab00 | 31 3b 32 2d 31 2d 38 3b 00 02 31 35 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 | 1;2-1-8;..15.....1;1-1-1;2-2-1;2 |
9ab20 | 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 1c 00 00 00 43 4e 43 28 3d 4f 29 4f 63 31 63 63 | -1-8;....smiles.....CNC(=O)Oc1cc |
9ab40 | 63 63 32 63 31 4f 43 28 43 32 29 28 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 64 89 7d 46 | cc2c1OC(C2)(C)C..updated_at.d.}F |
9ab60 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a3 7d 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at..}}FP....default |
9ab80 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 5a 00 00 | _fingerprint_size......inchi.Z.. |
9aba0 | 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 35 4e 4f 33 2f 63 31 2d 31 32 28 32 29 37 2d 38 2d | .InChI=1S/C12H15NO3/c1-12(2)7-8- |
9abc0 | 35 2d 34 2d 36 2d 39 28 31 30 28 38 29 31 36 2d 31 32 29 31 35 2d 31 31 28 31 34 29 31 33 2d 33 | 5-4-6-9(10(8)16-12)15-11(14)13-3 |
9abe0 | 2f 68 34 2d 36 48 2c 37 48 32 2c 31 2d 33 48 33 2c 28 48 2c 31 33 2c 31 34 29 00 00 c2 03 00 00 | /h4-6H,7H2,1-3H3,(H,13,14)...... |
9ac00 | 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 a9 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V.$8+r.0.....warnings...... |
9ac20 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a7 02 00 00 04 4d 50 32 44 00 9c 02 00 00 02 30 00 10 | .fingerprints......MP2D......0.. |
9ac40 | 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 1c 00 00 00 33 3b 31 2d 32 2d | ...15;1-1-3;2-2-3;..1.....3;1-2- |
9ac60 | 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 00 16 00 00 00 33 3b 31 | 3;1-1-15;2-2-3;2-1-8;..2.....3;1 |
9ac80 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 33 00 1d 00 00 00 33 3b 31 2d 32 2d | -2-3;2-2-3;2-2-15;..3.....3;1-2- |
9aca0 | 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 34 00 10 00 00 00 31 35 | 3;1-1-15;2-2-3;2-1-15;..4.....15 |
9acc0 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | ;1-1-3;2-2-3;..5.#...3;1-2-3;1-1 |
9ace0 | 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 36 00 22 00 00 00 33 | -15;2-1-1;2-2-3;2-1-15;..6."...3 |
9ad00 | 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 35 3b | ;1-1-1;1-2-3;2-3-3;2-1-8;2-1-15; |
9ad20 | 00 02 37 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d | ..7."...3;1-2-3;1-1-8;2-1-1;2-2- |
9ad40 | 33 3b 32 2d 31 2d 31 35 3b 00 02 38 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | 3;2-1-15;..8.....8;1-1-3;2-2-3;. |
9ad60 | 02 39 00 0f 00 00 00 31 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 30 00 22 00 00 00 33 3b | .9.....1;1-2-3;2-4-3;..10."...3; |
9ad80 | 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 35 3b 00 | 1-1-1;1-2-3;2-3-3;2-1-8;2-1-15;. |
9ada0 | 02 31 31 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d | .11."...3;1-2-3;1-1-8;2-1-1;2-2- |
9adc0 | 33 3b 32 2d 31 2d 31 35 3b 00 02 31 32 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b | 3;2-1-15;..12.....8;1-1-3;2-2-3; |
9ade0 | 00 02 31 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d | ..13.....3;1-2-3;1-1-15;2-2-3;2- |
9ae00 | 31 2d 38 3b 00 02 31 34 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 | 1-8;..14.....15;1-1-3;2-2-3;..15 |
9ae20 | 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 31 36 00 1d | .....3;1-2-3;2-2-3;2-2-15;..16.. |
9ae40 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 | ...3;1-2-3;1-1-15;2-2-3;2-1-15;. |
9ae60 | 02 31 37 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 32 | .17.#...3;1-2-3;1-1-15;2-1-1;2-2 |
9ae80 | 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 38 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d | -3;2-1-15;..18.....15;1-1-3;2-2- |
9aea0 | 33 3b 00 02 31 39 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 30 00 10 | 3;..19.....15;1-1-3;2-2-3;..20.. |
9aec0 | 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 2c 00 00 | ...15;1-1-3;2-2-3;....smiles.,.. |
9aee0 | 00 43 6c 63 31 63 63 28 43 6c 29 63 28 63 28 63 31 4f 29 43 63 31 63 28 4f 29 63 28 43 6c 29 63 | .Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)c |
9af00 | 63 28 63 31 43 6c 29 43 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 67 89 7d 46 50 01 00 | c(c1Cl)Cl)Cl..updated_at.g.}FP.. |
9af20 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 aa 7d 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at..}}FP....default_fi |
9af40 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 5f 00 00 00 49 6e | ngerprint_size......inchi._...In |
9af60 | 43 68 49 3d 31 53 2f 43 31 33 48 36 43 6c 36 4f 32 2f 63 31 34 2d 36 2d 32 2d 38 28 31 36 29 31 | ChI=1S/C13H6Cl6O2/c14-6-2-8(16)1 |
9af80 | 32 28 32 30 29 34 28 31 30 28 36 29 31 38 29 31 2d 35 2d 31 31 28 31 39 29 37 28 31 35 29 33 2d | 2(20)4(10(6)18)1-5-11(19)7(15)3- |
9afa0 | 39 28 31 37 29 31 33 28 35 29 32 31 2f 68 32 2d 33 2c 32 30 2d 32 31 48 2c 31 48 32 00 00 29 03 | 9(17)13(5)21/h2-3,20-21H,1H2..). |
9afc0 | 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 aa 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V.$8+r.0.....warnings.... |
9afe0 | 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 2a 02 00 00 04 4d 50 32 44 00 1f 02 00 00 02 30 | ...fingerprints.*....MP2D......0 |
9b000 | 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 00 22 00 | .....9;1-1-2;2-1-1;2-1-28;..1.". |
9b020 | 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 34 2d 31 3b 32 2d 31 | ..2;1-1-1;1-1-9;1-1-28;2-4-1;2-1 |
9b040 | 2d 38 3b 00 02 32 00 28 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b | -8;..2.(...28;1-1-1;1-1-2;1-1-8; |
9b060 | 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 1c 00 00 00 38 3b 31 2d 31 2d | 2-2-1;2-1-3;2-1-9;..3.....8;1-1- |
9b080 | 31 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 00 22 00 00 00 31 3b 31 | 1;1-1-28;2-2-1;2-1-2;..4."...1;1 |
9b0a0 | 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 02 | -1-1;1-1-8;2-2-1;2-1-2;2-1-28;.. |
9b0c0 | 35 00 22 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b | 5."...1;1-3-1;1-1-2;2-1-8;2-1-9; |
9b0e0 | 32 2d 31 2d 32 38 3b 00 02 36 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 | 2-1-28;..6.....1;1-1-1;2-2-1;2-1 |
9b100 | 2d 32 3b 00 02 37 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 | -2;..7.....1;1-1-1;2-2-1;2-1-2;. |
9b120 | 02 38 00 22 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d | .8."...1;1-1-3;1-1-28;2-1-2;2-2- |
9b140 | 33 3b 32 2d 31 2d 38 3b 00 02 39 00 23 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d | 3;2-1-8;..9.#...3;1-1-1;1-2-3;2- |
9b160 | 32 2d 33 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 | 2-3;2-1-15;2-1-28;..10.....3;1-2 |
9b180 | 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-1-1;2-2-3;..11.....3;1-2-3; |
9b1a0 | 32 2d 32 2d 33 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | 2-2-3;..12.....3;1-2-3;2-2-3;..1 |
9b1c0 | 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 34 00 | 3.....3;1-2-3;2-2-3;2-1-15;..14. |
9b1e0 | 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | ....3;1-2-3;1-1-15;2-1-1;2-2-3;. |
9b200 | 02 31 35 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 | .15.....15;1-1-3;2-2-3;....smile |
9b220 | 73 00 1b 00 00 00 4f 3d 43 31 4e 28 4f 43 43 31 28 43 29 43 29 43 63 31 63 63 63 63 63 31 43 6c | s.....O=C1N(OCC1(C)C)Cc1ccccc1Cl |
9b240 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 69 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.i.}FP....created_at |
9b260 | 00 b0 7d 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | ..}}FP....default_fingerprint_si |
9b280 | 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 54 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 | ze......inchi.T...InChI=1S/C12H1 |
9b2a0 | 34 43 6c 4e 4f 32 2f 63 31 2d 31 32 28 32 29 38 2d 31 36 2d 31 34 28 31 31 28 31 32 29 31 35 29 | 4ClNO2/c1-12(2)8-16-14(11(12)15) |
9b2c0 | 37 2d 39 2d 35 2d 33 2d 34 2d 36 2d 31 30 28 39 29 31 33 2f 68 33 2d 36 48 2c 37 2d 38 48 32 2c | 7-9-5-3-4-6-10(9)13/h3-6H,7-8H2, |
9b2e0 | 31 2d 32 48 33 00 00 1f 03 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 ab 04 77 61 72 | 1-2H3......._id.V.$8+r.0.....war |
9b300 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 1e 02 00 00 04 4d 50 | nings.......fingerprints......MP |
9b320 | 32 44 00 13 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 | 2D......0.....1;1-1-1;2-1-1;..1. |
9b340 | 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 31 3b 00 02 32 00 1c 00 00 | ....1;1-2-1;2-1-1;2-1-11;..2.... |
9b360 | 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 | .1;1-2-1;1-1-11;2-1-1;2-2-3;..3. |
9b380 | 29 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 | )...11;1-1-1;1-2-3;2-2-1;2-1-3;2 |
9b3a0 | 2d 32 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 34 00 23 00 00 00 33 3b 31 2d 31 2d 39 3b 31 2d 32 2d | -2-9;2-1-11;..4.#...3;1-1-9;1-2- |
9b3c0 | 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 35 00 10 00 00 00 39 3b | 11;2-1-1;2-2-3;2-1-13;..5.....9; |
9b3e0 | 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 36 00 2a 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d | 1-1-3;2-2-11;..6.*...11;1-2-3;1- |
9b400 | 31 2d 31 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 | 1-13;2-1-1;2-1-3;2-1-9;2-1-11;.. |
9b420 | 37 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 38 00 2a 00 00 00 33 3b | 7.....13;1-1-11;2-2-3;..8.*...3; |
9b440 | 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 33 3b | 1-1-1;1-1-3;1-1-11;2-2-3;2-1-13; |
9b460 | 32 2d 31 2d 31 34 3b 00 02 39 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 34 3b 32 2d | 2-1-14;..9.#...3;1-2-3;1-1-14;2- |
9b480 | 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 31 3b 00 02 31 30 00 29 00 00 00 33 3b 31 2d 31 2d | 1-1;2-1-9;2-2-11;..10.)...3;1-1- |
9b4a0 | 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | 3;1-1-9;1-1-11;2-1-1;2-2-3;2-1-1 |
9b4c0 | 34 3b 00 02 31 31 00 16 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b | 4;..11.....9;1-1-3;2-1-3;2-1-11; |
9b4e0 | 00 02 31 32 00 10 00 00 00 31 34 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 16 00 00 | ..12.....14;1-1-3;2-2-3;..13.... |
9b500 | 00 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 34 00 16 00 00 00 31 | .1;1-1-3;2-1-3;2-1-11;..14.....1 |
9b520 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 1f | ;1-1-1;2-1-1;2-1-11;....smiles.. |
9b540 | 00 00 00 43 43 43 28 6e 31 63 28 3d 4f 29 5b 6e 48 5d 63 28 63 28 63 31 3d 4f 29 42 72 29 43 29 | ...CCC(n1c(=O)[nH]c(c(c1=O)Br)C) |
9b560 | 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 6c 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | C..updated_at.l.}FP....created_a |
9b580 | 74 00 b6 7d 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t..}}FP....default_fingerprint_s |
9b5a0 | 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 52 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 | ize......inchi.R...InChI=1S/C9H1 |
9b5c0 | 33 42 72 4e 32 4f 32 2f 63 31 2d 34 2d 35 28 32 29 31 32 2d 38 28 31 33 29 37 28 31 30 29 36 28 | 3BrN2O2/c1-4-5(2)12-8(13)7(10)6( |
9b5e0 | 33 29 31 31 2d 39 28 31 32 29 31 34 2f 68 35 48 2c 34 48 32 2c 31 2d 33 48 33 2c 28 48 2c 31 31 | 3)11-9(12)14/h5H,4H2,1-3H3,(H,11 |
9b600 | 2c 31 34 29 00 00 13 03 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 ac 04 77 61 72 6e | ,14)......._id.V.$8+r.0.....warn |
9b620 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 11 02 00 00 04 4d 50 32 | ings.......fingerprints......MP2 |
9b640 | 44 00 06 02 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 00 02 31 00 | D......0.....1;1-1-28;2-1-2;..1. |
9b660 | 1c 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 | ....28;1-1-1;1-1-2;2-1-8;2-1-9;. |
9b680 | 02 32 00 22 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d | .2."...2;1-1-8;1-1-9;1-1-28;2-1- |
9b6a0 | 31 3b 32 2d 31 2d 33 3b 00 02 33 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d | 1;2-1-3;..3.....9;1-1-2;2-1-8;2- |
9b6c0 | 31 2d 32 38 3b 00 02 34 00 22 00 00 00 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | 1-28;..4."...8;1-1-2;1-1-3;2-2-3 |
9b6e0 | 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 35 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | ;2-1-9;2-1-28;..5.....3;1-2-3;1- |
9b700 | 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b | 1-8;2-1-2;2-2-3;..6.....3;1-2-3; |
9b720 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 31 2d | 2-1-1;2-2-3;2-1-8;..7.....3;1-1- |
9b740 | 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 38 00 0f 00 00 00 31 3b 31 | 1;1-2-3;2-2-3;2-1-19;..8.....1;1 |
9b760 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | -1-3;2-2-3;..9.....3;1-2-3;1-1-1 |
9b780 | 39 3b 32 2d 34 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 | 9;2-4-1;2-2-3;..10.....3;1-1-1;1 |
9b7a0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 1b 00 00 00 33 3b 31 2d 32 | -2-3;2-2-3;2-1-19;..11.....3;1-2 |
9b7c0 | 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 32 00 0f 00 00 00 31 3b | -3;2-1-1;2-2-3;2-1-8;..12.....1; |
9b7e0 | 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 16 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d | 1-1-3;2-2-3;..13.....19;1-2-1;1- |
9b800 | 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d | 1-3;2-2-3;..14.....1;1-1-19;2-1- |
9b820 | 31 3b 32 2d 31 2d 33 3b 00 02 31 35 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b | 1;2-1-3;..15.....1;1-1-19;2-1-1; |
9b840 | 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1e 00 00 00 43 4e 43 28 3d 4f 29 4f 63 31 63 | 2-1-3;....smiles.....CNC(=O)Oc1c |
9b860 | 63 28 43 29 63 28 63 28 63 31 29 43 29 4e 28 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 6f | c(C)c(c(c1)C)N(C)C..updated_at.o |
9b880 | 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 bc 7d 7d 46 50 01 00 00 10 64 65 66 61 | .}FP....created_at..}}FP....defa |
9b8a0 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 | ult_fingerprint_size......inchi. |
9b8c0 | 54 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 38 4e 32 4f 32 2f 63 31 2d 38 2d 36 2d 31 | T...InChI=1S/C12H18N2O2/c1-8-6-1 |
9b8e0 | 30 28 31 36 2d 31 32 28 31 35 29 31 33 2d 33 29 37 2d 39 28 32 29 31 31 28 38 29 31 34 28 34 29 | 0(16-12(15)13-3)7-9(2)11(8)14(4) |
9b900 | 35 2f 68 36 2d 37 48 2c 31 2d 35 48 33 2c 28 48 2c 31 33 2c 31 35 29 00 00 10 03 00 00 07 5f 69 | 5/h6-7H,1-5H3,(H,13,15)......._i |
9b920 | 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 ad 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V.$8+r.0.....warnings.......fi |
9b940 | 6e 67 65 72 70 72 69 6e 74 73 00 10 02 00 00 04 4d 50 32 44 00 05 02 00 00 02 30 00 10 00 00 00 | ngerprints......MP2D......0..... |
9b960 | 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 00 02 31 00 1c 00 00 00 32 38 3b 31 2d 31 2d 31 3b | 1;1-1-28;2-1-2;..1.....28;1-1-1; |
9b980 | 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 00 22 00 00 00 32 3b 31 2d 31 2d | 1-1-2;2-1-8;2-1-9;..2."...2;1-1- |
9b9a0 | 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 00 16 | 8;1-1-9;1-1-28;2-1-1;2-1-3;..3.. |
9b9c0 | 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 34 00 22 00 00 00 | ...9;1-1-2;2-1-8;2-1-28;..4."... |
9b9e0 | 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 | 8;1-1-2;1-1-3;2-2-3;2-1-9;2-1-28 |
9ba00 | 3b 00 02 35 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 | ;..5.....3;1-2-3;1-1-8;2-1-2;2-2 |
9ba20 | 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 | -3;..6.....3;1-2-3;2-2-3;2-1-8;. |
9ba40 | 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 | .7.....3;1-2-3;2-2-3;..8.....3;1 |
9ba60 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 39 00 1b 00 00 00 33 3b 31 2d 32 2d 33 | -2-3;2-2-3;2-1-6;..9.....3;1-2-3 |
9ba80 | 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 30 00 1b 00 00 00 33 3b 31 2d | ;1-1-6;2-1-2;2-2-3;..10.....3;1- |
9baa0 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 31 31 00 1c 00 00 00 36 | 2-3;2-2-3;2-1-6;2-1-8;..11.....6 |
9bac0 | 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 32 00 1c | ;1-1-2;1-1-3;2-2-3;2-1-19;..12.. |
9bae0 | 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 | ...2;1-1-6;1-1-19;2-2-1;2-1-3;.. |
9bb00 | 31 33 00 16 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 31 34 | 13.....19;1-2-1;1-1-2;2-1-6;..14 |
9bb20 | 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 35 00 16 | .....1;1-1-19;2-1-1;2-1-2;..15.. |
9bb40 | 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c | ...1;1-1-19;2-1-1;2-1-2;....smil |
9bb60 | 65 73 00 1b 00 00 00 43 4e 43 28 3d 4f 29 4f 63 31 63 63 63 63 28 63 31 29 4e 3d 43 4e 28 43 29 | es.....CNC(=O)Oc1cccc(c1)N=CN(C) |
9bb80 | 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 72 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | C..updated_at.r.}FP....created_a |
9bba0 | 74 00 c2 7d 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t..}}FP....default_fingerprint_s |
9bbc0 | 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 55 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 31 48 | ize......inchi.U...InChI=1S/C11H |
9bbe0 | 31 35 4e 33 4f 32 2f 63 31 2d 31 32 2d 31 31 28 31 35 29 31 36 2d 31 30 2d 36 2d 34 2d 35 2d 39 | 15N3O2/c1-12-11(15)16-10-6-4-5-9 |
9bc00 | 28 37 2d 31 30 29 31 33 2d 38 2d 31 34 28 32 29 33 2f 68 34 2d 38 48 2c 31 2d 33 48 33 2c 28 48 | (7-10)13-8-14(2)3/h4-8H,1-3H3,(H |
9bc20 | 2c 31 32 2c 31 35 29 00 00 6f 04 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 ae 04 77 | ,12,15)..o...._id.V.$8+r.0.....w |
9bc40 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 43 03 00 00 04 | arnings.......fingerprints.C.... |
9bc60 | 4d 50 32 44 00 38 03 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | MP2D.8....0.....15;1-1-3;2-2-3;. |
9bc80 | 02 31 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d | .1.....3;1-2-3;1-1-15;2-2-3;2-1- |
9bca0 | 31 31 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b | 11;..2.....3;1-2-3;2-2-3;2-2-15; |
9bcc0 | 00 02 33 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 | ..3.....3;1-2-3;1-1-15;2-2-3;2-1 |
9bce0 | 2d 31 39 3b 00 02 34 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 24 | -19;..4.....15;1-1-3;2-2-3;..5.$ |
9bd00 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 32 | ...3;1-2-3;1-1-19;2-2-3;2-1-15;2 |
9bd20 | 2d 31 2d 33 30 3b 00 02 36 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | -1-30;..6.....3;1-2-3;2-2-3;2-1- |
9bd40 | 31 31 3b 32 2d 31 2d 31 39 3b 00 02 37 00 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 | 11;2-1-19;..7.$...3;1-2-3;1-1-11 |
9bd60 | 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 35 3b 00 02 38 00 24 00 00 00 31 31 3b | ;2-3-3;2-1-11;2-1-15;..8.$...11; |
9bd80 | 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b | 1-2-3;1-1-11;2-3-3;2-1-9;2-1-11; |
9bda0 | 00 02 39 00 24 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d | ..9.$...11;1-1-3;1-1-11;2-1-1;2- |
9bdc0 | 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 23 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d | 2-3;2-1-11;..10.#...3;1-1-1;1-2- |
9bde0 | 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 2a 00 00 00 31 | 11;2-1-1;2-1-3;2-1-11;..11.*...1 |
9be00 | 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 31 | 1;1-1-1;1-2-3;2-1-1;2-1-9;2-2-11 |
9be20 | 3b 32 2d 32 2d 31 36 3b 00 02 31 32 00 23 00 00 00 33 3b 31 2d 31 2d 39 3b 31 2d 32 2d 31 31 3b | ;2-2-16;..12.#...3;1-1-9;1-2-11; |
9be40 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 33 00 10 00 00 00 39 3b 31 2d | 2-1-1;2-2-3;2-1-11;..13.....9;1- |
9be60 | 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 34 00 17 00 00 00 31 3b 31 2d 31 2d 31 31 3b 31 2d 32 | 1-3;2-2-11;..14.....1;1-1-11;1-2 |
9be80 | 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 31 35 00 18 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d | -16;2-2-3;..15.....16;1-1-1;2-1- |
9bea0 | 31 31 3b 32 2d 31 2d 31 36 3b 00 02 31 36 00 18 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d | 11;2-1-16;..16.....16;1-1-1;2-1- |
9bec0 | 31 31 3b 32 2d 31 2d 31 36 3b 00 02 31 37 00 10 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 | 11;2-1-16;..17.....1;1-1-3;2-2-1 |
9bee0 | 31 3b 00 02 31 38 00 23 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 31 | 1;..18.#...19;1-1-3;1-1-30;2-1-1 |
9bf00 | 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 39 00 1d 00 00 00 33 30 3b 31 2d 31 2d 31 3b 31 | ;2-2-3;2-2-9;..19.....30;1-1-1;1 |
9bf20 | 2d 32 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 00 02 32 30 00 1d 00 00 00 39 3b 31 2d 31 | -2-9;1-1-19;2-1-3;..20.....9;1-1 |
9bf40 | 2d 33 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 32 31 00 1d 00 00 00 | -30;2-1-1;2-1-9;2-1-19;..21..... |
9bf60 | 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 32 32 | 9;1-1-30;2-1-1;2-1-9;2-1-19;..22 |
9bf80 | 00 17 00 00 00 31 3b 31 2d 31 2d 33 30 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 | .....1;1-1-30;2-2-9;2-1-19;....s |
9bfa0 | 6d 69 6c 65 73 00 2f 00 00 00 43 6c 63 31 63 63 28 43 6c 29 63 28 63 63 31 6e 31 6e 63 28 6e 28 | miles./...Clc1cc(Cl)c(cc1n1nc(n( |
9bfc0 | 63 31 3d 4f 29 43 28 46 29 46 29 43 29 4e 53 28 3d 4f 29 28 3d 4f 29 43 00 09 75 70 64 61 74 65 | c1=O)C(F)F)C)NS(=O)(=O)C..update |
9bfe0 | 64 5f 61 74 00 74 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c9 7d 7d 46 50 01 00 | d_at.t.}FP....created_at..}}FP.. |
9c000 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 | ..default_fingerprint_size...... |
9c020 | 69 6e 63 68 69 00 6d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 31 48 31 30 43 6c 32 46 32 4e 34 | inchi.m...InChI=1S/C11H10Cl2F2N4 |
9c040 | 4f 33 53 2f 63 31 2d 35 2d 31 36 2d 31 39 28 31 31 28 32 30 29 31 38 28 35 29 31 30 28 31 34 29 | O3S/c1-5-16-19(11(20)18(5)10(14) |
9c060 | 31 35 29 39 2d 34 2d 38 28 31 37 2d 32 33 28 32 2c 32 31 29 32 32 29 36 28 31 32 29 33 2d 37 28 | 15)9-4-8(17-23(2,21)22)6(12)3-7( |
9c080 | 39 29 31 33 2f 68 33 2d 34 2c 31 30 2c 31 37 48 2c 31 2d 32 48 33 00 00 7f 04 00 00 07 5f 69 64 | 9)13/h3-4,10,17H,1-2H3......._id |
9c0a0 | 00 56 16 24 38 2b 72 ed 30 fb 00 00 af 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V.$8+r.0.....warnings.......fin |
9c0c0 | 67 65 72 70 72 69 6e 74 73 00 53 03 00 00 04 4d 50 32 44 00 48 03 00 00 02 30 00 10 00 00 00 31 | gerprints.S....MP2D.H....0.....1 |
9c0e0 | 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 1e 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | 5;1-1-1;2-1-1;..1.....1;1-1-1;1- |
9c100 | 31 2d 31 35 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 32 38 3b 00 02 32 00 2b 00 00 00 31 3b 31 2d 31 | 1-15;2-1-10;2-1-28;..2.+...1;1-1 |
9c120 | 2d 31 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 32 3b 32 2d 31 2d 31 32 3b 32 2d | -1;1-1-10;1-1-28;2-2-2;2-1-12;2- |
9c140 | 31 2d 31 35 3b 00 02 33 00 29 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 31 2d | 1-15;..3.)...28;1-1-1;1-2-2;2-1- |
9c160 | 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 30 3b 00 02 34 00 28 00 00 00 32 3b 31 | 1;2-2-3;2-2-9;2-1-10;..4.(...2;1 |
9c180 | 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d | -1-3;1-1-9;1-1-28;2-1-1;2-1-2;2- |
9c1a0 | 32 2d 33 3b 00 02 35 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 | 2-3;..5.....9;1-1-2;2-1-3;2-1-28 |
9c1c0 | 3b 00 02 36 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 | ;..6.(...3;1-1-2;1-2-3;2-1-2;2-2 |
9c1e0 | 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 37 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b | -3;2-1-9;2-1-28;..7.(...3;1-1-2; |
9c200 | 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 | 1-2-3;2-1-2;2-2-3;2-1-9;2-1-28;. |
9c220 | 02 38 00 28 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d | .8.(...2;1-1-3;1-1-9;1-1-28;2-1- |
9c240 | 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 39 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d | 1;2-1-2;2-2-3;..9.....9;1-1-2;2- |
9c260 | 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 1-3;2-1-28;..10.....3;1-2-3;2-1- |
9c280 | 32 3b 32 2d 32 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | 2;2-2-3;..11.....3;1-2-3;2-2-3;. |
9c2a0 | 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 15 00 00 00 33 | .12.....3;1-2-3;2-2-3;..13.....3 |
9c2c0 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 34 00 2b 00 00 00 31 30 3b 31 | ;1-2-3;2-1-2;2-2-3;..14.+...10;1 |
9c2e0 | 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 32 | -1-1;1-1-12;2-1-1;2-2-8;2-1-18;2 |
9c300 | 2d 31 2d 32 38 3b 00 02 31 35 00 1e 00 00 00 31 32 3b 31 2d 32 2d 38 3b 31 2d 31 2d 31 30 3b 31 | -1-28;..15.....12;1-2-8;1-1-10;1 |
9c320 | 2d 31 2d 31 38 3b 32 2d 33 2d 31 3b 00 02 31 36 00 18 00 00 00 31 38 3b 31 2d 31 2d 31 32 3b 32 | -1-18;2-3-1;..16.....18;1-1-12;2 |
9c340 | 2d 32 2d 38 3b 32 2d 31 2d 31 30 3b 00 02 31 37 00 2a 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 | -2-8;2-1-10;..17.*...8;1-1-1;1-1 |
9c360 | 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 | -12;2-1-1;2-1-8;2-1-10;2-1-18;.. |
9c380 | 31 38 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 39 | 18.....1;1-1-1;1-1-8;2-1-12;..19 |
9c3a0 | 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 30 00 2a 00 00 00 38 3b 31 2d | .....1;1-1-1;2-1-8;..20.*...8;1- |
9c3c0 | 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d | 1-1;1-1-12;2-1-1;2-1-8;2-1-10;2- |
9c3e0 | 31 2d 31 38 3b 00 02 32 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d | 1-18;..21.....1;1-1-1;1-1-8;2-1- |
9c400 | 31 32 3b 00 02 32 32 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d | 12;..22.....1;1-1-1;2-1-8;....sm |
9c420 | 69 6c 65 73 00 2a 00 00 00 43 6c 43 43 28 4e 31 43 28 3d 4f 29 63 32 63 28 43 31 3d 4f 29 63 63 | iles.*...ClCC(N1C(=O)c2c(C1=O)cc |
9c440 | 63 63 32 29 53 50 28 3d 53 29 28 4f 43 43 29 4f 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 7a | cc2)SP(=S)(OCC)OCC..updated_at.z |
9c460 | 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d2 7d 7d 46 50 01 00 00 10 64 65 66 61 | .}FP....created_at..}}FP....defa |
9c480 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 | ult_fingerprint_size......inchi. |
9c4a0 | 72 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 37 43 6c 4e 4f 34 50 53 32 2f 63 31 2d 33 | r...InChI=1S/C14H17ClNO4PS2/c1-3 |
9c4c0 | 2d 31 39 2d 32 31 28 32 32 2c 32 30 2d 34 2d 32 29 32 33 2d 31 32 28 39 2d 31 35 29 31 36 2d 31 | -19-21(22,20-4-2)23-12(9-15)16-1 |
9c4e0 | 33 28 31 37 29 31 30 2d 37 2d 35 2d 36 2d 38 2d 31 31 28 31 30 29 31 34 28 31 36 29 31 38 2f 68 | 3(17)10-7-5-6-8-11(10)14(16)18/h |
9c500 | 35 2d 38 2c 31 32 48 2c 33 2d 34 2c 39 48 32 2c 31 2d 32 48 33 00 00 e8 05 00 00 07 5f 69 64 00 | 5-8,12H,3-4,9H2,1-2H3......._id. |
9c520 | 56 16 24 38 2b 72 ed 30 fb 00 00 b0 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V.$8+r.0.....warnings.......fing |
9c540 | 65 72 70 72 69 6e 74 73 00 77 04 00 00 04 4d 50 32 44 00 6c 04 00 00 02 30 00 17 00 00 00 31 36 | erprints.w....MP2D.l....0.....16 |
9c560 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 31 00 16 00 00 00 31 3b 31 2d | ;1-1-1;2-1-3;2-2-16;..1.....1;1- |
9c580 | 31 2d 33 3b 31 2d 33 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 32 00 1c 00 00 00 33 3b 31 2d 31 2d 31 | 1-3;1-3-16;2-2-3;..2.....3;1-1-1 |
9c5a0 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 33 00 15 00 00 00 33 3b 31 2d | ;1-2-3;2-2-3;2-3-16;..3.....3;1- |
9c5c0 | 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | 2-3;2-1-1;2-2-3;..4.....3;1-2-3; |
9c5e0 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 35 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d | 2-1-2;2-2-3;..5.....3;1-1-2;1-2- |
9c600 | 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 3;2-1-2;2-2-3;..6.....3;1-2-3;2- |
9c620 | 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b | 1-2;2-2-3;..7.....3;1-2-3;2-1-1; |
9c640 | 32 2d 32 2d 33 3b 00 02 38 00 1b 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d | 2-2-3;..8.....2;1-1-2;1-1-3;2-1- |
9c660 | 32 3b 32 2d 32 2d 33 3b 00 02 39 00 1b 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 32 3b 32 2d | 2;2-2-3;..9.....2;1-2-2;2-1-2;2- |
9c680 | 31 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 30 00 1b 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 36 | 1-3;2-1-6;..10.....2;1-2-2;1-1-6 |
9c6a0 | 3b 32 2d 32 2d 32 3b 32 2d 31 2d 36 3b 00 02 31 31 00 1c 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d | ;2-2-2;2-1-6;..11.....6;1-1-2;1- |
9c6c0 | 31 2d 36 3b 32 2d 32 2d 32 3b 32 2d 31 2d 33 33 3b 00 02 31 32 00 1d 00 00 00 36 3b 31 2d 31 2d | 1-6;2-2-2;2-1-33;..12.....6;1-1- |
9c6e0 | 36 3b 31 2d 31 2d 33 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 31 39 3b 00 02 31 33 00 1d 00 00 00 33 | 6;1-1-33;2-1-2;2-2-19;..13.....3 |
9c700 | 33 3b 31 2d 31 2d 36 3b 31 2d 32 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 34 00 | 3;1-1-6;1-2-19;2-2-1;2-1-6;..14. |
9c720 | 24 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b | $...19;1-1-1;1-1-33;2-1-1;2-1-6; |
9c740 | 32 2d 31 2d 31 39 3b 00 02 31 35 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 | 2-1-19;..15.....1;1-1-1;1-1-19;2 |
9c760 | 2d 33 2d 31 3b 32 2d 31 2d 33 33 3b 00 02 31 36 00 10 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 32 | -3-1;2-1-33;..16.....1;1-4-1;2-2 |
9c780 | 2d 31 39 3b 00 02 31 37 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 33 2d | -19;..17.....1;1-1-1;1-1-19;2-3- |
9c7a0 | 31 3b 32 2d 31 2d 33 33 3b 00 02 31 38 00 24 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 | 1;2-1-33;..18.$...19;1-1-1;1-1-3 |
9c7c0 | 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 39 00 0f 00 00 00 31 3b | 3;2-1-1;2-1-6;2-1-19;..19.....1; |
9c7e0 | 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 32 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 | 1-1-1;2-3-1;..20.....1;1-1-1;2-3 |
9c800 | 2d 31 3b 00 02 32 31 00 1b 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b | -1;..21.....2;1-2-2;2-1-2;2-1-3; |
9c820 | 32 2d 31 2d 36 3b 00 02 32 32 00 1b 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 | 2-1-6;..22.....2;1-1-2;1-1-3;2-1 |
9c840 | 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 33 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b | -2;2-2-3;..23.....3;1-1-2;1-2-3; |
9c860 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | 2-1-2;2-2-3;..24.....3;1-2-3;2-1 |
9c880 | 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b | -2;2-2-3;..25.....3;1-2-3;2-1-1; |
9c8a0 | 32 2d 32 2d 33 3b 00 02 32 36 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 | 2-2-3;..26.....3;1-1-1;1-2-3;2-2 |
9c8c0 | 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 32 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 | -3;2-3-16;..27.....3;1-2-3;2-1-1 |
9c8e0 | 3b 32 2d 32 2d 33 3b 00 02 32 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d | ;2-2-3;..28.....3;1-2-3;2-1-2;2- |
9c900 | 32 2d 33 3b 00 02 32 39 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 3b 32 2d 32 2d | 2-3;..29.....1;1-1-3;1-3-16;2-2- |
9c920 | 33 3b 00 02 33 30 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 | 3;..30.....16;1-1-1;2-1-3;2-2-16 |
9c940 | 3b 00 02 33 31 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b | ;..31.....16;1-1-1;2-1-3;2-2-16; |
9c960 | 00 02 33 32 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 | ..32.....16;1-1-1;2-1-3;2-2-16;. |
9c980 | 02 33 33 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 | .33.....16;1-1-1;2-1-3;2-2-16;.. |
9c9a0 | 33 34 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 00 00 | 34.....16;1-1-1;2-1-3;2-2-16;... |
9c9c0 | 02 73 6d 69 6c 65 73 00 40 00 00 00 46 43 28 63 31 63 63 63 28 63 63 31 29 43 3d 43 43 28 3d 4e | .smiles.@...FC(c1ccc(cc1)C=CC(=N |
9c9e0 | 4e 3d 43 31 4e 43 43 28 43 4e 31 29 28 43 29 43 29 43 3d 43 63 31 63 63 63 28 63 63 31 29 43 28 | N=C1NCC(CN1)(C)C)C=Cc1ccc(cc1)C( |
9ca00 | 46 29 28 46 29 46 29 28 46 29 46 00 09 75 70 64 61 74 65 64 5f 61 74 00 7d 89 7d 46 50 01 00 00 | F)(F)F)(F)F..updated_at.}.}FP... |
9ca20 | 09 63 72 65 61 74 65 64 5f 61 74 00 dc 7d 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at..}}FP....default_fin |
9ca40 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 a1 00 00 00 49 6e 43 | gerprint_size......inchi.....InC |
9ca60 | 68 49 3d 31 53 2f 43 32 35 48 32 34 46 36 4e 34 2f 63 31 2d 32 33 28 32 29 31 35 2d 33 32 2d 32 | hI=1S/C25H24F6N4/c1-23(2)15-32-2 |
9ca80 | 32 28 33 33 2d 31 36 2d 32 33 29 33 35 2d 33 34 2d 32 31 28 31 33 2d 37 2d 31 37 2d 33 2d 39 2d | 2(33-16-23)35-34-21(13-7-17-3-9- |
9caa0 | 31 39 28 31 30 2d 34 2d 31 37 29 32 34 28 32 36 2c 32 37 29 32 38 29 31 34 2d 38 2d 31 38 2d 35 | 19(10-4-17)24(26,27)28)14-8-18-5 |
9cac0 | 2d 31 31 2d 32 30 28 31 32 2d 36 2d 31 38 29 32 35 28 32 39 2c 33 30 29 33 31 2f 68 33 2d 31 34 | -11-20(12-6-18)25(29,30)31/h3-14 |
9cae0 | 48 2c 31 35 2d 31 36 48 32 2c 31 2d 32 48 33 2c 28 48 32 2c 33 32 2c 33 33 2c 33 35 29 00 00 cd | H,15-16H2,1-2H3,(H2,32,33,35)... |
9cb00 | 04 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 b1 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V.$8+r.0.....warnings... |
9cb20 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 8f 03 00 00 04 4d 50 32 44 00 84 03 00 00 02 | ....fingerprints......MP2D...... |
9cb40 | 30 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 1b 00 | 0.....9;1-1-2;2-1-1;2-1-8;..1... |
9cb60 | 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b 00 02 32 00 | ..2;1-1-1;1-1-8;1-1-9;2-3-1;..2. |
9cb80 | 27 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d | '...1;1-2-1;1-1-2;2-4-1;2-1-2;2- |
9cba0 | 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b | 1-8;2-1-9;..3.....1;1-2-1;1-1-2; |
9cbc0 | 32 2d 34 2d 31 3b 32 2d 32 2d 32 3b 00 02 34 00 15 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 32 2d | 2-4-1;2-2-2;..4.....1;1-4-1;2-2- |
9cbe0 | 31 3b 32 2d 32 2d 32 3b 00 02 35 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 | 1;2-2-2;..5.....1;1-1-1;2-3-1;.. |
9cc00 | 36 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 37 00 1c 00 00 00 32 3b 31 2d | 6.....1;1-1-1;2-3-1;..7.....2;1- |
9cc20 | 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 38 00 23 00 00 00 32 | 1-1;1-1-2;2-3-1;2-1-15;..8.#...2 |
9cc40 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 33 2d 31 36 | ;1-1-1;1-1-2;1-1-15;2-1-1;2-3-16 |
9cc60 | 3b 00 02 39 00 1d 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 33 2d 31 36 3b 32 2d 31 2d 32 3b 32 2d | ;..9.....1;1-1-2;1-3-16;2-1-2;2- |
9cc80 | 31 2d 31 35 3b 00 02 31 30 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 | 1-15;..10.....16;1-1-1;2-1-2;2-2 |
9cca0 | 2d 31 36 3b 00 02 31 31 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d | -16;..11.....16;1-1-1;2-1-2;2-2- |
9ccc0 | 31 36 3b 00 02 31 32 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 31 | 16;..12.....16;1-1-1;2-1-2;2-2-1 |
9cce0 | 36 3b 00 02 31 33 00 16 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b | 6;..13.....15;1-1-2;2-1-1;2-1-2; |
9cd00 | 00 02 31 34 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 | ..14.!...8;1-1-1;1-1-2;2-1-1;2-1 |
9cd20 | 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 35 00 1b 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b | -3;2-1-9;..15.....1;1-1-3;1-1-8; |
9cd40 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 36 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 | 2-1-2;2-2-3;..16."...3;1-1-1;1-2 |
9cd60 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 36 3b 00 02 31 37 00 23 00 00 00 33 | -3;2-2-3;2-1-8;2-2-16;..17.#...3 |
9cd80 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 36 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 | ;1-2-3;1-1-16;2-1-1;2-2-3;2-1-16 |
9cda0 | 3b 00 02 31 38 00 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 39 00 23 00 | ;..18.....16;1-1-3;2-2-3;..19.#. |
9cdc0 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 36 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 | ..3;1-2-3;1-1-16;2-1-1;2-2-3;2-1 |
9cde0 | 2d 31 36 3b 00 02 32 30 00 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 31 | -16;..20.....16;1-1-3;2-2-3;..21 |
9ce00 | 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 36 3b | .....3;1-1-1;1-2-3;2-2-3;2-2-16; |
9ce20 | 00 02 32 32 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 36 3b 32 2d 31 2d 31 3b 32 2d | ..22.#...3;1-2-3;1-1-16;2-1-1;2- |
9ce40 | 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 32 33 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 2-3;2-1-16;..23.#...3;1-2-3;1-1- |
9ce60 | 31 36 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 32 34 00 10 00 00 00 31 | 16;2-1-1;2-2-3;2-1-16;..24.....1 |
9ce80 | 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 35 00 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b | 6;1-1-3;2-2-3;..25.....16;1-1-3; |
9cea0 | 32 2d 32 2d 33 3b 00 02 32 36 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 | 2-2-3;..26.....1;1-1-3;2-2-3;... |
9cec0 | 02 73 6d 69 6c 65 73 00 37 00 00 00 4f 3d 43 28 43 31 43 28 43 31 28 43 29 43 29 43 3d 43 28 43 | .smiles.7...O=C(C1C(C1(C)C)C=C(C |
9cee0 | 28 46 29 28 46 29 46 29 43 6c 29 4f 43 63 31 63 28 46 29 63 28 46 29 63 28 63 28 63 31 46 29 46 | (F)(F)F)Cl)OCc1c(F)c(F)c(c(c1F)F |
9cf00 | 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 80 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | )C..updated_at...}FP....created_ |
9cf20 | 61 74 00 e3 7d 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at..}}FP....default_fingerprint_ |
9cf40 | 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 77 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 37 | size......inchi.w...InChI=1S/C17 |
9cf60 | 48 31 34 43 6c 46 37 4f 32 2f 63 31 2d 36 2d 31 31 28 31 39 29 31 33 28 32 31 29 37 28 31 34 28 | H14ClF7O2/c1-6-11(19)13(21)7(14( |
9cf80 | 32 32 29 31 32 28 36 29 32 30 29 35 2d 32 37 2d 31 35 28 32 36 29 31 30 2d 38 28 31 36 28 31 30 | 22)12(6)20)5-27-15(26)10-8(16(10 |
9cfa0 | 2c 32 29 33 29 34 2d 39 28 31 38 29 31 37 28 32 33 2c 32 34 29 32 35 2f 68 34 2c 38 2c 31 30 48 | ,2)3)4-9(18)17(23,24)25/h4,8,10H |
9cfc0 | 2c 35 48 32 2c 31 2d 33 48 33 00 00 c6 03 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 | ,5H2,1-3H3......._id.V.$8+r.0... |
9cfe0 | b2 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b4 02 | ..warnings.......fingerprints... |
9d000 | 00 00 04 4d 50 32 44 00 a9 02 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d | ...MP2D......0.....1;1-1-19;2-2- |
9d020 | 32 3b 00 02 31 00 16 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 32 2d 36 3b 00 | 2;..1.....19;1-1-1;1-2-2;2-2-6;. |
9d040 | 02 32 00 22 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d | .2."...2;1-1-6;1-1-19;2-1-1;2-1- |
9d060 | 32 3b 32 2d 31 2d 33 3b 00 02 33 00 1c 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d | 2;2-1-3;..3.....6;1-1-2;1-1-3;2- |
9d080 | 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 34 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 | 2-3;2-1-19;..4.!...3;1-2-3;1-1-6 |
9d0a0 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 | ;2-1-1;2-1-2;2-2-3;..5.....3;1-2 |
9d0c0 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | -3;2-2-3;2-1-6;..6.....3;1-2-3;2 |
9d0e0 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 | -1-1;2-2-3;..7.....3;1-1-1;1-2-3 |
9d100 | 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 | ;2-2-3;..8.....3;1-2-3;2-2-1;2-2 |
9d120 | 2d 33 3b 00 02 39 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | -3;..9.....3;1-1-1;1-2-3;2-2-3;2 |
9d140 | 2d 31 2d 36 3b 00 02 31 30 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 | -1-6;..10.....1;1-1-3;2-2-3;..11 |
9d160 | 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 22 00 00 00 32 3b 31 2d | .....1;1-1-3;2-2-3;..12."...2;1- |
9d180 | 31 2d 36 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 | 1-6;1-1-19;2-1-1;2-1-2;2-1-3;..1 |
9d1a0 | 33 00 1c 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 | 3.....6;1-1-2;1-1-3;2-2-3;2-1-19 |
9d1c0 | 3b 00 02 31 34 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d | ;..14.!...3;1-2-3;1-1-6;2-1-1;2- |
9d1e0 | 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 1-2;2-2-3;..15.....3;1-2-3;2-2-3 |
9d200 | 3b 32 2d 31 2d 36 3b 00 02 31 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | ;2-1-6;..16.....3;1-2-3;2-1-1;2- |
9d220 | 32 2d 33 3b 00 02 31 37 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 2-3;..17.....3;1-1-1;1-2-3;2-2-3 |
9d240 | 3b 00 02 31 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 | ;..18.....3;1-2-3;2-2-1;2-2-3;.. |
9d260 | 31 39 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 | 19.....3;1-1-1;1-2-3;2-2-3;2-1-6 |
9d280 | 3b 00 02 32 30 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 31 00 0f 00 00 | ;..20.....1;1-1-3;2-2-3;..21.... |
9d2a0 | 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 23 00 00 00 43 4e | .1;1-1-3;2-2-3;....smiles.#...CN |
9d2c0 | 28 43 3d 4e 63 31 63 63 63 28 63 63 31 43 29 43 29 43 3d 4e 63 31 63 63 63 28 63 63 31 43 29 43 | (C=Nc1ccc(cc1C)C)C=Nc1ccc(cc1C)C |
9d2e0 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 26 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.&.}FP....created_at |
9d300 | 00 ea 7d 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | ..}}FP....default_fingerprint_si |
9d320 | 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 5f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 39 48 32 | ze......inchi._...InChI=1S/C19H2 |
9d340 | 33 4e 33 2f 63 31 2d 31 34 2d 36 2d 38 2d 31 38 28 31 36 28 33 29 31 30 2d 31 34 29 32 30 2d 31 | 3N3/c1-14-6-8-18(16(3)10-14)20-1 |
9d360 | 32 2d 32 32 28 35 29 31 33 2d 32 31 2d 31 39 2d 39 2d 37 2d 31 35 28 32 29 31 31 2d 31 37 28 31 | 2-22(5)13-21-19-9-7-15(2)11-17(1 |
9d380 | 39 29 34 2f 68 36 2d 31 33 48 2c 31 2d 35 48 33 00 00 32 03 00 00 07 5f 69 64 00 56 16 24 38 2b | 9)4/h6-13H,1-5H3..2...._id.V.$8+ |
9d3a0 | 72 ed 30 fb 00 00 b3 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.0.....warnings.......fingerpri |
9d3c0 | 6e 74 73 00 32 02 00 00 04 4d 50 32 44 00 27 02 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 31 | nts.2....MP2D.'....0.....1;1-1-1 |
9d3e0 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d | ;2-1-1;2-1-28;..1.....1;1-2-1;1- |
9d400 | 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 23 00 00 00 32 38 3b 31 2d 32 2d | 1-28;2-1-1;2-1-2;..2.#...28;1-2- |
9d420 | 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 30 3b 00 02 33 00 1d | 1;1-1-2;2-4-1;2-1-9;2-1-10;..3.. |
9d440 | 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 00 | ...2;1-1-9;1-1-10;1-1-28;2-3-1;. |
9d460 | 02 34 00 17 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 32 38 3b 00 02 35 | .4.....9;1-1-2;2-1-10;2-1-28;..5 |
9d480 | 00 23 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b | .#...10;1-1-1;1-1-2;2-1-2;2-1-9; |
9d4a0 | 32 2d 31 2d 32 38 3b 00 02 36 00 1d 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 30 3b 32 2d | 2-1-28;..6.....1;1-1-2;1-1-10;2- |
9d4c0 | 32 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 37 00 24 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | 2-2;2-1-15;..7.$...2;1-1-1;1-1-2 |
9d4e0 | 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 30 3b 32 2d 32 2d 31 35 3b 00 02 38 00 1d 00 00 00 32 3b | ;1-1-15;2-1-10;2-2-15;..8.....2; |
9d500 | 31 2d 31 2d 32 3b 31 2d 32 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 39 00 17 00 | 1-1-2;1-2-15;2-1-1;2-1-15;..9... |
9d520 | 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 31 30 00 17 00 00 | ..15;1-1-2;2-1-2;2-1-15;..10.... |
9d540 | 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 31 31 00 16 00 00 00 | .15;1-1-2;2-1-2;2-1-15;..11..... |
9d560 | 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 32 00 1c 00 00 00 31 3b | 15;1-1-2;2-1-1;2-1-2;..12.....1; |
9d580 | 31 2d 32 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 33 00 16 00 | 1-2-1;1-1-28;2-1-1;2-1-2;..13... |
9d5a0 | 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 34 00 16 00 00 00 | ..1;1-1-1;2-1-1;2-1-28;..14..... |
9d5c0 | 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 35 00 16 00 00 00 31 3b | 1;1-1-1;2-1-1;2-1-28;..15.....1; |
9d5e0 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 22 00 | 1-1-1;2-1-1;2-1-28;....smiles.". |
9d600 | 00 00 43 43 28 4e 28 43 28 3d 4f 29 53 43 43 28 3d 43 28 43 6c 29 43 6c 29 43 6c 29 43 28 43 29 | ..CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C) |
9d620 | 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 85 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 | C)C..updated_at...}FP....created |
9d640 | 5f 61 74 00 f3 7d 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at..}}FP....default_fingerprint |
9d660 | 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 4e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 | _size......inchi.N...InChI=1S/C1 |
9d680 | 30 48 31 36 43 6c 33 4e 4f 53 2f 63 31 2d 36 28 32 29 31 34 28 37 28 33 29 34 29 31 30 28 31 35 | 0H16Cl3NOS/c1-6(2)14(7(3)4)10(15 |
9d6a0 | 29 31 36 2d 35 2d 38 28 31 31 29 39 28 31 32 29 31 33 2f 68 36 2d 37 48 2c 35 48 32 2c 31 2d 34 | )16-5-8(11)9(12)13/h6-7H,5H2,1-4 |
9d6c0 | 48 33 00 00 08 05 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 b4 04 77 61 72 6e 69 6e | H3......._id.V.$8+r.0.....warnin |
9d6e0 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b5 03 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
9d700 | aa 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 16 00 00 | .....0.....1;1-1-8;2-1-3;..1.... |
9d720 | 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 32 00 1c 00 00 00 33 3b | .8;1-1-1;1-1-3;2-2-11;..2.....3; |
9d740 | 31 2d 31 2d 38 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 1e 00 00 | 1-1-8;1-2-11;2-1-1;2-2-3;..3.... |
9d760 | 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 | .11;1-2-3;2-1-8;2-2-11;2-1-28;.. |
9d780 | 34 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d | 4.....3;1-2-11;1-1-28;2-1-2;2-2- |
9d7a0 | 33 3b 00 02 35 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 31 3b | 3;..5.....11;1-2-3;2-1-1;2-2-11; |
9d7c0 | 32 2d 31 2d 32 38 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 31 31 3b 32 2d | 2-1-28;..6.....3;1-1-1;1-2-11;2- |
9d7e0 | 32 2d 33 3b 00 02 37 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 | 2-3;..7.....11;1-2-3;2-1-1;2-1-8 |
9d800 | 3b 32 2d 32 2d 31 31 3b 00 02 38 00 10 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 | ;2-2-11;..8.....1;1-1-3;2-2-11;. |
9d820 | 02 39 00 24 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 32 2d | .9.$...28;1-1-2;1-1-3;2-1-9;2-2- |
9d840 | 31 31 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 1d 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 32 2d 32 | 11;2-1-28;..10.....2;1-1-9;1-2-2 |
9d860 | 38 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 31 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b | 8;2-1-3;2-1-30;..11.....9;1-1-2; |
9d880 | 32 2d 32 2d 32 38 3b 00 02 31 32 00 24 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 30 3b | 2-2-28;..12.$...28;1-1-2;1-1-30; |
9d8a0 | 32 2d 31 2d 33 3b 32 2d 33 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 23 00 00 00 33 30 3b 31 | 2-1-3;2-3-9;2-1-28;..13.#...30;1 |
9d8c0 | 2d 31 2d 33 3b 31 2d 32 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 | -1-3;1-2-9;1-1-28;2-1-2;2-2-3;.. |
9d8e0 | 31 34 00 1d 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d | 14.....9;1-1-30;2-1-3;2-1-9;2-1- |
9d900 | 32 38 3b 00 02 31 35 00 1d 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 | 28;..15.....9;1-1-30;2-1-3;2-1-9 |
9d920 | 3b 32 2d 31 2d 32 38 3b 00 02 31 36 00 29 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 33 30 3b | ;2-1-28;..16.)...3;1-2-3;1-1-30; |
9d940 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 37 00 16 00 | 2-1-1;2-2-3;2-2-9;2-1-28;..17... |
9d960 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 38 00 0f 00 00 00 | ..3;1-2-3;2-2-3;2-1-30;..18..... |
9d980 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-2-3;2-2-3;..19.....3;1-2-3;2 |
9d9a0 | 2d 32 2d 33 3b 00 02 32 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | -2-3;..20.....3;1-2-3;2-1-1;2-2- |
9d9c0 | 33 3b 00 02 32 31 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 | 3;..21."...3;1-1-1;1-2-3;2-1-1;2 |
9d9e0 | 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 32 32 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | -2-3;2-1-30;..22.....1;1-1-1;1-1 |
9da00 | 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 33 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b | -3;2-1-1;2-2-3;..23.....1;1-2-1; |
9da20 | 32 2d 31 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 32 34 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | 2-1-3;2-3-16;..24.....1;1-1-1;1- |
9da40 | 33 2d 31 36 3b 32 2d 31 2d 31 3b 00 02 32 35 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 | 3-16;2-1-1;..25.....16;1-1-1;2-1 |
9da60 | 2d 31 3b 32 2d 32 2d 31 36 3b 00 02 32 36 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d | -1;2-2-16;..26.....16;1-1-1;2-1- |
9da80 | 31 3b 32 2d 32 2d 31 36 3b 00 02 32 37 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 | 1;2-2-16;..27.....16;1-1-1;2-1-1 |
9daa0 | 3b 32 2d 32 2d 31 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 32 00 00 00 43 4f 63 31 6e 63 28 6e 63 | ;2-2-16;....smiles.2...COc1nc(nc |
9dac0 | 28 6e 31 29 43 29 4e 43 28 3d 4f 29 4e 53 28 3d 4f 29 28 3d 4f 29 63 31 63 63 63 63 63 31 43 43 | (n1)C)NC(=O)NS(=O)(=O)c1ccccc1CC |
9dae0 | 43 28 46 29 28 46 29 46 00 09 75 70 64 61 74 65 64 5f 61 74 00 8b 89 7d 46 50 01 00 00 09 63 72 | C(F)(F)F..updated_at...}FP....cr |
9db00 | 65 61 74 65 64 5f 61 74 00 fe 7d 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at..}}FP....default_finger |
9db20 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 91 00 00 00 49 6e 43 68 49 3d | print_size......inchi.....InChI= |
9db40 | 31 53 2f 43 31 35 48 31 36 46 33 4e 35 4f 34 53 2f 63 31 2d 39 2d 31 39 2d 31 32 28 32 32 2d 31 | 1S/C15H16F3N5O4S/c1-9-19-12(22-1 |
9db60 | 34 28 32 30 2d 39 29 32 37 2d 32 29 32 31 2d 31 33 28 32 34 29 32 33 2d 32 38 28 32 35 2c 32 36 | 4(20-9)27-2)21-13(24)23-28(25,26 |
9db80 | 29 31 31 2d 36 2d 34 2d 33 2d 35 2d 31 30 28 31 31 29 37 2d 38 2d 31 35 28 31 36 2c 31 37 29 31 | )11-6-4-3-5-10(11)7-8-15(16,17)1 |
9dba0 | 38 2f 68 33 2d 36 48 2c 37 2d 38 48 32 2c 31 2d 32 48 33 2c 28 48 32 2c 31 39 2c 32 30 2c 32 31 | 8/h3-6H,7-8H2,1-2H3,(H2,19,20,21 |
9dbc0 | 2c 32 32 2c 32 33 2c 32 34 29 00 00 5c 03 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 | ,22,23,24)..\...._id.V.$8+r.0... |
9dbe0 | b5 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 5d 02 | ..warnings.......fingerprints.]. |
9dc00 | 00 00 04 4d 50 32 44 00 52 02 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 | ...MP2D.R....0.....1;1-1-1;2-1-1 |
9dc20 | 3b 32 2d 31 2d 32 38 3b 00 02 31 00 1d 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 38 3b 32 | ;2-1-28;..1.....1;1-2-1;1-1-28;2 |
9dc40 | 2d 31 2d 32 3b 32 2d 31 2d 33 30 3b 00 02 32 00 30 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 | -1-2;2-1-30;..2.0...28;1-1-1;1-1 |
9dc60 | 2d 32 3b 31 2d 31 2d 33 30 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 33 2d 39 3b 32 2d 31 2d | -2;1-1-30;2-2-1;2-1-3;2-3-9;2-1- |
9dc80 | 31 39 3b 00 02 33 00 29 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b | 19;..3.)...2;1-1-3;1-1-9;1-1-28; |
9dca0 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 34 00 16 00 00 00 39 3b 31 2d 31 | 2-1-1;2-2-3;2-1-30;..4.....9;1-1 |
9dcc0 | 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 35 00 29 00 00 00 33 3b 31 2d 31 2d 32 3b | -2;2-1-3;2-1-28;..5.)...3;1-1-2; |
9dce0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 32 2d 31 2d 32 38 3b | 1-2-3;2-2-3;2-1-9;2-1-19;2-1-28; |
9dd00 | 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 | ..6.....3;1-2-3;2-1-2;2-2-3;..7. |
9dd20 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d | ....3;1-2-3;2-2-3;..8.....3;1-2- |
9dd40 | 33 3b 32 2d 32 2d 33 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | 3;2-2-3;..9.....3;1-2-3;2-2-3;2- |
9dd60 | 31 2d 31 39 3b 00 02 31 30 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 | 1-19;..10.#...3;1-2-3;1-1-19;2-1 |
9dd80 | 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 31 00 24 00 00 00 31 39 3b 31 2d 31 2d | -2;2-2-3;2-1-30;..11.$...19;1-1- |
9dda0 | 33 3b 31 2d 31 2d 33 30 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 32 | 3;1-1-30;2-2-3;2-2-9;2-1-28;..12 |
9ddc0 | 00 2a 00 00 00 33 30 3b 31 2d 32 2d 39 3b 31 2d 31 2d 31 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d | .*...30;1-2-9;1-1-19;1-1-28;2-1- |
9dde0 | 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 33 00 1e 00 00 00 39 3b 31 2d 31 2d 33 30 3b | 1;2-1-2;2-1-3;..13.....9;1-1-30; |
9de00 | 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 32 2d 31 2d 32 38 3b 00 02 31 34 00 1e 00 00 00 39 3b 31 | 2-1-9;2-1-19;2-1-28;..14.....9;1 |
9de20 | 2d 31 2d 33 30 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 32 2d 31 2d 32 38 3b 00 02 31 35 00 16 | -1-30;2-1-9;2-1-19;2-1-28;..15.. |
9de40 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 6d 69 6c | ...1;1-1-1;2-1-1;2-1-28;....smil |
9de60 | 65 73 00 1e 00 00 00 43 43 28 4e 31 43 28 3d 4f 29 63 32 63 63 63 63 63 32 4e 53 31 28 3d 4f 29 | es.....CC(N1C(=O)c2ccccc2NS1(=O) |
9de80 | 3d 4f 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 2d 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 | =O)C..updated_at.-.}FP....create |
9dea0 | 64 5f 61 74 00 04 7e 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at..~}FP....default_fingerprin |
9dec0 | 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 51 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.Q...InChI=1S/C |
9dee0 | 31 30 48 31 32 4e 32 4f 33 53 2f 63 31 2d 37 28 32 29 31 32 2d 31 30 28 31 33 29 38 2d 35 2d 33 | 10H12N2O3S/c1-7(2)12-10(13)8-5-3 |
9df00 | 2d 34 2d 36 2d 39 28 38 29 31 31 2d 31 36 28 31 32 2c 31 34 29 31 35 2f 68 33 2d 37 2c 31 31 48 | -4-6-9(8)11-16(12,14)15/h3-7,11H |
9df20 | 2c 31 2d 32 48 33 00 00 91 02 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 b6 04 77 61 | ,1-2H3......._id.V.$8+r.0.....wa |
9df40 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a9 01 00 00 04 4d | rnings.......fingerprints......M |
9df60 | 50 32 44 00 9e 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 00 02 | P2D......0.....1;1-1-28;2-1-2;.. |
9df80 | 31 00 1c 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 | 1.....28;1-1-1;1-1-2;2-1-8;2-1-9 |
9dfa0 | 3b 00 02 32 00 22 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d | ;..2."...2;1-1-8;1-1-9;1-1-28;2- |
9dfc0 | 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 33 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b | 1-1;2-1-6;..3.....9;1-1-2;2-1-8; |
9dfe0 | 32 2d 31 2d 32 38 3b 00 02 34 00 22 00 00 00 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 | 2-1-28;..4."...8;1-1-2;1-1-6;2-1 |
9e000 | 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 35 00 1b 00 00 00 36 3b 31 2d 31 2d 32 3b | -2;2-1-9;2-1-28;..5.....6;1-1-2; |
9e020 | 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 36 00 22 00 00 00 32 3b 31 2d 31 2d | 1-1-8;2-1-1;2-1-2;..6."...2;1-1- |
9e040 | 31 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 00 02 37 00 22 | 1;1-1-6;2-2-1;2-1-8;2-1-10;..7." |
9e060 | 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d | ...1;1-2-1;1-1-2;1-1-10;2-1-1;2- |
9e080 | 31 2d 36 3b 00 02 38 00 16 00 00 00 31 30 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 | 1-6;..8.....10;1-2-1;2-2-1;2-1-2 |
9e0a0 | 3b 00 02 39 00 10 00 00 00 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 00 02 31 30 00 1c 00 00 | ;..9.....1;1-1-10;2-1-1;..10.... |
9e0c0 | 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 30 3b 00 02 31 31 | .1;1-1-1;2-1-1;2-1-2;2-1-10;..11 |
9e0e0 | 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 30 3b | .....1;1-1-1;2-1-1;2-1-2;2-1-10; |
9e100 | 00 00 00 02 73 6d 69 6c 65 73 00 15 00 00 00 43 4e 43 28 3d 4f 29 4f 4e 3d 43 43 28 53 43 29 28 | ....smiles.....CNC(=O)ON=CC(SC)( |
9e120 | 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 93 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 | C)C..updated_at...}FP....created |
9e140 | 5f 61 74 00 0e 7e 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at..~}FP....default_fingerprint |
9e160 | 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 43 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 | _size......inchi.C...InChI=1S/C7 |
9e180 | 48 31 34 4e 32 4f 32 53 2f 63 31 2d 37 28 32 2c 31 32 2d 34 29 35 2d 39 2d 31 31 2d 36 28 31 30 | H14N2O2S/c1-7(2,12-4)5-9-11-6(10 |
9e1a0 | 29 38 2d 33 2f 68 35 48 2c 31 2d 34 48 33 2c 28 48 2c 38 2c 31 30 29 00 00 1a 03 00 00 07 5f 69 | )8-3/h5H,1-4H3,(H,8,10)......._i |
9e1c0 | 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 b7 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V.$8+r.0.....warnings.......fi |
9e1e0 | 6e 67 65 72 70 72 69 6e 74 73 00 1b 02 00 00 04 4d 50 32 44 00 10 02 00 00 02 30 00 10 00 00 00 | ngerprints......MP2D......0..... |
9e200 | 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 15;1-1-3;2-2-3;..1.....3;1-2-3;1 |
9e220 | 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -1-15;2-2-3;..2.....3;1-2-3;2-2- |
9e240 | 33 3b 32 2d 32 2d 31 35 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b | 3;2-2-15;..3.....3;1-2-3;1-1-15; |
9e260 | 32 2d 32 2d 33 3b 00 02 34 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 | 2-2-3;..4.....15;1-1-3;2-2-3;..5 |
9e280 | 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b | .....3;1-2-3;2-1-1;2-2-3;2-1-15; |
9e2a0 | 00 02 36 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d | ..6.!...3;1-1-1;1-2-3;2-2-1;2-2- |
9e2c0 | 33 3b 32 2d 31 2d 38 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | 3;2-1-8;..7.....3;1-2-3;2-1-1;2- |
9e2e0 | 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 38 00 27 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 | 2-3;2-1-15;..8.'...1;1-2-1;1-1-3 |
9e300 | 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 21 00 00 | ;1-1-8;2-2-1;2-2-3;2-1-8;..9.!.. |
9e320 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 | .1;1-1-1;1-1-8;2-2-1;2-1-3;2-1-8 |
9e340 | 3b 00 02 31 30 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 33 3b 00 02 | ;..10.....8;1-2-1;2-3-1;2-1-3;.. |
9e360 | 31 31 00 22 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 | 11."...1;1-2-1;2-1-1;2-1-3;2-1-8 |
9e380 | 3b 32 2d 33 2d 31 35 3b 00 02 31 32 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 33 2d 31 35 3b | ;2-3-15;..12.....1;1-1-1;1-3-15; |
9e3a0 | 32 2d 31 2d 31 3b 00 02 31 33 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d | 2-1-1;..13.....15;1-1-1;2-1-1;2- |
9e3c0 | 32 2d 31 35 3b 00 02 31 34 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 | 2-15;..14.....15;1-1-1;2-1-1;2-2 |
9e3e0 | 2d 31 35 3b 00 02 31 35 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d | -15;..15.....15;1-1-1;2-1-1;2-2- |
9e400 | 31 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 24 00 00 00 43 6c 63 31 63 63 28 43 6c 29 63 63 28 63 | 15;....smiles.$...Clc1cc(Cl)cc(c |
9e420 | 31 29 43 31 28 43 4f 31 29 43 43 28 43 6c 29 28 43 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 | 1)C1(CO1)CC(Cl)(Cl)Cl..updated_a |
9e440 | 74 00 95 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 14 7e 7d 46 50 01 00 00 10 64 | t...}FP....created_at..~}FP....d |
9e460 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 | efault_fingerprint_size......inc |
9e480 | 68 69 00 4b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 37 43 6c 35 4f 2f 63 31 31 2d 37 2d | hi.K...InChI=1S/C10H7Cl5O/c11-7- |
9e4a0 | 31 2d 36 28 32 2d 38 28 31 32 29 33 2d 37 29 39 28 35 2d 31 36 2d 39 29 34 2d 31 30 28 31 33 2c | 1-6(2-8(12)3-7)9(5-16-9)4-10(13, |
9e4c0 | 31 34 29 31 35 2f 68 31 2d 33 48 2c 34 2d 35 48 32 00 00 91 07 00 00 07 5f 69 64 00 56 16 24 38 | 14)15/h1-3H,4-5H2......._id.V.$8 |
9e4e0 | 2b 72 ed 30 fb 00 00 b8 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.0.....warnings.......fingerpr |
9e500 | 69 6e 74 73 00 cc 05 00 00 04 4d 50 32 44 00 c1 05 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d | ints......MP2D......0.....1;1-1- |
9e520 | 31 3b 32 2d 31 2d 31 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d | 1;2-1-1;..1.....1;1-2-1;2-1-1;2- |
9e540 | 31 2d 38 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b | 1-8;..2.....1;1-2-1;1-1-8;2-2-1; |
9e560 | 32 2d 31 2d 32 3b 00 02 33 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d | 2-1-2;..3.....1;1-2-1;2-2-1;2-1- |
9e580 | 38 3b 00 02 34 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 35 00 15 00 00 00 | 8;..4.....1;1-2-1;2-2-1;..5..... |
9e5a0 | 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 36 00 1b 00 00 00 31 3b 31 2d | 1;1-2-1;2-2-1;2-1-8;..6.....1;1- |
9e5c0 | 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 37 00 15 00 00 00 38 3b | 2-1;1-1-8;2-3-1;2-1-2;..7.....8; |
9e5e0 | 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 38 00 15 00 00 00 31 3b 31 2d 31 2d | 1-2-1;2-3-1;2-1-8;..8.....1;1-1- |
9e600 | 31 3b 31 2d 32 2d 38 3b 32 2d 33 2d 31 3b 00 02 39 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d | 1;1-2-8;2-3-1;..9.....1;1-2-1;2- |
9e620 | 31 2d 31 3b 32 2d 32 2d 38 3b 00 02 31 30 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 | 1-1;2-2-8;..10.....1;1-2-1;2-2-1 |
9e640 | 3b 32 2d 31 2d 35 3b 00 02 31 31 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 35 3b 32 2d | ;2-1-5;..11.....1;1-2-1;1-1-5;2- |
9e660 | 34 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 32 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 | 4-1;2-1-8;..12.....1;1-2-1;1-1-8 |
9e680 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 33 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d | ;2-2-1;2-1-5;..13.....8;1-2-1;2- |
9e6a0 | 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 34 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 | 3-1;2-1-8;..14.....1;1-1-1;2-1-1 |
9e6c0 | 3b 32 2d 31 2d 38 3b 00 02 31 35 00 0f 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 32 2d 31 3b 00 02 | ;2-1-8;..15.....5;1-3-1;2-2-1;.. |
9e6e0 | 31 36 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 31 37 00 0f 00 00 00 31 3b | 16.....1;1-1-5;2-2-1;..17.....1; |
9e700 | 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 31 38 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 | 1-1-5;2-2-1;..18.!...1;1-2-1;1-1 |
9e720 | 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 39 00 15 00 00 00 31 3b | -2;2-2-1;2-1-8;2-1-9;..19.....1; |
9e740 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 30 00 15 00 00 00 32 3b 31 2d 32 | 1-1-1;2-1-1;2-1-2;..20.....2;1-2 |
9e760 | 2d 31 3b 31 2d 31 2d 39 3b 32 2d 34 2d 31 3b 00 02 32 31 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b | -1;1-1-9;2-4-1;..21.....9;1-1-2; |
9e780 | 32 2d 32 2d 31 3b 00 02 32 32 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 | 2-2-1;..22.....1;1-2-1;1-1-2;2-4 |
9e7a0 | 2d 31 3b 32 2d 31 2d 39 3b 00 02 32 33 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 33 2d 31 3b | -1;2-1-9;..23.....1;1-3-1;2-3-1; |
9e7c0 | 32 2d 32 2d 32 3b 00 02 32 34 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 | 2-2-2;..24.!...1;1-1-1;1-1-2;2-2 |
9e7e0 | 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 35 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b | -1;2-1-8;2-1-9;..25.....2;1-1-1; |
9e800 | 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 00 02 32 36 00 15 00 00 00 39 3b 31 2d 31 | 1-1-8;1-1-9;2-2-1;..26.....9;1-1 |
9e820 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 37 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b | -2;2-1-1;2-1-8;..27.....8;1-1-1; |
9e840 | 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b 00 02 32 38 00 0f 00 00 00 31 3b 31 2d 33 | 1-1-2;2-3-1;2-1-9;..28.....1;1-3 |
9e860 | 2d 31 3b 32 2d 35 2d 31 3b 00 02 32 39 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b | -1;2-5-1;..29.....1;1-2-1;2-3-1; |
9e880 | 00 02 33 30 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 33 31 00 0f 00 00 00 | ..30.....1;1-2-1;2-3-1;..31..... |
9e8a0 | 31 3b 31 2d 33 2d 31 3b 32 2d 34 2d 31 3b 00 02 33 32 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 | 1;1-3-1;2-4-1;..32.....1;1-3-1;2 |
9e8c0 | 2d 35 2d 31 3b 00 02 33 33 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 35 2d 31 3b 00 02 33 34 | -5-1;..33.....1;1-3-1;2-5-1;..34 |
9e8e0 | 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 35 00 15 00 | .....1;1-2-1;2-3-1;2-1-2;..35... |
9e900 | 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 36 00 15 00 00 00 31 | ..1;1-2-1;2-3-1;2-1-8;..36.....1 |
9e920 | 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 00 02 33 37 00 15 00 00 00 31 3b 31 2d | ;1-2-1;1-1-8;2-3-1;..37.....1;1- |
9e940 | 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 38 00 0f 00 00 00 38 3b 31 2d 32 2d 31 | 2-1;2-3-1;2-1-8;..38.....8;1-2-1 |
9e960 | 3b 32 2d 34 2d 31 3b 00 02 33 39 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d | ;2-4-1;..39.....1;1-2-1;1-1-8;2- |
9e980 | 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 30 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 | 3-1;2-1-8;..40.....1;1-2-1;2-3-1 |
9e9a0 | 3b 32 2d 31 2d 38 3b 00 02 34 31 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 32 2d 31 3b 32 2d | ;2-1-8;..41.....1;1-3-1;2-2-1;2- |
9e9c0 | 31 2d 38 3b 00 02 34 32 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 34 33 00 | 1-8;..42.....1;1-1-1;2-2-1;..43. |
9e9e0 | 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 34 2d 31 3b 32 2d 31 2d 38 3b 00 02 | ....1;1-2-1;1-1-8;2-4-1;2-1-8;.. |
9ea00 | 34 34 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 32 2d 38 | 44.....1;1-2-1;1-1-8;2-3-1;2-2-8 |
9ea20 | 3b 00 02 34 35 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d | ;..45.....1;1-2-1;1-1-8;2-3-1;2- |
9ea40 | 32 2d 38 3b 00 02 34 36 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 34 37 00 | 2-8;..46.....8;1-2-1;2-2-1;..47. |
9ea60 | 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 00 02 34 38 00 0f 00 00 00 38 3b 31 2d 32 | ....1;1-1-8;2-1-1;..48.....8;1-2 |
9ea80 | 2d 31 3b 32 2d 32 2d 31 3b 00 02 34 39 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b | -1;2-2-1;..49.....1;1-1-8;2-1-1; |
9eaa0 | 00 02 35 30 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 35 31 00 0f 00 00 00 | ..50.....8;1-2-1;2-2-1;..51..... |
9eac0 | 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 5d 00 00 00 43 43 43 | 1;1-1-8;2-1-1;....smiles.]...CCC |
9eae0 | 31 43 43 43 43 28 4f 43 32 43 43 43 28 43 28 4f 32 29 43 29 4e 28 43 29 43 29 43 28 43 29 43 28 | 1CCCC(OC2CCC(C(O2)C)N(C)C)C(C)C( |
9eb00 | 3d 4f 29 43 32 43 28 43 43 28 3d 4f 29 4f 31 29 43 31 43 43 43 33 43 28 43 31 43 32 29 43 43 28 | =O)C2C(CC(=O)O1)C1CCC3C(C1C2)CC( |
9eb20 | 43 33 29 4f 43 31 43 43 28 43 29 43 28 43 28 43 31 4f 43 29 4f 43 29 4f 43 00 09 75 70 64 61 74 | C3)OC1CC(C)C(C(C1OC)OC)OC..updat |
9eb40 | 65 64 5f 61 74 00 99 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 1f 7e 7d 46 50 01 | ed_at...}FP....created_at..~}FP. |
9eb60 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
9eb80 | 02 69 6e 63 68 69 00 d8 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 32 48 37 31 4e 4f 39 2f 63 31 | .inchi.....InChI=1S/C42H71NO9/c1 |
9eba0 | 2d 31 30 2d 32 37 2d 31 32 2d 31 31 2d 31 33 2d 33 35 28 35 32 2d 33 38 2d 31 37 2d 31 36 2d 33 | -10-27-12-11-13-35(52-38-17-16-3 |
9ebc0 | 34 28 34 33 28 35 29 36 29 32 35 28 34 29 34 39 2d 33 38 29 32 34 28 33 29 33 39 28 34 35 29 33 | 4(43(5)6)25(4)49-38)24(3)39(45)3 |
9ebe0 | 33 2d 32 31 2d 33 31 2d 32 39 28 33 32 28 33 33 29 32 32 2d 33 37 28 34 34 29 35 31 2d 32 37 29 | 3-21-31-29(32(33)22-37(44)51-27) |
9ec00 | 31 35 2d 31 34 2d 32 36 2d 31 39 2d 32 38 28 32 30 2d 33 30 28 32 36 29 33 31 29 35 30 2d 33 36 | 15-14-26-19-28(20-30(26)31)50-36 |
9ec20 | 2d 31 38 2d 32 33 28 32 29 34 30 28 34 36 2d 37 29 34 32 28 34 38 2d 39 29 34 31 28 33 36 29 34 | -18-23(2)40(46-7)42(48-9)41(36)4 |
9ec40 | 37 2d 38 2f 68 32 33 2d 33 36 2c 33 38 2c 34 30 2d 34 32 48 2c 31 30 2d 32 32 48 32 2c 31 2d 39 | 7-8/h23-36,38,40-42H,10-22H2,1-9 |
9ec60 | 48 33 00 00 c3 02 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 b9 04 77 61 72 6e 69 6e | H3......._id.V.$8+r.0.....warnin |
9ec80 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 cf 01 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
9eca0 | c4 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 00 02 31 00 10 00 | .....0.....1;1-1-10;2-1-1;..1... |
9ecc0 | 00 00 31 30 3b 31 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 1c 00 00 00 31 3b 31 2d 31 2d 32 | ..10;1-2-1;2-1-2;..2.....1;1-1-2 |
9ece0 | 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 33 00 22 00 00 00 32 3b 31 2d | ;1-1-10;2-2-1;2-1-6;..3."...2;1- |
9ed00 | 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 00 02 34 | 2-1;1-1-6;2-3-1;2-1-8;2-1-10;..4 |
9ed20 | 00 1b 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 | .....6;1-1-2;1-1-8;2-2-1;2-1-2;. |
9ed40 | 02 35 00 22 00 00 00 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 | .5."...8;1-1-2;1-1-6;2-1-2;2-1-9 |
9ed60 | 3b 32 2d 31 2d 32 38 3b 00 02 36 00 22 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d | ;2-1-28;..6."...2;1-1-8;1-1-9;1- |
9ed80 | 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 37 00 16 00 00 00 39 3b 31 2d 31 2d 32 | 1-28;2-1-1;2-1-6;..7.....9;1-1-2 |
9eda0 | 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 38 00 1c 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 | ;2-1-8;2-1-28;..8.....28;1-1-1;1 |
9edc0 | 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 39 00 10 00 00 00 31 3b 31 2d 31 2d 32 | -1-2;2-1-8;2-1-9;..9.....1;1-1-2 |
9ede0 | 38 3b 32 2d 31 2d 32 3b 00 02 31 30 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 32 3b 32 | 8;2-1-2;..10.....1;1-3-1;1-1-2;2 |
9ee00 | 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d | -1-1;2-1-6;..11.....1;1-1-1;2-2- |
9ee20 | 31 3b 32 2d 31 2d 32 3b 00 02 31 32 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 | 1;2-1-2;..12.....1;1-1-1;2-2-1;2 |
9ee40 | 2d 31 2d 32 3b 00 02 31 33 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d | -1-2;..13.....1;1-1-1;2-2-1;2-1- |
9ee60 | 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 43 53 43 43 28 3d 4e 4f 43 28 3d 4f 29 4e 43 | 2;....smiles.....CSCC(=NOC(=O)NC |
9ee80 | 29 43 28 43 29 28 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 9b 89 7d 46 50 01 00 00 09 63 | )C(C)(C)C..updated_at...}FP....c |
9eea0 | 72 65 61 74 65 64 5f 61 74 00 25 7e 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.%~}FP....default_finge |
9eec0 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 4b 00 00 00 49 6e 43 68 49 | rprint_size......inchi.K...InChI |
9eee0 | 3d 31 53 2f 43 39 48 31 38 4e 32 4f 32 53 2f 63 31 2d 39 28 32 2c 33 29 37 28 36 2d 31 34 2d 35 | =1S/C9H18N2O2S/c1-9(2,3)7(6-14-5 |
9ef00 | 29 31 31 2d 31 33 2d 38 28 31 32 29 31 30 2d 34 2f 68 36 48 32 2c 31 2d 35 48 33 2c 28 48 2c 31 | )11-13-8(12)10-4/h6H2,1-5H3,(H,1 |
9ef20 | 30 2c 31 32 29 00 00 71 03 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 ba 04 77 61 72 | 0,12)..q...._id.V.$8+r.0.....war |
9ef40 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 63 02 00 00 04 4d 50 | nings.......fingerprints.c....MP |
9ef60 | 32 44 00 58 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 39 3b 32 2d 31 2d 36 3b 00 02 31 00 | 2D.X....0.....1;1-1-9;2-1-6;..1. |
9ef80 | 15 00 00 00 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 00 02 32 00 1b 00 00 00 | ....9;1-1-1;1-1-6;2-1-2;..2..... |
9efa0 | 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 00 21 00 | 6;1-1-2;1-1-9;2-2-1;2-1-3;..3.!. |
9efc0 | 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 33 2d 33 3b 32 2d 31 2d | ..2;1-1-1;1-1-3;1-1-6;2-3-3;2-1- |
9efe0 | 39 3b 00 02 34 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | 9;..4.(...3;1-1-2;1-2-3;2-1-1;2- |
9f000 | 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 35 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-1-6;2-1-15;..5.....3;1-2-3 |
9f020 | 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | ;2-1-2;2-2-3;..6.....3;1-2-3;2-2 |
9f040 | 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 | -3;2-1-15;..7.....3;1-2-3;1-1-15 |
9f060 | 3b 32 2d 32 2d 33 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 | ;2-2-3;..8.....3;1-2-3;2-2-3;2-2 |
9f080 | 2d 31 35 3b 00 02 39 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 32 | -15;..9.....3;1-2-3;1-1-15;2-1-2 |
9f0a0 | 3b 32 2d 32 2d 33 3b 00 02 31 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | ;2-2-3;..10.....15;1-1-3;2-2-3;. |
9f0c0 | 02 31 31 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 1b 00 00 00 | .11.....15;1-1-3;2-2-3;..12..... |
9f0e0 | 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 33 00 22 | 1;1-1-2;1-1-3;2-3-3;2-1-6;..13." |
9f100 | 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 | ...3;1-1-1;1-2-3;2-1-2;2-1-3;2-1 |
9f120 | 2d 31 31 3b 00 02 31 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | -11;..14.....3;1-2-3;2-1-1;2-2-3 |
9f140 | 3b 00 02 31 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 | ;..15.....3;1-2-3;2-1-3;2-1-11;. |
9f160 | 02 31 36 00 16 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 | .16.....3;1-1-3;1-1-11;2-2-3;..1 |
9f180 | 37 00 10 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 38 00 1c 00 00 00 33 3b | 7.....11;1-2-3;2-2-3;..18.....3; |
9f1a0 | 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 | 1-1-3;1-1-11;2-1-1;2-2-3;....smi |
9f1c0 | 6c 65 73 00 1f 00 00 00 43 4f 4e 3d 43 28 63 31 63 63 63 28 63 63 31 43 6c 29 43 6c 29 43 63 31 | les.....CON=C(c1ccc(cc1Cl)Cl)Cc1 |
9f1e0 | 63 63 63 6e 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 9e 89 7d 46 50 01 00 00 09 63 72 65 61 | cccnc1..updated_at...}FP....crea |
9f200 | 74 65 64 5f 61 74 00 2b 7e 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at.+~}FP....default_fingerpr |
9f220 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 5f 00 00 00 49 6e 43 68 49 3d 31 53 | int_size......inchi._...InChI=1S |
9f240 | 2f 43 31 34 48 31 32 43 6c 32 4e 32 4f 2f 63 31 2d 31 39 2d 31 38 2d 31 34 28 37 2d 31 30 2d 33 | /C14H12Cl2N2O/c1-19-18-14(7-10-3 |
9f260 | 2d 32 2d 36 2d 31 37 2d 39 2d 31 30 29 31 32 2d 35 2d 34 2d 31 31 28 31 35 29 38 2d 31 33 28 31 | -2-6-17-9-10)12-5-4-11(15)8-13(1 |
9f280 | 32 29 31 36 2f 68 32 2d 36 2c 38 2d 39 48 2c 37 48 32 2c 31 48 33 00 00 6e 04 00 00 07 5f 69 64 | 2)16/h2-6,8-9H,7H2,1H3..n...._id |
9f2a0 | 00 56 16 24 38 2b 72 ed 30 fb 00 00 bb 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V.$8+r.0.....warnings.......fin |
9f2c0 | 67 65 72 70 72 69 6e 74 73 00 39 03 00 00 04 4d 50 32 44 00 2e 03 00 00 02 30 00 15 00 00 00 39 | gerprints.9....MP2D......0.....9 |
9f2e0 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 1b 00 00 00 32 3b 31 2d 31 | ;1-1-2;2-1-1;2-1-8;..1.....2;1-1 |
9f300 | 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b 00 02 32 00 27 00 00 00 31 3b 31 | -1;1-1-8;1-1-9;2-3-1;..2.'...1;1 |
9f320 | 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 | -2-1;1-1-2;2-4-1;2-1-2;2-1-8;2-1 |
9f340 | 2d 39 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 | -9;..3.....1;1-2-1;1-1-2;2-4-1;2 |
9f360 | 2d 32 2d 32 3b 00 02 34 00 15 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 | -2-2;..4.....1;1-4-1;2-2-1;2-2-2 |
9f380 | 3b 00 02 35 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 36 00 0f 00 00 00 31 | ;..5.....1;1-1-1;2-3-1;..6.....1 |
9f3a0 | 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 37 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 | ;1-1-1;2-3-1;..7.....2;1-1-1;1-1 |
9f3c0 | 2d 32 3b 32 2d 34 2d 31 3b 00 02 38 00 15 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 | -2;2-4-1;..8.....2;1-2-1;1-1-2;2 |
9f3e0 | 2d 31 2d 31 3b 00 02 39 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 | -1-1;..9.....1;1-1-2;2-1-1;2-1-2 |
9f400 | 3b 00 02 31 30 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 | ;..10.....1;1-1-2;2-1-1;2-1-2;.. |
9f420 | 31 31 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 | 11."...8;1-1-1;1-1-2;2-1-1;2-1-9 |
9f440 | 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 16 00 00 00 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 32 38 3b | ;2-1-28;..12.....1;1-1-8;1-1-28; |
9f460 | 32 2d 33 2d 32 3b 00 02 31 33 00 22 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d | 2-3-2;..13."...28;1-1-1;1-2-2;2- |
9f480 | 32 2d 32 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 31 34 00 22 00 00 00 32 3b 31 2d 31 2d 32 | 2-2;2-1-8;2-2-9;..14."...2;1-1-2 |
9f4a0 | 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 35 00 16 | ;1-1-9;1-1-28;2-2-1;2-2-2;..15.. |
9f4c0 | 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 02 31 36 00 28 00 00 | ...9;1-1-2;2-1-2;2-1-28;..16.(.. |
9f4e0 | 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 | .2;1-1-1;1-2-2;2-2-1;2-1-2;2-1-9 |
9f500 | 3b 32 2d 31 2d 32 38 3b 00 02 31 37 00 28 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 | ;2-1-28;..17.(...2;1-1-1;1-2-2;2 |
9f520 | 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 38 00 22 00 00 | -2-1;2-1-2;2-1-9;2-1-28;..18.".. |
9f540 | 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d | .2;1-1-2;1-1-9;1-1-28;2-2-1;2-2- |
9f560 | 32 3b 00 02 31 39 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 32 38 3b | 2;..19.....9;1-1-2;2-1-2;2-1-28; |
9f580 | 00 02 32 30 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 | ..20.....1;1-1-1;1-1-2;2-1-1;2-2 |
9f5a0 | 2d 32 3b 00 02 32 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b | -2;..21.....1;1-2-1;2-1-1;2-1-2; |
9f5c0 | 00 02 32 32 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 | ..22.....1;1-2-1;2-1-1;2-1-2;..2 |
9f5e0 | 33 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b | 3.....1;1-1-1;1-1-2;2-1-1;2-2-2; |
9f600 | 00 00 00 02 73 6d 69 6c 65 73 00 30 00 00 00 4f 3d 43 28 43 31 43 28 43 31 28 43 29 43 29 43 3d | ....smiles.0...O=C(C1C(C1(C)C)C= |
9f620 | 43 28 43 29 43 29 4f 43 4e 31 43 28 3d 4f 29 43 32 3d 43 28 43 31 3d 4f 29 43 43 43 43 32 00 09 | C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2.. |
9f640 | 75 70 64 61 74 65 64 5f 61 74 00 a1 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 32 | updated_at...}FP....created_at.2 |
9f660 | 7e 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | ~}FP....default_fingerprint_size |
9f680 | 00 00 00 00 00 02 69 6e 63 68 69 00 75 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 39 48 32 35 4e | ......inchi.u...InChI=1S/C19H25N |
9f6a0 | 4f 34 2f 63 31 2d 31 31 28 32 29 39 2d 31 34 2d 31 35 28 31 39 28 31 34 2c 33 29 34 29 31 38 28 | O4/c1-11(2)9-14-15(19(14,3)4)18( |
9f6c0 | 32 33 29 32 34 2d 31 30 2d 32 30 2d 31 36 28 32 31 29 31 32 2d 37 2d 35 2d 36 2d 38 2d 31 33 28 | 23)24-10-20-16(21)12-7-5-6-8-13( |
9f6e0 | 31 32 29 31 37 28 32 30 29 32 32 2f 68 39 2c 31 34 2d 31 35 48 2c 35 2d 38 2c 31 30 48 32 2c 31 | 12)17(20)22/h9,14-15H,5-8,10H2,1 |
9f700 | 2d 34 48 33 00 00 b9 03 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 bc 04 77 61 72 6e | -4H3......._id.V.$8+r.0.....warn |
9f720 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a3 02 00 00 04 4d 50 32 | ings.......fingerprints......MP2 |
9f740 | 44 00 98 02 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 | D......0.....15;1-1-3;2-2-3;..1. |
9f760 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 | ....3;1-2-3;1-1-15;2-2-3;..2.... |
9f780 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 33 00 15 00 00 00 33 3b | .3;1-2-3;2-2-3;2-1-15;..3.....3; |
9f7a0 | 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 28 00 00 00 33 3b 31 2d 31 2d | 1-2-3;2-1-1;2-2-3;..4.(...3;1-1- |
9f7c0 | 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 35 | 1;1-2-3;2-1-1;2-2-3;2-2-8;2-1-15 |
9f7e0 | 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d | ;..5.....3;1-2-3;1-1-15;2-1-1;2- |
9f800 | 32 2d 33 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 | 2-3;..6.....3;1-2-3;2-2-3;2-2-15 |
9f820 | 3b 00 02 37 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 28 00 00 00 | ;..7.....15;1-1-3;2-2-3;..8.(... |
9f840 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 32 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b | 1;1-1-1;1-1-3;1-2-8;2-2-1;2-2-3; |
9f860 | 32 2d 31 2d 31 31 3b 00 02 39 00 1b 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 | 2-1-11;..9.....8;1-2-1;2-2-1;2-1 |
9f880 | 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 30 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b | -3;2-1-8;..10.....1;1-1-1;1-1-8; |
9f8a0 | 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 31 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-1-1;2-1-8;..11.....1;1-1-1;1-1 |
9f8c0 | 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 32 00 1b 00 00 00 38 3b 31 2d 32 2d 31 3b | -8;2-1-1;2-1-8;..12.....8;1-2-1; |
9f8e0 | 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 33 00 23 00 00 00 31 3b 31 2d 31 | 2-2-1;2-1-3;2-1-8;..13.#...1;1-1 |
9f900 | 2d 31 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 31 | -1;1-1-11;2-2-3;2-2-8;2-1-11;..1 |
9f920 | 34 00 2a 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d | 4.*...11;1-1-1;1-1-3;1-1-11;2-1- |
9f940 | 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 35 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 | 1;2-1-3;2-1-11;..15.....3;1-2-11 |
9f960 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 36 00 11 00 00 00 31 31 3b | ;2-1-1;2-1-3;2-1-11;..16.....11; |
9f980 | 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 37 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 | 1-2-3;2-2-11;..17.....3;1-2-11;2 |
9f9a0 | 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 38 00 24 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d | -1-3;2-1-11;..18.$...11;1-1-3;1- |
9f9c0 | 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 00 00 02 73 6d 69 6c | 1-11;2-1-1;2-1-3;2-1-11;....smil |
9f9e0 | 65 73 00 22 00 00 00 43 6c 63 31 63 63 63 28 63 28 63 31 29 43 6c 29 43 31 28 4f 43 43 4f 31 29 | es."...Clc1ccc(c(c1)Cl)C1(OCCO1) |
9fa00 | 43 6e 31 63 6e 63 6e 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 a4 89 7d 46 50 01 00 00 09 63 72 | Cn1cncn1..updated_at...}FP....cr |
9fa20 | 65 61 74 65 64 5f 61 74 00 39 7e 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at.9~}FP....default_finger |
9fa40 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 64 00 00 00 49 6e 43 68 49 3d | print_size......inchi.d...InChI= |
9fa60 | 31 53 2f 43 31 32 48 31 31 43 6c 32 4e 33 4f 32 2f 63 31 33 2d 39 2d 31 2d 32 2d 31 30 28 31 31 | 1S/C12H11Cl2N3O2/c13-9-1-2-10(11 |
9fa80 | 28 31 34 29 35 2d 39 29 31 32 28 31 38 2d 33 2d 34 2d 31 39 2d 31 32 29 36 2d 31 37 2d 38 2d 31 | (14)5-9)12(18-3-4-19-12)6-17-8-1 |
9faa0 | 35 2d 37 2d 31 36 2d 31 37 2f 68 31 2d 32 2c 35 2c 37 2d 38 48 2c 33 2d 34 2c 36 48 32 00 00 79 | 5-7-16-17/h1-2,5,7-8H,3-4,6H2..y |
9fac0 | 03 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 bd 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V.$8+r.0.....warnings... |
9fae0 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 70 02 00 00 04 4d 50 32 44 00 65 02 00 00 02 | ....fingerprints.p....MP2D.e.... |
9fb00 | 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d | 0.....1;1-1-1;2-1-1;..1.....1;1- |
9fb20 | 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b | 2-1;2-1-8;..2.....1;1-1-1;1-1-8; |
9fb40 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 2-1-1;2-1-2;..3.!...8;1-1-1;1-1- |
9fb60 | 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 34 00 28 00 00 00 32 3b 31 2d | 2;2-1-1;2-1-3;2-1-9;..4.(...2;1- |
9fb80 | 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d | 1-3;1-1-8;1-1-9;2-1-1;2-1-3;2-1- |
9fba0 | 31 31 3b 00 02 35 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 | 11;..5.....9;1-1-2;2-1-3;2-1-8;. |
9fbc0 | 02 36 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d | .6.(...3;1-1-2;1-1-3;1-1-11;2-2- |
9fbe0 | 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 3;2-1-8;2-1-9;..7.....3;1-2-3;2- |
9fc00 | 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 | 1-2;2-1-3;2-1-11;..8.....3;1-2-3 |
9fc20 | 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 39 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 | ;2-1-2;2-2-3;..9.(...3;1-1-2;1-2 |
9fc40 | 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 31 30 | -3;2-1-3;2-1-8;2-1-9;2-1-11;..10 |
9fc60 | 00 1c 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b | .....3;1-1-3;1-1-11;2-1-2;2-2-3; |
9fc80 | 00 02 31 31 00 16 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 | ..11.....11;1-2-3;2-1-2;2-2-3;.. |
9fca0 | 31 32 00 21 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 | 12.!...2;1-1-3;1-1-8;1-1-9;2-1-1 |
9fcc0 | 3b 32 2d 32 2d 33 3b 00 02 31 33 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d | ;2-2-3;..13.....9;1-1-2;2-1-3;2- |
9fce0 | 31 2d 38 3b 00 02 31 34 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 | 1-8;..14.!...8;1-1-1;1-1-2;2-1-1 |
9fd00 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 35 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | ;2-1-3;2-1-9;..15.....1;1-1-1;1- |
9fd20 | 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 36 00 0f 00 00 00 31 3b 31 2d 32 2d 31 | 1-8;2-1-1;2-1-2;..16.....1;1-2-1 |
9fd40 | 3b 32 2d 31 2d 38 3b 00 02 31 37 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 | ;2-1-8;..17.....1;1-1-1;2-1-1;.. |
9fd60 | 00 02 73 6d 69 6c 65 73 00 1d 00 00 00 43 43 43 4f 43 28 3d 4f 29 63 31 63 63 63 28 63 6e 31 29 | ..smiles.....CCCOC(=O)c1ccc(cn1) |
9fd80 | 43 28 3d 4f 29 4f 43 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 a6 89 7d 46 50 01 00 00 09 63 | C(=O)OCCC..updated_at...}FP....c |
9fda0 | 72 65 61 74 65 64 5f 61 74 00 3f 7e 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.?~}FP....default_finge |
9fdc0 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 5c 00 00 00 49 6e 43 68 49 | rprint_size......inchi.\...InChI |
9fde0 | 3d 31 53 2f 43 31 33 48 31 37 4e 4f 34 2f 63 31 2d 33 2d 37 2d 31 37 2d 31 32 28 31 35 29 31 30 | =1S/C13H17NO4/c1-3-7-17-12(15)10 |
9fe00 | 2d 35 2d 36 2d 31 31 28 31 34 2d 39 2d 31 30 29 31 33 28 31 36 29 31 38 2d 38 2d 34 2d 32 2f 68 | -5-6-11(14-9-10)13(16)18-8-4-2/h |
9fe20 | 35 2d 36 2c 39 48 2c 33 2d 34 2c 37 2d 38 48 32 2c 31 2d 32 48 33 00 00 3e 05 00 00 07 5f 69 64 | 5-6,9H,3-4,7-8H2,1-2H3..>...._id |
9fe40 | 00 56 16 24 38 2b 72 ed 30 fb 00 00 be 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V.$8+r.0.....warnings.......fin |
9fe60 | 67 65 72 70 72 69 6e 74 73 00 e8 03 00 00 04 4d 50 32 44 00 dd 03 00 00 02 30 00 10 00 00 00 39 | gerprints......MP2D......0.....9 |
9fe80 | 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 31 00 1d 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d | ;1-1-2;2-2-28;..1.....2;1-1-9;1- |
9fea0 | 32 2d 32 38 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 32 00 24 00 00 00 32 38 3b 31 2d 31 | 2-28;2-1-3;2-1-30;..2.$...28;1-1 |
9fec0 | 2d 32 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 33 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 33 | -2;1-1-30;2-1-3;2-3-9;2-1-28;..3 |
9fee0 | 00 23 00 00 00 33 30 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 | .#...30;1-1-3;1-2-9;1-1-28;2-1-2 |
9ff00 | 3b 32 2d 32 2d 33 3b 00 02 34 00 1d 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d | ;2-2-3;..4.....9;1-1-30;2-1-3;2- |
9ff20 | 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 35 00 1d 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d | 1-9;2-1-28;..5.....9;1-1-30;2-1- |
9ff40 | 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 36 00 29 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 3;2-1-9;2-1-28;..6.)...3;1-2-3;1 |
9ff60 | 2d 31 2d 33 30 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 32 38 3b 00 | -1-30;2-1-2;2-2-3;2-2-9;2-1-28;. |
9ff80 | 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 38 00 | .7.....3;1-2-3;2-2-3;2-1-30;..8. |
9ffa0 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d | ....3;1-2-3;2-2-3;..9.....3;1-2- |
9ffc0 | 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 | 3;2-2-3;..10.....3;1-2-3;2-1-2;2 |
9ffe0 | 2d 32 2d 33 3b 00 02 31 31 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -2-3;..11.(...3;1-1-2;1-2-3;2-2- |
a0000 | 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 33 30 3b 00 02 31 32 00 21 00 00 00 32 3b | 3;2-1-8;2-1-9;2-1-30;..12.!...2; |
a0020 | 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 | 1-1-3;1-1-8;1-1-9;2-1-1;2-2-3;.. |
a0040 | 31 33 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 34 00 | 13.....9;1-1-2;2-1-3;2-1-8;..14. |
a0060 | 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d | !...8;1-1-1;1-1-2;2-2-1;2-1-3;2- |
a0080 | 31 2d 39 3b 00 02 31 35 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 | 1-9;..15.....1;1-2-1;1-1-8;2-1-2 |
a00a0 | 3b 32 2d 32 2d 38 3b 00 02 31 36 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d | ;2-2-8;..16.....1;1-1-1;1-1-8;2- |
a00c0 | 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 37 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 | 2-1;2-1-8;..17.....8;1-2-1;2-2-1 |
a00e0 | 3b 00 02 31 38 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d | ;..18.....1;1-1-1;1-1-8;2-2-1;2- |
a0100 | 31 2d 38 3b 00 02 31 39 00 24 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d | 1-8;..19.$...28;1-1-2;1-1-3;2-1- |
a0120 | 39 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 32 30 00 1d 00 00 00 33 3b 31 2d 32 2d 31 | 9;2-2-11;2-1-28;..20.....3;1-2-1 |
a0140 | 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 31 00 24 00 00 00 31 31 | 1;1-1-28;2-1-2;2-2-3;..21.$...11 |
a0160 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 32 38 | ;1-2-3;2-1-1;2-1-3;2-1-11;2-1-28 |
a0180 | 3b 00 02 32 32 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 | ;..22.....3;1-1-1;1-1-3;1-1-11;2 |
a01a0 | 2d 32 2d 33 3b 00 02 32 33 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d | -2-3;..23.....1;1-1-3;2-1-3;2-1- |
a01c0 | 31 31 3b 00 02 32 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 31 31 | 11;..24.....3;1-2-3;2-2-1;2-2-11 |
a01e0 | 3b 00 02 32 35 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 | ;..25.....3;1-1-1;1-1-3;1-1-11;2 |
a0200 | 2d 32 2d 33 3b 00 02 32 36 00 24 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 | -2-3;..26.$...11;1-2-3;2-1-1;2-1 |
a0220 | 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 32 37 00 16 00 00 00 31 3b 31 2d 31 2d | -3;2-1-11;2-1-28;..27.....1;1-1- |
a0240 | 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 33 00 00 00 4f 3d | 3;2-1-3;2-1-11;....smiles.3...O= |
a0260 | 43 28 4e 53 28 3d 4f 29 28 3d 4f 29 63 31 63 63 63 63 63 31 43 28 3d 4f 29 4f 43 31 43 4f 43 31 | C(NS(=O)(=O)c1ccccc1C(=O)OC1COC1 |
a0280 | 29 4e 63 31 6e 63 28 43 29 63 63 28 6e 31 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 a9 89 7d | )Nc1nc(C)cc(n1)C..updated_at...} |
a02a0 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 46 7e 7d 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at.F~}FP....defaul |
a02c0 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 93 00 | t_fingerprint_size......inchi... |
a02e0 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 37 48 31 38 4e 34 4f 36 53 2f 63 31 2d 31 30 2d 37 2d 31 | ..InChI=1S/C17H18N4O6S/c1-10-7-1 |
a0300 | 31 28 32 29 31 39 2d 31 36 28 31 38 2d 31 30 29 32 30 2d 31 37 28 32 33 29 32 31 2d 32 38 28 32 | 1(2)19-16(18-10)20-17(23)21-28(2 |
a0320 | 34 2c 32 35 29 31 34 2d 36 2d 34 2d 33 2d 35 2d 31 33 28 31 34 29 31 35 28 32 32 29 32 37 2d 31 | 4,25)14-6-4-3-5-13(14)15(22)27-1 |
a0340 | 32 2d 38 2d 32 36 2d 39 2d 31 32 2f 68 33 2d 37 2c 31 32 48 2c 38 2d 39 48 32 2c 31 2d 32 48 33 | 2-8-26-9-12/h3-7,12H,8-9H2,1-2H3 |
a0360 | 2c 28 48 32 2c 31 38 2c 31 39 2c 32 30 2c 32 31 2c 32 33 29 00 00 eb 02 00 00 07 5f 69 64 00 56 | ,(H2,18,19,20,21,23)......._id.V |
a0380 | 16 24 38 2b 72 ed 30 fb 00 00 bf 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | .$8+r.0.....warnings.......finge |
a03a0 | 72 70 72 69 6e 74 73 00 f6 01 00 00 04 4d 50 32 44 00 eb 01 00 00 02 30 00 17 00 00 00 33 32 3b | rprints......MP2D......0.....32; |
a03c0 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 31 00 16 00 00 00 32 3b 31 2d 31 | 1-1-2;2-1-1;2-1-32;..1.....2;1-1 |
a03e0 | 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d 38 3b 00 02 32 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 | -1;1-2-32;2-1-8;..2.....32;1-1-2 |
a0400 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 33 00 1c 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d | ;2-1-1;2-1-32;..3.....1;1-1-2;1- |
a0420 | 31 2d 38 3b 32 2d 31 2d 33 3b 32 2d 32 2d 33 32 3b 00 02 34 00 22 00 00 00 38 3b 31 2d 31 2d 31 | 1-8;2-1-3;2-2-32;..4."...8;1-1-1 |
a0440 | 3b 31 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 35 00 29 00 | ;1-1-3;2-1-2;2-1-3;2-1-11;..5.). |
a0460 | 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 | ..3;1-1-3;1-1-8;1-1-11;2-1-1;2-2 |
a0480 | 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 36 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -3;2-1-15;..6.....11;1-2-3;2-2-3 |
a04a0 | 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 35 3b 00 02 37 00 24 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d | ;2-1-8;2-1-15;..7.$...3;1-1-3;1- |
a04c0 | 31 2d 31 31 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 38 00 17 00 00 | 1-11;1-1-15;2-2-3;2-1-15;..8.... |
a04e0 | 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 39 00 24 00 00 00 33 | .15;1-1-3;2-1-3;2-1-11;..9.$...3 |
a0500 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 | ;1-2-3;1-1-15;2-1-3;2-1-11;2-1-1 |
a0520 | 35 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b | 5;..10.....3;1-2-3;2-2-3;2-2-15; |
a0540 | 00 02 31 31 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 33 3b 32 2d | ..11.#...3;1-2-3;1-1-15;2-1-3;2- |
a0560 | 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 31 32 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 | 1-8;2-1-11;..12.....15;1-1-3;2-2 |
a0580 | 2d 33 3b 00 02 31 33 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 | -3;..13.....15;1-1-3;2-2-3;....s |
a05a0 | 6d 69 6c 65 73 00 1b 00 00 00 4f 43 28 3d 4f 29 43 4f 63 31 6e 63 28 43 6c 29 63 28 63 63 31 43 | miles.....OC(=O)COc1nc(Cl)c(cc1C |
a05c0 | 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 ac 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 | l)Cl..updated_at...}FP....create |
a05e0 | 64 5f 61 74 00 4c 7e 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.L~}FP....default_fingerprin |
a0600 | 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 4a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.J...InChI=1S/C |
a0620 | 37 48 34 43 6c 33 4e 4f 33 2f 63 38 2d 33 2d 31 2d 34 28 39 29 37 28 31 31 2d 36 28 33 29 31 30 | 7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10 |
a0640 | 29 31 34 2d 32 2d 35 28 31 32 29 31 33 2f 68 31 48 2c 32 48 32 2c 28 48 2c 31 32 2c 31 33 29 00 | )14-2-5(12)13/h1H,2H2,(H,12,13). |
a0660 | 00 1c 04 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 c0 04 77 61 72 6e 69 6e 67 73 00 | ......_id.V.$8+r.0.....warnings. |
a0680 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 f6 02 00 00 04 4d 50 32 44 00 eb 02 00 | ......fingerprints......MP2D.... |
a06a0 | 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 31 3b | ..0.....1;1-1-1;2-1-8;..1.....1; |
a06c0 | 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 00 02 32 00 16 00 00 00 38 3b 31 2d 32 2d | 1-1-1;1-1-8;2-1-1;..2.....8;1-2- |
a06e0 | 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 31 3b 00 02 33 00 1c 00 00 00 31 3b 31 2d 31 2d 38 3b 31 | 1;2-1-1;2-1-11;..3.....1;1-1-8;1 |
a0700 | 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 22 00 00 00 31 31 3b 31 2d 31 | -1-11;2-1-1;2-2-3;..4."...11;1-1 |
a0720 | 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 00 22 | -1;1-2-3;2-1-1;2-3-3;2-1-8;..5." |
a0740 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 34 2d 33 3b 32 2d | ...3;1-2-3;1-1-11;2-1-1;2-4-3;2- |
a0760 | 31 2d 34 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 | 1-4;..6.....3;1-3-3;2-3-3;2-1-11 |
a0780 | 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 38 00 16 00 00 00 33 | ;..7.....3;1-2-3;2-3-3;..8.....3 |
a07a0 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 39 00 16 00 00 00 33 3b 31 2d | ;1-2-3;2-2-3;2-1-15;..9.....3;1- |
a07c0 | 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d | 2-3;1-1-15;2-2-3;..10.....3;1-2- |
a07e0 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b | 3;2-2-3;2-1-15;..11.....3;1-2-3; |
a0800 | 32 2d 33 2d 33 3b 00 02 31 32 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 | 2-3-3;..12.....15;1-1-3;2-2-3;.. |
a0820 | 31 33 00 29 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 34 3b 32 2d 32 2d 33 3b 32 2d 31 2d 37 | 13.)...3;1-2-3;1-1-4;2-2-3;2-1-7 |
a0840 | 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 34 3b 00 02 31 34 00 29 00 00 00 33 3b 31 2d 32 2d 33 3b | ;2-1-11;2-1-14;..14.)...3;1-2-3; |
a0860 | 31 2d 31 2d 31 34 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 34 3b 32 2d 31 2d 31 31 3b | 1-1-14;2-1-1;2-1-3;2-1-4;2-1-11; |
a0880 | 00 02 31 35 00 30 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d | ..15.0...3;1-1-1;1-1-3;1-1-11;2- |
a08a0 | 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 34 3b 32 2d 33 2d 31 36 3b 00 02 31 36 00 1d 00 00 | 1-1;2-2-3;2-1-14;2-3-16;..16.... |
a08c0 | 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 | .1;1-1-3;1-3-16;2-1-3;2-1-11;..1 |
a08e0 | 37 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 31 38 | 7.....16;1-1-1;2-1-3;2-2-16;..18 |
a0900 | 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 31 39 00 | .....16;1-1-1;2-1-3;2-2-16;..19. |
a0920 | 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 30 00 10 | ....16;1-1-1;2-1-3;2-2-16;..20.. |
a0940 | 00 00 00 31 34 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 31 00 15 00 00 00 34 3b 31 2d 31 | ...14;1-1-3;2-2-3;..21.....4;1-1 |
a0960 | 2d 33 3b 31 2d 31 2d 37 3b 32 2d 32 2d 33 3b 00 02 32 32 00 0f 00 00 00 37 3b 31 2d 31 2d 34 3b | -3;1-1-7;2-2-3;..22.....7;1-1-4; |
a0980 | 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 2b 00 00 00 43 43 4f 43 6e 31 63 28 63 32 63 | 2-1-3;....smiles.+...CCOCn1c(c2c |
a09a0 | 63 63 28 63 63 32 29 43 6c 29 63 28 63 28 63 31 43 28 46 29 28 46 29 46 29 42 72 29 43 23 4e 00 | cc(cc2)Cl)c(c(c1C(F)(F)F)Br)C#N. |
a09c0 | 09 75 70 64 61 74 65 64 5f 61 74 00 af 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at...}FP....created_at. |
a09e0 | 53 7e 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | S~}FP....default_fingerprint_siz |
a0a00 | 65 00 00 00 00 00 02 69 6e 63 68 69 00 6b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 31 31 | e......inchi.k...InChI=1S/C15H11 |
a0a20 | 42 72 43 6c 46 33 4e 32 4f 2f 63 31 2d 32 2d 32 33 2d 38 2d 32 32 2d 31 33 28 39 2d 33 2d 35 2d | BrClF3N2O/c1-2-23-8-22-13(9-3-5- |
a0a40 | 31 30 28 31 37 29 36 2d 34 2d 39 29 31 31 28 37 2d 32 31 29 31 32 28 31 36 29 31 34 28 32 32 29 | 10(17)6-4-9)11(7-21)12(16)14(22) |
a0a60 | 31 35 28 31 38 2c 31 39 29 32 30 2f 68 33 2d 36 48 2c 32 2c 38 48 32 2c 31 48 33 00 00 9f 04 00 | 15(18,19)20/h3-6H,2,8H2,1H3..... |
a0a80 | 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 c1 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V.$8+r.0.....warnings..... |
a0aa0 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 72 03 00 00 04 4d 50 32 44 00 67 03 00 00 02 30 00 | ..fingerprints.r....MP2D.g....0. |
a0ac0 | 10 00 00 00 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 00 02 31 00 1c 00 00 00 31 30 3b 31 2d | ....1;1-1-10;2-1-2;..1.....10;1- |
a0ae0 | 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 00 22 00 00 00 32 3b | 1-1;1-1-2;2-1-3;2-1-9;..2."...2; |
a0b00 | 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | 1-1-3;1-1-9;1-1-10;2-1-1;2-2-3;. |
a0b20 | 02 33 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 34 00 | .3.....9;1-1-2;2-1-3;2-1-10;..4. |
a0b40 | 2f 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d | /...3;1-1-2;1-2-3;2-2-1;2-1-3;2- |
a0b60 | 31 2d 39 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 31 3b 00 02 35 00 29 00 00 00 33 3b 31 2d 31 2d | 1-9;2-1-10;2-1-11;..5.)...3;1-1- |
a0b80 | 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 | 1;1-1-3;1-1-11;2-1-2;2-2-3;2-2-1 |
a0ba0 | 36 3b 00 02 36 00 16 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 | 6;..6.....11;1-2-3;2-2-1;2-2-3;. |
a0bc0 | 02 37 00 29 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d | .7.)...3;1-1-1;1-1-3;1-1-11;2-1- |
a0be0 | 32 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 38 00 2f 00 00 00 33 3b 31 2d 31 2d 32 3b 31 | 2;2-2-3;2-3-16;..8./...3;1-1-2;1 |
a0c00 | 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 30 3b 32 2d | -2-3;2-2-1;2-1-3;2-1-9;2-1-10;2- |
a0c20 | 31 2d 31 31 3b 00 02 39 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 | 1-11;..9.!...3;1-1-1;1-2-3;2-1-1 |
a0c40 | 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 30 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | ;2-2-2;2-2-3;..10.....1;1-1-1;1- |
a0c60 | 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 0f 00 00 00 31 3b 31 2d 33 2d 31 | 1-3;2-2-1;2-2-3;..11.....1;1-3-1 |
a0c80 | 3b 32 2d 31 2d 33 3b 00 02 31 32 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 | ;2-1-3;..12.....1;1-1-1;2-2-1;.. |
a0ca0 | 31 33 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 34 00 22 00 00 00 32 3b | 13.....1;1-1-1;2-2-1;..14."...2; |
a0cc0 | 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | 1-1-3;1-1-9;1-1-10;2-1-1;2-2-3;. |
a0ce0 | 02 31 35 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 | .15.....9;1-1-2;2-1-3;2-1-10;..1 |
a0d00 | 36 00 1c 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 | 6.....10;1-1-1;1-1-2;2-1-3;2-1-9 |
a0d20 | 3b 00 02 31 37 00 10 00 00 00 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 00 02 31 38 00 1d 00 | ;..17.....1;1-1-10;2-1-2;..18... |
a0d40 | 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 | ..1;1-1-3;1-3-16;2-1-3;2-1-11;.. |
a0d60 | 31 39 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 | 19.....16;1-1-1;2-1-3;2-2-16;..2 |
a0d80 | 30 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 31 | 0.....16;1-1-1;2-1-3;2-2-16;..21 |
a0da0 | 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 32 00 | .....16;1-1-1;2-1-3;2-2-16;..22. |
a0dc0 | 1d 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 32 2d 31 36 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b | ....1;1-1-3;1-2-16;2-1-3;2-1-11; |
a0de0 | 00 02 32 33 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 36 3b 00 | ..23.....16;1-1-1;2-1-3;2-1-16;. |
a0e00 | 02 32 34 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 36 3b 00 00 | .24.....16;1-1-1;2-1-3;2-1-16;.. |
a0e20 | 00 02 73 6d 69 6c 65 73 00 30 00 00 00 43 53 43 28 3d 4f 29 63 31 63 28 6e 63 28 63 28 63 31 43 | ..smiles.0...CSC(=O)c1c(nc(c(c1C |
a0e40 | 43 28 43 29 43 29 43 28 3d 4f 29 53 43 29 43 28 46 29 28 46 29 46 29 43 28 46 29 46 00 09 75 70 | C(C)C)C(=O)SC)C(F)(F)F)C(F)F..up |
a0e60 | 64 61 74 65 64 5f 61 74 00 b1 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 5a 7e 7d | dated_at...}FP....created_at.Z~} |
a0e80 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
a0ea0 | 00 00 00 02 69 6e 63 68 69 00 6d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 31 36 46 35 4e | ....inchi.m...InChI=1S/C15H16F5N |
a0ec0 | 4f 32 53 32 2f 63 31 2d 36 28 32 29 35 2d 37 2d 38 28 31 33 28 32 32 29 32 34 2d 33 29 31 30 28 | O2S2/c1-6(2)5-7-8(13(22)24-3)10( |
a0ee0 | 31 32 28 31 36 29 31 37 29 32 31 2d 31 31 28 31 35 28 31 38 2c 31 39 29 32 30 29 39 28 37 29 31 | 12(16)17)21-11(15(18,19)20)9(7)1 |
a0f00 | 34 28 32 33 29 32 35 2d 34 2f 68 36 2c 31 32 48 2c 35 48 32 2c 31 2d 34 48 33 00 00 90 03 00 00 | 4(23)25-4/h6,12H,5H2,1-4H3...... |
a0f20 | 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 c2 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V.$8+r.0.....warnings...... |
a0f40 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 7b 02 00 00 04 4d 50 32 44 00 70 02 00 00 02 30 00 16 | .fingerprints.{....MP2D.p....0.. |
a0f60 | 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 00 28 00 00 00 | ...9;1-1-2;2-1-1;2-1-28;..1.(... |
a0f80 | 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 | 2;1-1-1;1-1-9;1-1-28;2-3-1;2-1-2 |
a0fa0 | 3b 32 2d 31 2d 33 3b 00 02 32 00 22 00 00 00 32 38 3b 31 2d 32 2d 32 3b 31 2d 31 2d 33 3b 32 2d | ;2-1-3;..2."...28;1-2-2;1-1-3;2- |
a0fc0 | 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b | 2-1;2-2-3;2-2-9;..3.....3;1-2-3; |
a0fe0 | 31 2d 31 2d 32 38 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 00 1d 00 00 00 33 3b 31 2d 32 | 1-1-28;2-2-2;2-2-3;..4.....3;1-2 |
a1000 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 02 35 00 16 00 00 00 33 | -3;2-2-3;2-1-15;2-1-28;..5.....3 |
a1020 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 36 00 10 00 00 00 31 35 3b 31 | ;1-2-3;1-1-15;2-2-3;..6.....15;1 |
a1040 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -1-3;2-2-3;..7.....3;1-2-3;2-2-3 |
a1060 | 3b 32 2d 32 2d 31 35 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 | ;2-2-15;..8.....3;1-2-3;1-1-15;2 |
a1080 | 2d 32 2d 33 3b 00 02 39 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | -2-3;..9.....3;1-2-3;2-2-3;2-1-1 |
a10a0 | 35 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | 5;2-1-28;..10.....15;1-1-3;2-2-3 |
a10c0 | 3b 00 02 31 31 00 28 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 | ;..11.(...2;1-1-1;1-1-9;1-1-28;2 |
a10e0 | 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 32 00 16 00 00 00 39 3b 31 2d 31 2d | -3-1;2-1-2;2-1-3;..12.....9;1-1- |
a1100 | 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 28 00 00 00 31 3b 31 2d 33 2d 31 3b | 2;2-1-1;2-1-28;..13.(...1;1-3-1; |
a1120 | 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 | 1-1-2;2-3-1;2-1-2;2-1-9;2-1-28;. |
a1140 | 02 31 34 00 28 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d | .14.(...1;1-3-1;1-1-2;2-3-1;2-1- |
a1160 | 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 35 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b | 2;2-1-9;2-1-28;..15.....1;1-1-1; |
a1180 | 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 36 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 34 | 2-2-1;2-1-2;..16.....1;1-2-1;2-4 |
a11a0 | 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 37 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b | -1;2-2-2;..17.....1;1-1-1;2-2-1; |
a11c0 | 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 29 00 00 00 4f 3d 43 31 4e 28 63 32 63 63 28 | 2-1-2;....smiles.)...O=C1N(c2cc( |
a11e0 | 43 6c 29 63 63 28 63 32 29 43 6c 29 43 28 3d 4f 29 43 32 28 43 31 28 43 29 43 32 29 43 00 09 75 | Cl)cc(c2)Cl)C(=O)C2(C1(C)C2)C..u |
a1200 | 70 64 61 74 65 64 5f 61 74 00 b4 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 60 7e | pdated_at...}FP....created_at.`~ |
a1220 | 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | }FP....default_fingerprint_size. |
a1240 | 00 00 00 00 02 69 6e 63 68 69 00 5c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 33 48 31 31 43 6c | .....inchi.\...InChI=1S/C13H11Cl |
a1260 | 32 4e 4f 32 2f 63 31 2d 31 32 2d 36 2d 31 33 28 31 32 2c 32 29 31 31 28 31 38 29 31 36 28 31 30 | 2NO2/c1-12-6-13(12,2)11(18)16(10 |
a1280 | 28 31 32 29 31 37 29 39 2d 34 2d 37 28 31 34 29 33 2d 38 28 31 35 29 35 2d 39 2f 68 33 2d 35 48 | (12)17)9-4-7(14)3-8(15)5-9/h3-5H |
a12a0 | 2c 36 48 32 2c 31 2d 32 48 33 00 00 1b 04 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 | ,6H2,1-2H3......._id.V.$8+r.0... |
a12c0 | c3 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 f8 02 | ..warnings.......fingerprints... |
a12e0 | 00 00 04 4d 50 32 44 00 ed 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 | ...MP2D......0.....1;1-1-8;2-1-2 |
a1300 | 3b 00 02 31 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 | ;..1.....8;1-1-1;1-1-2;2-1-3;2-1 |
a1320 | 2d 39 3b 00 02 32 00 21 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 | -9;..2.!...2;1-1-3;1-1-8;1-1-9;2 |
a1340 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 | -1-1;2-2-3;..3.....9;1-1-2;2-1-3 |
a1360 | 3b 32 2d 31 2d 38 3b 00 02 34 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 | ;2-1-8;..4.'...3;1-1-2;1-2-3;2-1 |
a1380 | 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 00 15 00 00 00 33 3b 31 | -2;2-2-3;2-1-8;2-1-9;..5.....3;1 |
a13a0 | 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 | -2-3;2-1-2;2-2-3;..6.....3;1-2-3 |
a13c0 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 | ;2-1-1;2-2-3;..7.....3;1-1-1;1-2 |
a13e0 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 | -3;2-2-3;..8.....3;1-2-3;2-1-1;2 |
a1400 | 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 39 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 | -1-2;2-2-3;..9.(...3;1-1-2;1-2-3 |
a1420 | 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 28 | ;2-1-2;2-2-3;2-1-6;2-1-28;..10.( |
a1440 | 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d | ...2;1-1-3;1-1-6;1-1-28;2-1-1;2- |
a1460 | 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 31 00 28 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | 1-2;2-2-3;..11.(...6;1-1-1;1-1-2 |
a1480 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 2e | ;2-2-1;2-1-2;2-1-3;2-1-28;..12.. |
a14a0 | 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 3b 32 2d 31 | ...1;1-2-1;1-1-2;1-1-6;2-2-1;2-1 |
a14c0 | 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 28 00 00 00 32 3b 31 2d 31 2d 31 | -2;2-1-9;2-1-28;..13.(...2;1-1-1 |
a14e0 | 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b | ;1-1-9;1-1-28;2-2-1;2-1-2;2-1-6; |
a1500 | 00 02 31 34 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 | ..14.....9;1-1-2;2-1-1;2-1-28;.. |
a1520 | 31 35 00 22 00 00 00 32 38 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d | 15."...28;1-2-2;2-1-1;2-1-3;2-1- |
a1540 | 36 3b 32 2d 31 2d 39 3b 00 02 31 36 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 | 6;2-1-9;..16.....1;1-1-1;2-1-1;2 |
a1560 | 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 31 37 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 2d | -1-2;2-1-6;..17.....1;1-3-1;2-1- |
a1580 | 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 31 38 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 | 1;2-1-2;2-1-6;..18.....1;1-1-1;2 |
a15a0 | 2d 32 2d 31 3b 00 02 31 39 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 30 | -2-1;..19.....1;1-1-1;2-2-1;..20 |
a15c0 | 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 29 00 | .....1;1-1-3;2-2-3;....smiles.). |
a15e0 | 00 00 43 4f 43 28 3d 4f 29 63 31 63 63 63 28 63 63 31 43 31 3d 4e 43 28 43 28 3d 4f 29 4e 31 29 | ..COC(=O)c1ccc(cc1C1=NC(C(=O)N1) |
a1600 | 28 43 29 43 28 43 29 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 b7 89 7d 46 50 01 00 00 09 | (C)C(C)C)C..updated_at...}FP.... |
a1620 | 63 72 65 61 74 65 64 5f 61 74 00 67 7e 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at.g~}FP....default_fing |
a1640 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 6a 00 00 00 49 6e 43 68 | erprint_size......inchi.j...InCh |
a1660 | 49 3d 31 53 2f 43 31 36 48 32 30 4e 32 4f 33 2f 63 31 2d 39 28 32 29 31 36 28 34 29 31 35 28 32 | I=1S/C16H20N2O3/c1-9(2)16(4)15(2 |
a1680 | 30 29 31 37 2d 31 33 28 31 38 2d 31 36 29 31 32 2d 38 2d 31 30 28 33 29 36 2d 37 2d 31 31 28 31 | 0)17-13(18-16)12-8-10(3)6-7-11(1 |
a16a0 | 32 29 31 34 28 31 39 29 32 31 2d 35 2f 68 36 2d 39 48 2c 31 2d 35 48 33 2c 28 48 2c 31 37 2c 31 | 2)14(19)21-5/h6-9H,1-5H3,(H,17,1 |
a16c0 | 38 2c 32 30 29 00 00 30 03 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 c4 04 77 61 72 | 8,20)..0...._id.V.$8+r.0.....war |
a16e0 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 37 02 00 00 04 4d 50 | nings.......fingerprints.7....MP |
a1700 | 32 44 00 2c 02 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 | 2D.,....0.....1;1-1-8;2-1-12;..1 |
a1720 | 00 1d 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 | .....8;1-1-1;1-1-12;2-2-8;2-1-18 |
a1740 | 3b 00 02 32 00 1d 00 00 00 31 32 3b 31 2d 33 2d 38 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 31 3b 32 | ;..2.....12;1-3-8;1-1-18;2-2-1;2 |
a1760 | 2d 31 2d 33 3b 00 02 33 00 11 00 00 00 31 38 3b 31 2d 31 2d 31 32 3b 32 2d 33 2d 38 3b 00 02 34 | -1-3;..3.....18;1-1-12;2-3-8;..4 |
a1780 | 00 2a 00 00 00 38 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 33 3b 32 2d 32 2d 38 3b | .*...8;1-1-3;1-1-12;2-1-3;2-2-8; |
a17a0 | 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 35 00 2a 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d | 2-1-11;2-1-18;..5.*...3;1-1-3;1- |
a17c0 | 31 2d 38 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 32 3b 32 2d 31 2d 31 35 3b 00 | 1-8;1-1-11;2-2-3;2-1-12;2-1-15;. |
a17e0 | 02 36 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d | .6.....11;1-2-3;2-2-3;2-1-8;2-1- |
a1800 | 31 35 3b 00 02 37 00 24 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 35 | 15;..7.$...3;1-1-3;1-1-11;1-1-15 |
a1820 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 38 00 17 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 | ;2-2-3;2-1-15;..8.....15;1-1-3;2 |
a1840 | 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 39 00 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | -1-3;2-1-11;..9.$...3;1-2-3;1-1- |
a1860 | 31 35 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 35 3b 00 02 31 30 00 16 00 00 00 | 15;2-1-3;2-1-11;2-1-15;..10..... |
a1880 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 31 31 00 23 00 00 00 33 3b | 3;1-2-3;2-2-3;2-2-15;..11.#...3; |
a18a0 | 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b | 1-2-3;1-1-15;2-1-3;2-1-8;2-1-11; |
a18c0 | 00 02 31 32 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 10 00 00 | ..12.....15;1-1-3;2-2-3;..13.... |
a18e0 | 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 1d 00 00 00 38 3b 31 2d 31 2d 31 | .15;1-1-3;2-2-3;..14.....8;1-1-1 |
a1900 | 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 31 35 00 10 00 00 00 31 3b | ;1-1-12;2-2-8;2-1-18;..15.....1; |
a1920 | 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 1f 00 00 00 43 4f 50 28 | 1-1-8;2-1-12;....smiles.....COP( |
a1940 | 3d 53 29 28 4f 63 31 6e 63 28 43 6c 29 63 28 63 63 31 43 6c 29 43 6c 29 4f 43 00 09 75 70 64 61 | =S)(Oc1nc(Cl)c(cc1Cl)Cl)OC..upda |
a1960 | 74 65 64 5f 61 74 00 b9 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 6d 7e 7d 46 50 | ted_at...}FP....created_at.m~}FP |
a1980 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
a19a0 | 00 02 69 6e 63 68 69 00 4a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 37 43 6c 33 4e 4f 33 50 | ..inchi.J...InChI=1S/C7H7Cl3NO3P |
a19c0 | 53 2f 63 31 2d 31 32 2d 31 35 28 31 36 2c 31 33 2d 32 29 31 34 2d 37 2d 35 28 39 29 33 2d 34 28 | S/c1-12-15(16,13-2)14-7-5(9)3-4( |
a19e0 | 38 29 36 28 31 30 29 31 31 2d 37 2f 68 33 48 2c 31 2d 32 48 33 00 00 e5 04 00 00 07 5f 69 64 00 | 8)6(10)11-7/h3H,1-2H3......._id. |
a1a00 | 56 16 24 38 2b 72 ed 30 fb 00 00 c5 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V.$8+r.0.....warnings.......fing |
a1a20 | 65 72 70 72 69 6e 74 73 00 af 03 00 00 04 4d 50 32 44 00 a4 03 00 00 02 30 00 0f 00 00 00 31 3b | erprints......MP2D......0.....1; |
a1a40 | 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 31 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 1-1-8;2-1-2;..1.....8;1-1-1;1-1- |
a1a60 | 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 00 21 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d | 2;2-1-3;2-1-9;..2.!...2;1-1-3;1- |
a1a80 | 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 15 00 00 00 39 3b | 1-8;1-1-9;2-1-1;2-2-3;..3.....9; |
a1aa0 | 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 2e 00 00 00 33 3b 31 2d 31 2d | 1-1-2;2-1-3;2-1-8;..4.....3;1-1- |
a1ac0 | 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b | 2;1-2-3;2-2-1;2-1-3;2-1-8;2-1-9; |
a1ae0 | 32 2d 31 2d 31 31 3b 00 02 35 00 29 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 | 2-1-11;..5.)...3;1-1-1;1-1-3;1-1 |
a1b00 | 2d 31 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 36 00 16 00 00 00 31 | -11;2-1-2;2-2-3;2-2-16;..6.....1 |
a1b20 | 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 29 00 00 00 33 3b 31 2d | 1;1-2-3;2-2-1;2-2-3;..7.)...3;1- |
a1b40 | 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 33 | 1-1;1-1-3;1-1-11;2-1-2;2-2-3;2-3 |
a1b60 | 2d 31 36 3b 00 02 38 00 2f 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b | -16;..8./...3;1-1-2;1-2-3;2-2-1; |
a1b80 | 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 31 3b 00 02 39 00 21 00 | 2-1-3;2-1-6;2-1-10;2-1-11;..9.!. |
a1ba0 | 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 32 2d | ..3;1-1-1;1-2-3;2-1-1;2-2-2;2-2- |
a1bc0 | 33 3b 00 02 31 30 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 | 3;..10.....1;1-1-1;1-1-3;2-2-1;2 |
a1be0 | 2d 32 2d 33 3b 00 02 31 31 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 32 | -2-3;..11.....1;1-3-1;2-1-3;..12 |
a1c00 | 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 33 00 0f 00 00 00 31 3b 31 2d | .....1;1-1-1;2-2-1;..13.....1;1- |
a1c20 | 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 34 00 22 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 | 1-1;2-2-1;..14."...2;1-1-3;1-1-6 |
a1c40 | 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 35 00 22 00 00 00 36 3b 31 | ;1-1-10;2-2-1;2-2-3;..15."...6;1 |
a1c60 | 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 | -1-1;1-1-2;2-1-1;2-1-3;2-1-10;.. |
a1c80 | 31 36 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 | 16.....1;1-1-1;1-1-6;2-1-2;2-1-1 |
a1ca0 | 30 3b 00 02 31 37 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b | 0;..17.....1;1-1-1;1-1-10;2-1-2; |
a1cc0 | 32 2d 31 2d 36 3b 00 02 31 38 00 22 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d | 2-1-6;..18."...10;1-1-1;1-1-2;2- |
a1ce0 | 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 39 00 1d 00 00 00 31 3b 31 2d 31 2d 33 | 1-1;2-1-3;2-1-6;..19.....1;1-1-3 |
a1d00 | 3b 31 2d 33 2d 31 36 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 30 00 17 00 00 00 31 36 | ;1-3-16;2-1-3;2-1-11;..20.....16 |
a1d20 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 31 00 17 00 00 00 31 36 3b | ;1-1-1;2-1-3;2-2-16;..21.....16; |
a1d40 | 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 32 00 17 00 00 00 31 36 3b 31 | 1-1-1;2-1-3;2-2-16;..22.....16;1 |
a1d60 | 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 33 00 1d 00 00 00 31 3b 31 2d 31 | -1-1;2-1-3;2-2-16;..23.....1;1-1 |
a1d80 | 2d 33 3b 31 2d 32 2d 31 36 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 34 00 17 00 00 00 | -3;1-2-16;2-1-3;2-1-11;..24..... |
a1da0 | 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 32 35 00 17 00 00 00 31 | 16;1-1-1;2-1-3;2-1-16;..25.....1 |
a1dc0 | 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 | 6;1-1-1;2-1-3;2-1-16;....smiles. |
a1de0 | 31 00 00 00 43 4f 43 28 3d 4f 29 63 31 63 28 6e 63 28 63 28 63 31 43 43 28 43 29 43 29 43 31 3d | 1...COC(=O)c1c(nc(c(c1CC(C)C)C1= |
a1e00 | 4e 43 43 53 31 29 43 28 46 29 28 46 29 46 29 43 28 46 29 46 00 09 75 70 64 61 74 65 64 5f 61 74 | NCCS1)C(F)(F)F)C(F)F..updated_at |
a1e20 | 00 bc 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 74 7e 7d 46 50 01 00 00 10 64 65 | ...}FP....created_at.t~}FP....de |
a1e40 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 | fault_fingerprint_size......inch |
a1e60 | 69 00 75 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 36 48 31 37 46 35 4e 32 4f 32 53 2f 63 31 2d | i.u...InChI=1S/C16H17F5N2O2S/c1- |
a1e80 | 37 28 32 29 36 2d 38 2d 39 28 31 35 28 32 34 29 32 35 2d 33 29 31 31 28 31 33 28 31 37 29 31 38 | 7(2)6-8-9(15(24)25-3)11(13(17)18 |
a1ea0 | 29 32 33 2d 31 32 28 31 36 28 31 39 2c 32 30 29 32 31 29 31 30 28 38 29 31 34 2d 32 32 2d 34 2d | )23-12(16(19,20)21)10(8)14-22-4- |
a1ec0 | 35 2d 32 36 2d 31 34 2f 68 37 2c 31 33 48 2c 34 2d 36 48 32 2c 31 2d 33 48 33 00 00 e0 04 00 00 | 5-26-14/h7,13H,4-6H2,1-3H3...... |
a1ee0 | 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 c6 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V.$8+r.0.....warnings...... |
a1f00 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a3 03 00 00 04 4d 50 32 44 00 98 03 00 00 02 30 00 0f | .fingerprints......MP2D......0.. |
a1f20 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 | ...1;1-1-1;2-1-8;..1.....1;1-1-1 |
a1f40 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 32 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 | ;1-1-8;2-1-2;..2.....8;1-1-1;1-1 |
a1f60 | 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 | -2;2-2-1;2-1-9;..3."...2;1-1-1;1 |
a1f80 | 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 34 00 15 00 00 00 | -1-8;1-1-9;2-2-1;2-1-15;..4..... |
a1fa0 | 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 28 00 00 00 31 3b 31 2d | 9;1-1-2;2-1-1;2-1-8;..5.(...1;1- |
a1fc0 | 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 | 1-1;1-1-2;1-1-15;2-1-3;2-1-8;2-1 |
a1fe0 | 2d 39 3b 00 02 36 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 | -9;..6."...1;1-1-1;1-1-3;2-1-2;2 |
a2000 | 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 37 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d | -2-3;2-1-15;..7."...3;1-1-1;1-2- |
a2020 | 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 38 00 1c 00 00 00 33 3b 31 | 3;2-1-1;2-2-3;2-1-15;..8.....3;1 |
a2040 | 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 39 00 24 00 00 00 | -2-3;2-1-1;2-2-3;2-1-11;..9.$... |
a2060 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d | 3;1-2-3;1-1-11;2-3-3;2-1-11;2-1- |
a2080 | 31 36 3b 00 02 31 30 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 36 3b 32 2d 32 2d 33 | 16;..10.....3;1-2-3;1-1-16;2-2-3 |
a20a0 | 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | ;2-1-11;..11.....3;1-2-3;2-2-3;2 |
a20c0 | 2d 31 2d 31 35 3b 32 2d 31 2d 31 36 3b 00 02 31 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | -1-15;2-1-16;..12.....3;1-2-3;1- |
a20e0 | 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 33 00 10 00 00 00 31 35 3b 31 2d 31 | 1-15;2-1-1;2-2-3;..13.....15;1-1 |
a2100 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | -3;2-2-3;..14.....16;1-1-3;2-2-3 |
a2120 | 3b 00 02 31 35 00 24 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b | ;..15.$...11;1-2-3;1-1-11;2-3-3; |
a2140 | 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 31 36 00 24 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 | 2-1-9;2-1-11;..16.$...11;1-1-3;1 |
a2160 | 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 37 00 23 00 | -1-11;2-1-1;2-2-3;2-1-11;..17.#. |
a2180 | 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 | ..3;1-1-1;1-2-11;2-1-1;2-1-3;2-1 |
a21a0 | 2d 31 31 3b 00 02 31 38 00 2a 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d | -11;..18.*...11;1-1-1;1-2-3;2-1- |
a21c0 | 31 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 31 3b 32 2d 32 2d 31 36 3b 00 02 31 39 00 23 00 00 00 33 | 1;2-1-9;2-2-11;2-2-16;..19.#...3 |
a21e0 | 3b 31 2d 31 2d 39 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 | ;1-1-9;1-2-11;2-1-1;2-2-3;2-1-11 |
a2200 | 3b 00 02 32 30 00 10 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 32 31 00 17 00 | ;..20.....9;1-1-3;2-2-11;..21... |
a2220 | 00 00 31 3b 31 2d 31 2d 31 31 3b 31 2d 32 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 32 32 00 18 00 00 | ..1;1-1-11;1-2-16;2-2-3;..22.... |
a2240 | 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 36 3b 00 02 32 33 00 18 00 00 | .16;1-1-1;2-1-11;2-1-16;..23.... |
a2260 | 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 36 3b 00 02 32 34 00 10 00 00 | .16;1-1-1;2-1-11;2-1-16;..24.... |
a2280 | 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 32 35 00 16 00 00 00 31 35 3b 31 2d 31 2d | .1;1-1-3;2-2-11;..25.....15;1-1- |
a22a0 | 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 31 00 00 00 43 43 4f | 1;2-1-1;2-1-2;....smiles.1...CCO |
a22c0 | 43 28 3d 4f 29 43 28 43 63 31 63 63 28 63 28 63 63 31 43 6c 29 46 29 6e 31 6e 63 28 6e 28 63 31 | C(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1 |
a22e0 | 3d 4f 29 43 28 46 29 46 29 43 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 bf 89 7d 46 50 01 | =O)C(F)F)C)Cl..updated_at...}FP. |
a2300 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 7a 7e 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at.z~}FP....default_f |
a2320 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 7c 00 00 00 49 | ingerprint_size......inchi.|...I |
a2340 | 6e 43 68 49 3d 31 53 2f 43 31 35 48 31 34 43 6c 32 46 33 4e 33 4f 33 2f 63 31 2d 33 2d 32 36 2d | nChI=1S/C15H14Cl2F3N3O3/c1-3-26- |
a2360 | 31 33 28 32 34 29 31 30 28 31 37 29 34 2d 38 2d 35 2d 31 32 28 31 31 28 31 38 29 36 2d 39 28 38 | 13(24)10(17)4-8-5-12(11(18)6-9(8 |
a2380 | 29 31 36 29 32 33 2d 31 35 28 32 35 29 32 32 28 31 34 28 31 39 29 32 30 29 37 28 32 29 32 31 2d | )16)23-15(25)22(14(19)20)7(2)21- |
a23a0 | 32 33 2f 68 35 2d 36 2c 31 30 2c 31 34 48 2c 33 2d 34 48 32 2c 31 2d 32 48 33 00 00 46 04 00 00 | 23/h5-6,10,14H,3-4H2,1-2H3..F... |
a23c0 | 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 c7 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V.$8+r.0.....warnings...... |
a23e0 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 0b 03 00 00 04 4d 50 32 44 00 00 03 00 00 02 30 00 15 | .fingerprints......MP2D......0.. |
a2400 | 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 00 15 00 00 00 32 | ...1;1-1-2;2-1-1;2-1-2;..1.....2 |
a2420 | 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 00 02 32 00 15 00 00 00 32 3b 31 2d 31 | ;1-2-1;1-1-2;2-1-1;..2.....2;1-1 |
a2440 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 | -1;1-1-2;2-4-1;..3.....1;1-2-1;1 |
a2460 | 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 2d 32 2d 32 3b 00 02 34 00 27 00 00 00 31 3b 31 2d 32 2d 31 | -1-2;2-4-1;2-2-2;..4.'...1;1-2-1 |
a2480 | 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 | ;1-1-2;2-4-1;2-1-2;2-1-8;2-1-9;. |
a24a0 | 02 35 00 15 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 36 00 0f | .5.....1;1-4-1;2-2-1;2-2-2;..6.. |
a24c0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 31 2d 31 | ...1;1-1-1;2-3-1;..7.....1;1-1-1 |
a24e0 | 3b 32 2d 33 2d 31 3b 00 02 38 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 | ;2-3-1;..8.....2;1-1-1;1-1-8;1-1 |
a2500 | 2d 39 3b 32 2d 33 2d 31 3b 00 02 39 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 | -9;2-3-1;..9.....9;1-1-2;2-1-1;2 |
a2520 | 2d 31 2d 38 3b 00 02 31 30 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d | -1-8;..10.!...8;1-1-1;1-1-2;2-1- |
a2540 | 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 31 00 1b 00 00 00 31 3b 31 2d 31 2d 33 3b 31 | 1;2-1-3;2-1-9;..11.....1;1-1-3;1 |
a2560 | 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 32 00 21 00 00 00 33 3b 31 2d 31 2d | -1-8;2-1-2;2-2-3;..12.!...3;1-1- |
a2580 | 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 33 00 1b | 1;1-2-3;2-1-3;2-1-8;2-1-9;..13.. |
a25a0 | 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 | ...3;1-1-3;1-1-9;2-1-1;2-2-3;..1 |
a25c0 | 34 00 15 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 35 00 1b | 4.....9;1-2-3;2-1-1;2-2-3;..15.. |
a25e0 | 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 33 2d 33 3b 00 02 31 | ...3;1-1-1;1-1-3;1-1-9;2-3-3;..1 |
a2600 | 36 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b | 6.....3;1-2-3;2-2-1;2-1-3;2-1-9; |
a2620 | 00 02 31 37 00 15 00 00 00 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 | ..17.....1;1-2-3;2-3-3;2-1-9;..1 |
a2640 | 38 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 39 00 15 | 8.....3;1-1-1;1-2-3;2-3-3;..19.. |
a2660 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 30 00 0f 00 00 00 | ...3;1-2-3;2-1-1;2-2-3;..20..... |
a2680 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-2-3;2-2-3;..21.....3;1-2-3;2 |
a26a0 | 2d 32 2d 33 3b 00 02 32 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 33 | -2-3;..22.....3;1-2-3;2-2-3;..23 |
a26c0 | 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 34 00 15 00 | .....3;1-2-3;2-1-1;2-2-3;..24... |
a26e0 | 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 | ..1;1-1-2;2-1-1;2-1-2;....smiles |
a2700 | 00 2c 00 00 00 43 43 28 3d 43 43 31 43 28 43 31 28 43 29 43 29 43 28 3d 4f 29 4f 43 63 31 63 6f | .,...CC(=CC1C(C1(C)C)C(=O)OCc1co |
a2720 | 63 28 63 31 29 43 63 31 63 63 63 63 63 31 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 c2 89 7d | c(c1)Cc1ccccc1)C..updated_at...} |
a2740 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 82 7e 7d 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at..~}FP....defaul |
a2760 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 7f 00 | t_fingerprint_size......inchi... |
a2780 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 32 48 32 36 4f 33 2f 63 31 2d 31 35 28 32 29 31 30 2d 31 | ..InChI=1S/C22H26O3/c1-15(2)10-1 |
a27a0 | 39 2d 32 30 28 32 32 28 31 39 2c 33 29 34 29 32 31 28 32 33 29 32 35 2d 31 34 2d 31 37 2d 31 32 | 9-20(22(19,3)4)21(23)25-14-17-12 |
a27c0 | 2d 31 38 28 32 34 2d 31 33 2d 31 37 29 31 31 2d 31 36 2d 38 2d 36 2d 35 2d 37 2d 39 2d 31 36 2f | -18(24-13-17)11-16-8-6-5-7-9-16/ |
a27e0 | 68 35 2d 31 30 2c 31 32 2d 31 33 2c 31 39 2d 32 30 48 2c 31 31 2c 31 34 48 32 2c 31 2d 34 48 33 | h5-10,12-13,19-20H,11,14H2,1-4H3 |
a2800 | 00 00 66 03 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 c8 04 77 61 72 6e 69 6e 67 73 | ..f...._id.V.$8+r.0.....warnings |
a2820 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 5f 02 00 00 04 4d 50 32 44 00 54 02 | .......fingerprints._....MP2D.T. |
a2840 | 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 10 00 00 00 31 | ...0.....1;1-1-1;2-1-1;..1.....1 |
a2860 | 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 32 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | ;1-2-1;2-1-10;..2.....1;1-1-1;1- |
a2880 | 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 32 3b 00 02 33 00 24 00 00 00 31 30 3b 31 2d 31 | 1-10;2-1-1;2-1-12;..3.$...10;1-1 |
a28a0 | 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 34 | -1;1-1-12;2-1-1;2-2-8;2-1-18;..4 |
a28c0 | 00 24 00 00 00 31 32 3b 31 2d 32 2d 38 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d | .$...12;1-2-8;1-1-10;1-1-18;2-2- |
a28e0 | 31 3b 32 2d 31 2d 33 3b 00 02 35 00 18 00 00 00 31 38 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b | 1;2-1-3;..5.....18;1-1-12;2-2-8; |
a2900 | 32 2d 31 2d 31 30 3b 00 02 36 00 2a 00 00 00 38 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 32 3b 32 2d | 2-1-10;..6.*...8;1-1-3;1-1-12;2- |
a2920 | 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 37 00 1c 00 00 00 | 2-3;2-1-8;2-1-10;2-1-18;..7..... |
a2940 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 32 3b 00 02 38 00 15 | 3;1-2-3;1-1-8;2-2-3;2-1-12;..8.. |
a2960 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 16 00 00 00 33 | ...3;1-2-3;2-2-3;2-1-8;..9.....3 |
a2980 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 | ;1-2-3;2-2-3;2-1-10;..10.....3;1 |
a29a0 | 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 16 00 00 | -2-3;1-1-10;2-1-1;2-2-3;..11.... |
a29c0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 32 00 15 00 00 00 33 | .3;1-2-3;2-2-3;2-1-10;..12.....3 |
a29e0 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 33 00 16 00 00 00 31 30 3b 31 | ;1-2-3;2-2-3;2-1-8;..13.....10;1 |
a2a00 | 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 10 00 00 00 31 3b 31 2d 31 2d | -1-1;1-1-3;2-2-3;..14.....1;1-1- |
a2a20 | 31 30 3b 32 2d 31 2d 33 3b 00 02 31 35 00 2a 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 | 10;2-1-3;..15.*...8;1-1-1;1-1-12 |
a2a40 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 31 36 00 | ;2-1-1;2-1-8;2-1-10;2-1-18;..16. |
a2a60 | 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 37 00 0f 00 | ....1;1-1-1;1-1-8;2-1-12;..17... |
a2a80 | 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 1c 00 00 00 43 | ..1;1-1-1;2-1-8;....smiles.....C |
a2aa0 | 43 43 53 50 28 3d 53 29 28 4f 63 31 63 63 63 28 63 63 31 29 53 43 29 4f 43 43 00 09 75 70 64 61 | CCSP(=S)(Oc1ccc(cc1)SC)OCC..upda |
a2ac0 | 74 65 64 5f 61 74 00 c4 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 88 7e 7d 46 50 | ted_at...}FP....created_at..~}FP |
a2ae0 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
a2b00 | 00 02 69 6e 63 68 69 00 5b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 39 4f 32 50 53 33 | ..inchi.[...InChI=1S/C12H19O2PS3 |
a2b20 | 2f 63 31 2d 34 2d 31 30 2d 31 38 2d 31 35 28 31 36 2c 31 33 2d 35 2d 32 29 31 34 2d 31 31 2d 36 | /c1-4-10-18-15(16,13-5-2)14-11-6 |
a2b40 | 2d 38 2d 31 32 28 31 37 2d 33 29 39 2d 37 2d 31 31 2f 68 36 2d 39 48 2c 34 2d 35 2c 31 30 48 32 | -8-12(17-3)9-7-11/h6-9H,4-5,10H2 |
a2b60 | 2c 31 2d 33 48 33 00 00 c0 02 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 c9 04 77 61 | ,1-3H3......._id.V.$8+r.0.....wa |
a2b80 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 cb 01 00 00 04 4d | rnings.......fingerprints......M |
a2ba0 | 50 32 44 00 c0 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 00 02 | P2D......0.....1;1-1-28;2-1-2;.. |
a2bc0 | 31 00 1c 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 | 1.....28;1-1-1;1-1-2;2-1-8;2-1-9 |
a2be0 | 3b 00 02 32 00 22 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d | ;..2."...2;1-1-8;1-1-9;1-1-28;2- |
a2c00 | 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b | 1-1;2-1-3;..3.....9;1-1-2;2-1-8; |
a2c20 | 32 2d 31 2d 32 38 3b 00 02 34 00 22 00 00 00 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 | 2-1-28;..4."...8;1-1-2;1-1-3;2-2 |
a2c40 | 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 35 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-1-9;2-1-28;..5.!...3;1-2-3; |
a2c60 | 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 1b 00 00 00 | 1-1-8;2-1-1;2-1-2;2-2-3;..6..... |
a2c80 | 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 15 00 | 3;1-2-3;2-1-1;2-2-3;2-1-8;..7... |
a2ca0 | 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 00 31 3b | ..3;1-1-1;1-2-3;2-2-3;..8.....1; |
a2cc0 | 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 1-1-3;2-2-3;..9.....3;1-2-3;2-2- |
a2ce0 | 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 | 1;2-2-3;..10.....3;1-1-1;1-2-3;2 |
a2d00 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d | -1-1;2-2-3;..11.!...3;1-1-1;1-2- |
a2d20 | 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 32 00 0f 00 00 00 31 3b 31 | 3;2-1-1;2-2-3;2-1-8;..12.....1;1 |
a2d40 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d | -1-3;2-2-3;..13.....1;1-1-3;2-2- |
a2d60 | 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 18 00 00 00 43 4e 43 28 3d 4f 29 4f 63 31 63 63 28 43 29 | 3;....smiles.....CNC(=O)Oc1cc(C) |
a2d80 | 63 63 28 63 31 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 c7 89 7d 46 50 01 00 00 09 63 72 | cc(c1C)C..updated_at...}FP....cr |
a2da0 | 65 61 74 65 64 5f 61 74 00 8f 7e 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at..~}FP....default_finger |
a2dc0 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 4d 00 00 00 49 6e 43 68 49 3d | print_size......inchi.M...InChI= |
a2de0 | 31 53 2f 43 31 31 48 31 35 4e 4f 32 2f 63 31 2d 37 2d 35 2d 38 28 32 29 39 28 33 29 31 30 28 36 | 1S/C11H15NO2/c1-7-5-8(2)9(3)10(6 |
a2e00 | 2d 37 29 31 34 2d 31 31 28 31 33 29 31 32 2d 34 2f 68 35 2d 36 48 2c 31 2d 34 48 33 2c 28 48 2c | -7)14-11(13)12-4/h5-6H,1-4H3,(H, |
a2e20 | 31 32 2c 31 33 29 00 00 65 03 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 00 ca 04 77 61 | 12,13)..e...._id.V.$8+r.0.....wa |
a2e40 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 4a 02 00 00 04 4d | rnings.......fingerprints.J....M |
a2e60 | 50 32 44 00 3f 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 | P2D.?....0.....1;1-1-1;2-2-1;..1 |
a2e80 | 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 00 15 00 00 | .....1;1-3-1;2-2-1;2-1-8;..2.... |
a2ea0 | 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 38 3b 32 2d 35 2d 31 3b 00 02 33 00 15 00 00 00 31 3b 31 | .1;1-3-1;1-1-8;2-5-1;..3.....1;1 |
a2ec0 | 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 00 15 00 00 00 31 3b 31 2d 32 2d 31 | -2-1;2-3-1;2-1-8;..4.....1;1-2-1 |
a2ee0 | 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 | ;2-3-1;2-1-8;..5.....1;1-3-1;1-1 |
a2f00 | 2d 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 36 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 | -8;2-3-1;2-1-8;..6.....8;1-2-1;2 |
a2f20 | 2d 36 2d 31 3b 00 02 37 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 34 2d 31 | -6-1;..7.....1;1-2-1;1-1-8;2-4-1 |
a2f40 | 3b 32 2d 31 2d 38 3b 00 02 38 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 32 | ;2-1-8;..8.....1;1-2-1;2-3-1;2-2 |
a2f60 | 2d 38 3b 00 02 39 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 | -8;..9.....8;1-2-1;2-2-1;2-1-3;. |
a2f80 | 02 31 30 00 1b 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d | .10.....1;1-1-3;1-1-8;2-1-1;2-2- |
a2fa0 | 33 3b 00 02 31 31 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 | 3;..11.!...3;1-1-1;1-2-3;2-1-1;2 |
a2fc0 | 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | -2-3;2-1-8;..12.....3;1-2-3;2-1- |
a2fe0 | 31 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | 1;2-2-3;..13.....3;1-2-3;2-2-3;. |
a3000 | 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 15 00 00 00 33 | .14.....3;1-2-3;2-2-3;..15.....3 |
a3020 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 36 00 1b 00 00 00 33 3b 31 2d | ;1-2-3;2-1-1;2-2-3;..16.....3;1- |
a3040 | 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 37 00 0f 00 00 00 31 | 1-1;1-2-3;2-1-1;2-2-3;..17.....1 |
a3060 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 38 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d | ;1-1-3;2-2-3;..18.....1;1-1-1;2- |
a3080 | 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 39 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 | 2-1;2-1-8;..19.....1;1-1-1;2-2-1 |
a30a0 | 3b 00 00 00 02 73 6d 69 6c 65 73 00 23 00 00 00 43 43 28 43 31 32 43 43 43 28 4f 32 29 28 43 28 | ;....smiles.#...CC(C12CCC(O2)(C( |
a30c0 | 43 31 29 4f 43 63 31 63 63 63 63 63 31 43 29 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 ca | C1)OCc1ccccc1C)C)C..updated_at.. |
a30e0 | 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 96 7e 7d 46 50 01 00 00 10 64 65 66 61 | .}FP....created_at..~}FP....defa |
a3100 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 | ult_fingerprint_size......inchi. |
a3120 | 68 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 38 48 32 36 4f 32 2f 63 31 2d 31 33 28 32 29 31 38 | h...InChI=1S/C18H26O2/c1-13(2)18 |
a3140 | 2d 31 30 2d 39 2d 31 37 28 34 2c 32 30 2d 31 38 29 31 36 28 31 31 2d 31 38 29 31 39 2d 31 32 2d | -10-9-17(4,20-18)16(11-18)19-12- |
a3160 | 31 35 2d 38 2d 36 2d 35 2d 37 2d 31 34 28 31 35 29 33 2f 68 35 2d 38 2c 31 33 2c 31 36 48 2c 39 | 15-8-6-5-7-14(15)3/h5-8,13,16H,9 |
a3180 | 2d 31 32 48 32 2c 31 2d 34 48 33 00 00 a5 02 00 00 07 5f 69 64 00 56 16 24 38 2b 72 ed 30 fb 00 | -12H2,1-4H3......._id.V.$8+r.0.. |
a31a0 | 00 cb 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c0 | ...warnings.......fingerprints.. |
a31c0 | 01 00 00 04 4d 50 32 44 00 b5 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d | ....MP2D......0.....1;1-1-3;2-2- |
a31e0 | 33 3b 00 02 31 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | 3;..1.....3;1-1-1;1-2-3;2-2-3;2- |
a3200 | 31 2d 31 31 3b 00 02 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | 1-11;..2.....3;1-2-3;2-1-1;2-2-3 |
a3220 | 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 34 00 16 00 00 00 33 | ;..3.....3;1-2-3;2-2-3;..4.....3 |
a3240 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 35 00 1d 00 00 00 33 3b 31 2d | ;1-2-3;2-2-3;2-1-18;..5.....3;1- |
a3260 | 32 2d 33 3b 31 2d 31 2d 31 38 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 36 00 23 00 00 00 | 2-3;1-1-18;2-3-3;2-1-11;..6.#... |
a3280 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 | 3;1-2-3;1-1-11;2-1-1;2-4-3;2-1-1 |
a32a0 | 38 3b 00 02 37 00 1e 00 00 00 31 31 3b 31 2d 33 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b | 8;..7.....11;1-3-3;2-2-3;2-2-11; |
a32c0 | 32 2d 31 2d 31 38 3b 00 02 38 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d | 2-1-18;..8.....3;1-2-11;2-2-3;2- |
a32e0 | 31 2d 31 31 3b 00 02 39 00 1e 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 | 1-11;..9.....11;1-1-3;1-1-11;2-1 |
a3300 | 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 25 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d | -3;2-1-11;..10.%...11;1-1-3;1-1- |
a3320 | 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 31 31 00 1e 00 00 00 | 11;2-1-3;2-1-11;2-1-18;..11..... |
a3340 | 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 38 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 | 3;1-2-11;1-1-18;2-3-3;2-1-11;..1 |
a3360 | 32 00 17 00 00 00 31 38 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 00 00 00 02 | 2.....18;1-2-3;2-2-3;2-2-11;.... |
a3380 | 73 6d 69 6c 65 73 00 14 00 00 00 43 63 31 63 63 63 63 32 63 31 6e 31 63 6e 6e 63 31 73 32 00 09 | smiles.....Cc1cccc2c1n1cnnc1s2.. |
a33a0 | 75 70 64 61 74 65 64 5f 61 74 00 cc 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 9d | updated_at...}FP....created_at.. |
a33c0 | 7e 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | ~}FP....default_fingerprint_size |
a33e0 | 00 00 00 00 00 02 69 6e 63 68 69 00 41 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 37 4e 33 53 | ......inchi.A...InChI=1S/C9H7N3S |
a3400 | 2f 63 31 2d 36 2d 33 2d 32 2d 34 2d 37 2d 38 28 36 29 31 32 2d 35 2d 31 30 2d 31 31 2d 39 28 31 | /c1-6-3-2-4-7-8(6)12-5-10-11-9(1 |
a3420 | 32 29 31 33 2d 37 2f 68 32 2d 35 48 2c 31 48 33 00 00 27 04 00 00 07 5f 69 64 00 56 16 24 38 2b | 2)13-7/h2-5H,1H3..'...._id.V.$8+ |
a3440 | 72 ed 30 fb 00 00 cc 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.0.....warnings.......fingerpri |
a3460 | 6e 74 73 00 f8 02 00 00 04 4d 50 32 44 00 ed 02 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 | nts......MP2D......0.....1;1-1-1 |
a3480 | 3b 32 2d 31 2d 31 30 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 32 | ;2-1-10;..1.....1;1-1-1;1-1-10;2 |
a34a0 | 2d 31 2d 31 3b 00 02 32 00 10 00 00 00 31 30 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 33 00 | -1-1;..2.....10;1-2-1;2-3-1;..3. |
a34c0 | 16 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 31 3b 00 02 34 00 16 00 00 | ....1;1-2-1;1-1-10;2-2-1;..4.... |
a34e0 | 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 35 00 15 00 00 00 31 3b | .1;1-2-1;2-3-1;2-1-10;..5.....1; |
a3500 | 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 36 00 21 00 00 00 31 3b 31 2d 31 2d | 1-3-1;2-1-1;2-2-2;..6.!...1;1-1- |
a3520 | 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 37 00 21 00 | 1;1-1-2;2-2-1;2-1-2;2-1-9;..7.!. |
a3540 | 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d | ..2;1-1-1;1-1-2;1-1-9;2-1-1;2-2- |
a3560 | 32 3b 00 02 38 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 | 2;..8.....9;1-1-2;2-1-1;2-1-2;.. |
a3580 | 39 00 1c 00 00 00 32 3b 31 2d 33 2d 32 3b 32 2d 33 2d 31 3b 32 2d 32 2d 39 3b 32 2d 31 2d 33 31 | 9.....2;1-3-2;2-3-1;2-2-9;2-1-31 |
a35a0 | 3b 00 02 31 30 00 28 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 31 3b 32 | ;..10.(...2;1-1-1;1-1-2;1-1-31;2 |
a35c0 | 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 31 00 1c 00 00 00 33 31 3b 31 2d 31 | -1-1;2-2-2;2-1-8;..11.....31;1-1 |
a35e0 | 2d 32 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 32 00 16 00 00 00 38 3b | -2;1-1-8;2-2-1;2-1-2;..12.....8; |
a3600 | 31 2d 31 2d 31 3b 31 2d 31 2d 33 31 3b 32 2d 32 2d 32 3b 00 02 31 33 00 1c 00 00 00 31 3b 31 2d | 1-1-1;1-1-31;2-2-2;..13.....1;1- |
a3620 | 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 31 3b 00 02 31 34 00 1c 00 00 00 | 1-2;1-1-8;2-1-2;2-1-31;..14..... |
a3640 | 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 35 3b 00 02 31 35 00 | 2;1-1-1;1-1-2;2-1-8;2-1-15;..15. |
a3660 | 16 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 00 02 31 36 00 10 00 | ....2;1-1-2;1-1-15;2-1-1;..16... |
a3680 | 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 02 31 37 00 1c 00 00 00 31 3b 31 2d 31 2d | ..15;1-1-2;2-1-2;..17.....1;1-1- |
a36a0 | 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 31 3b 00 02 31 38 00 0f 00 00 00 31 3b | 1;1-1-2;2-1-2;2-1-31;..18.....1; |
a36c0 | 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 39 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 | 1-1-1;2-1-2;..19.!...2;1-1-1;1-1 |
a36e0 | 2d 32 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 32 30 00 15 00 00 00 39 3b | -2;1-1-9;2-1-1;2-2-2;..20.....9; |
a3700 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 31 00 21 00 00 00 31 3b 31 2d 31 | 1-1-2;2-1-1;2-1-2;..21.!...1;1-1 |
a3720 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 32 32 00 | -1;1-1-2;2-2-1;2-1-2;2-1-9;..22. |
a3740 | 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 00 00 00 02 73 6d 69 | ....1;1-1-1;2-1-1;2-1-10;....smi |
a3760 | 6c 65 73 00 29 00 00 00 43 43 53 43 28 43 43 31 43 43 28 3d 4f 29 43 28 3d 43 28 4e 4f 43 43 3d | les.)...CCSC(CC1CC(=O)C(=C(NOCC= |
a3780 | 43 43 6c 29 43 43 29 43 28 3d 4f 29 43 31 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 82 8b 7d | CCl)CC)C(=O)C1)C..updated_at...} |
a37a0 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a4 7e 7d 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at..~}FP....defaul |
a37c0 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 76 00 | t_fingerprint_size......inchi.v. |
a37e0 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 37 48 32 36 43 6c 4e 4f 33 53 2f 63 31 2d 34 2d 31 34 28 | ..InChI=1S/C17H26ClNO3S/c1-4-14( |
a3800 | 31 39 2d 32 32 2d 38 2d 36 2d 37 2d 31 38 29 31 37 2d 31 35 28 32 30 29 31 30 2d 31 33 28 31 31 | 19-22-8-6-7-18)17-15(20)10-13(11 |
a3820 | 2d 31 36 28 31 37 29 32 31 29 39 2d 31 32 28 33 29 32 33 2d 35 2d 32 2f 68 36 2d 37 2c 31 32 2d | -16(17)21)9-12(3)23-5-2/h6-7,12- |
a3840 | 31 33 2c 31 39 48 2c 34 2d 35 2c 38 2d 31 31 48 32 2c 31 2d 33 48 33 00 00 59 02 00 00 07 5f 69 | 13,19H,4-5,8-11H2,1-3H3..Y...._i |
a3860 | 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 cd 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V.$9+r.0.....warnings.......fi |
a3880 | 6e 67 65 72 70 72 69 6e 74 73 00 7c 01 00 00 04 4d 50 32 44 00 71 01 00 00 02 30 00 0f 00 00 00 | ngerprints.|....MP2D.q....0..... |
a38a0 | 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 10 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d | 1;1-1-1;2-1-1;..1.....1;1-2-1;2- |
a38c0 | 31 2d 32 38 3b 00 02 32 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d | 1-28;..2.....1;1-1-1;1-1-28;2-2- |
a38e0 | 31 3b 32 2d 31 2d 32 3b 00 02 33 00 23 00 00 00 32 38 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 | 1;2-1-2;..3.#...28;1-2-1;1-1-2;2 |
a3900 | 2d 32 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 30 3b 00 02 34 00 1d 00 00 00 32 3b 31 2d 31 2d | -2-1;2-1-9;2-1-10;..4.....2;1-1- |
a3920 | 39 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 00 02 35 00 17 00 00 00 39 3b | 9;1-1-10;1-1-28;2-3-1;..5.....9; |
a3940 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 32 38 3b 00 02 36 00 23 00 00 00 31 30 3b 31 | 1-1-2;2-1-10;2-1-28;..6.#...10;1 |
a3960 | 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 | -1-1;1-1-2;2-1-1;2-1-9;2-1-28;.. |
a3980 | 37 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 00 02 38 00 10 | 7.....1;1-1-1;1-1-10;2-1-2;..8.. |
a39a0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 39 00 1c 00 00 00 31 3b 31 2d 31 2d | ...1;1-1-1;2-1-10;..9.....1;1-1- |
a39c0 | 31 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 30 00 10 00 00 00 31 3b | 1;1-1-28;2-2-1;2-1-2;..10.....1; |
a39e0 | 31 2d 32 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 31 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d | 1-2-1;2-1-28;..11.....1;1-1-1;2- |
a3a00 | 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 12 00 00 00 43 43 43 4e 28 43 28 3d 4f 29 53 43 43 | 1-1;....smiles.....CCCN(C(=O)SCC |
a3a20 | 29 43 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 35 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 | )CCC..updated_at.5.}FP....create |
a3a40 | 64 5f 61 74 00 ab 7e 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at..~}FP....default_fingerprin |
a3a60 | 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 3b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.;...InChI=1S/C |
a3a80 | 39 48 31 39 4e 4f 53 2f 63 31 2d 34 2d 37 2d 31 30 28 38 2d 35 2d 32 29 39 28 31 31 29 31 32 2d | 9H19NOS/c1-4-7-10(8-5-2)9(11)12- |
a3aa0 | 36 2d 33 2f 68 34 2d 38 48 32 2c 31 2d 33 48 33 00 00 b2 03 00 00 07 5f 69 64 00 56 16 24 39 2b | 6-3/h4-8H2,1-3H3......._id.V.$9+ |
a3ac0 | 72 ed 30 fb 00 00 ce 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.0.....warnings.......fingerpri |
a3ae0 | 6e 74 73 00 90 02 00 00 04 4d 50 32 44 00 85 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 | nts......MP2D......0.....1;1-1-8 |
a3b00 | 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 32 | ;2-1-1;..1.....8;1-2-1;2-3-1;..2 |
a3b20 | 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 00 02 33 00 15 00 00 | .....1;1-3-1;1-1-8;2-2-1;..3.... |
a3b40 | 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 00 0f 00 00 00 31 3b 31 | .1;1-2-1;2-3-1;2-1-8;..4.....1;1 |
a3b60 | 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 35 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 | -2-1;2-2-1;..5.....1;1-2-1;2-3-1 |
a3b80 | 3b 00 02 36 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 37 | ;..6.....1;1-3-1;2-1-1;2-1-2;..7 |
a3ba0 | 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 | .....1;1-1-1;1-1-2;2-2-1;2-1-2;. |
a3bc0 | 02 38 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 | .8.....2;1-1-1;1-1-2;2-1-1;2-1-2 |
a3be0 | 3b 00 02 39 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 | ;..9.....2;1-2-2;2-2-1;2-1-2;..1 |
a3c00 | 30 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 32 2d 32 3b 00 02 31 31 00 21 | 0.....2;1-1-1;1-2-2;2-2-2;..11.! |
a3c20 | 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 | ...2;1-2-2;2-1-1;2-1-2;2-1-8;2-1 |
a3c40 | 2d 39 3b 00 02 31 32 00 21 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b | -9;..12.!...2;1-1-2;1-1-8;1-1-9; |
a3c60 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 33 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 | 2-1-1;2-1-2;..13.....9;1-1-2;2-1 |
a3c80 | 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 34 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | -2;2-1-8;..14.!...8;1-1-1;1-1-2; |
a3ca0 | 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 35 00 15 00 00 00 31 3b 31 2d 32 | 2-2-1;2-1-2;2-1-9;..15.....1;1-2 |
a3cc0 | 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 31 36 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b | -1;1-1-8;2-1-2;..16.....1;1-1-1; |
a3ce0 | 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 37 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 | 2-1-1;2-1-8;..17.....1;1-1-1;2-1 |
a3d00 | 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 38 00 0f 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b | -1;2-1-8;..18.....1;1-1-2;2-2-2; |
a3d20 | 00 02 31 39 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 30 00 15 00 00 00 | ..19.....1;1-1-1;2-2-1;..20..... |
a3d40 | 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 31 00 15 00 00 00 31 3b 31 | 1;1-1-1;2-2-1;2-1-8;..21.....1;1 |
a3d60 | 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 26 00 00 00 | -1-1;2-2-1;2-1-8;....smiles.&... |
a3d80 | 43 4f 43 28 43 43 43 43 28 43 43 3d 43 43 28 3d 43 43 28 3d 4f 29 4f 43 28 43 29 43 29 43 29 43 | COC(CCCC(CC=CC(=CC(=O)OC(C)C)C)C |
a3da0 | 29 28 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 d4 89 7d 46 50 01 00 00 09 63 72 65 61 74 | )(C)C..updated_at...}FP....creat |
a3dc0 | 65 64 5f 61 74 00 b2 7e 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at..~}FP....default_fingerpri |
a3de0 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 6c 00 00 00 49 6e 43 68 49 3d 31 53 2f | nt_size......inchi.l...InChI=1S/ |
a3e00 | 43 31 39 48 33 34 4f 33 2f 63 31 2d 31 35 28 32 29 32 32 2d 31 38 28 32 30 29 31 34 2d 31 37 28 | C19H34O3/c1-15(2)22-18(20)14-17( |
a3e20 | 34 29 31 31 2d 38 2d 31 30 2d 31 36 28 33 29 31 32 2d 39 2d 31 33 2d 31 39 28 35 2c 36 29 32 31 | 4)11-8-10-16(3)12-9-13-19(5,6)21 |
a3e40 | 2d 37 2f 68 38 2c 31 31 2c 31 34 2d 31 36 48 2c 39 2d 31 30 2c 31 32 2d 31 33 48 32 2c 31 2d 37 | -7/h8,11,14-16H,9-10,12-13H2,1-7 |
a3e60 | 48 33 00 00 f5 02 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 cf 04 77 61 72 6e 69 6e | H3......._id.V.$9+r.0.....warnin |
a3e80 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 00 02 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
a3ea0 | f5 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 00 02 31 00 16 00 | .....0.....1;1-1-10;2-1-3;..1... |
a3ec0 | 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 1c 00 00 00 33 | ..10;1-1-1;1-1-3;2-2-3;..2.....3 |
a3ee0 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 16 00 | ;1-2-3;1-1-10;2-2-1;2-2-3;..3... |
a3f00 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 34 00 15 00 00 00 33 | ..3;1-2-3;2-2-3;2-1-10;..4.....3 |
a3f20 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 32 | ;1-2-3;2-2-3;2-1-8;..5.....3;1-2 |
a3f40 | 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 32 3b 00 02 36 00 1b 00 00 00 33 3b | -3;1-1-8;2-2-3;2-1-12;..6.....3; |
a3f60 | 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 1c 00 00 00 | 1-2-3;2-1-1;2-2-3;2-1-8;..7..... |
a3f80 | 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 38 00 0f | 3;1-1-1;1-2-3;2-2-3;2-1-10;..8.. |
a3fa0 | 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 23 00 00 00 38 3b 31 2d 31 2d 33 | ...1;1-1-3;2-2-3;..9.#...8;1-1-3 |
a3fc0 | 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 31 30 00 | ;1-1-12;2-2-3;2-2-8;2-1-18;..10. |
a3fe0 | 1d 00 00 00 31 32 3b 31 2d 33 2d 38 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b | ....12;1-3-8;1-1-18;2-2-1;2-1-3; |
a4000 | 00 02 31 31 00 11 00 00 00 31 38 3b 31 2d 31 2d 31 32 3b 32 2d 33 2d 38 3b 00 02 31 32 00 1d 00 | ..11.....18;1-1-12;2-3-8;..12... |
a4020 | 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 | ..8;1-1-1;1-1-12;2-2-8;2-1-18;.. |
a4040 | 31 33 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 34 00 1d 00 00 00 38 | 13.....1;1-1-8;2-1-12;..14.....8 |
a4060 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 31 35 00 | ;1-1-1;1-1-12;2-2-8;2-1-18;..15. |
a4080 | 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 1a 00 | ....1;1-1-8;2-1-12;....smiles... |
a40a0 | 00 00 43 53 63 31 63 63 63 28 63 63 31 43 29 4f 50 28 3d 53 29 28 4f 43 29 4f 43 00 09 75 70 64 | ..CSc1ccc(cc1C)OP(=S)(OC)OC..upd |
a40c0 | 61 74 65 64 5f 61 74 00 87 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 b9 7e 7d 46 | ated_at...}FP....created_at..~}F |
a40e0 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
a4100 | 00 00 02 69 6e 63 68 69 00 4b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 35 4f 33 50 53 | ...inchi.K...InChI=1S/C10H15O3PS |
a4120 | 32 2f 63 31 2d 38 2d 37 2d 39 28 35 2d 36 2d 31 30 28 38 29 31 36 2d 34 29 31 33 2d 31 34 28 31 | 2/c1-8-7-9(5-6-10(8)16-4)13-14(1 |
a4140 | 35 2c 31 31 2d 32 29 31 32 2d 33 2f 68 35 2d 37 48 2c 31 2d 34 48 33 00 00 b8 04 00 00 07 5f 69 | 5,11-2)12-3/h5-7H,1-4H3......._i |
a4160 | 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 d0 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V.$9+r.0.....warnings.......fi |
a4180 | 6e 67 65 72 70 72 69 6e 74 73 00 7b 03 00 00 04 4d 50 32 44 00 70 03 00 00 02 30 00 0f 00 00 00 | ngerprints.{....MP2D.p....0..... |
a41a0 | 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d | 1;1-1-8;2-1-3;..1.....8;1-1-1;1- |
a41c0 | 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b | 1-3;2-2-3;..2.!...3;1-2-3;1-1-8; |
a41e0 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 00 1b 00 00 00 33 3b 31 2d 32 2d | 2-1-1;2-2-3;2-1-8;..3.....3;1-2- |
a4200 | 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 1b 00 00 00 33 3b 31 2d | 3;2-1-2;2-2-3;2-1-8;..4.....3;1- |
a4220 | 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 02 35 00 15 00 00 00 33 3b | 1-2;1-2-3;2-1-2;2-3-3;..5.....3; |
a4240 | 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d | 1-2-3;2-1-2;2-2-3;..6.....3;1-2- |
a4260 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 3;2-2-3;2-1-8;..7.!...3;1-2-3;1- |
a4280 | 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 15 00 00 00 38 3b | 1-8;2-1-1;2-2-3;2-1-8;..8.....8; |
a42a0 | 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 31 3b 31 2d 31 2d | 1-1-1;1-1-3;2-2-3;..9.....1;1-1- |
a42c0 | 38 3b 32 2d 31 2d 33 3b 00 02 31 30 00 1b 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 | 8;2-1-3;..10.....2;1-1-2;1-2-3;2 |
a42e0 | 2d 31 2d 32 3b 32 2d 34 2d 33 3b 00 02 31 31 00 1c 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 32 2d | -1-2;2-4-3;..11.....2;1-2-2;2-2- |
a4300 | 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 22 00 00 00 32 3b 31 2d 31 2d 32 3b | 3;2-1-9;2-1-28;..12."...2;1-1-2; |
a4320 | 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 33 00 16 00 | 1-1-9;1-1-28;2-2-1;2-1-2;..13... |
a4340 | 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 02 31 34 00 22 00 00 00 | ..9;1-1-2;2-1-2;2-1-28;..14."... |
a4360 | 32 38 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 | 28;1-2-1;1-1-2;2-2-1;2-1-2;2-1-9 |
a4380 | 3b 00 02 31 35 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 | ;..15."...1;1-1-1;1-1-28;2-1-1;2 |
a43a0 | 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 36 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -1-2;2-1-8;..16.....1;1-1-1;1-1- |
a43c0 | 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 37 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b | 8;2-1-1;2-1-28;..17.....8;1-2-1; |
a43e0 | 32 2d 32 2d 31 3b 00 02 31 38 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 | 2-2-1;..18.....1;1-1-1;1-1-8;2-1 |
a4400 | 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 39 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | -1;2-1-28;..19."...1;1-1-1;1-1-2 |
a4420 | 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 30 00 1b 00 00 00 33 3b 31 | 8;2-1-1;2-1-2;2-1-8;..20.....3;1 |
a4440 | 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 02 32 31 00 15 00 00 00 | -1-2;1-2-3;2-1-2;2-3-3;..21..... |
a4460 | 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 32 00 16 00 00 00 33 3b 31 | 3;1-2-3;2-1-2;2-2-3;..22.....3;1 |
a4480 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 32 33 00 16 00 00 00 33 3b 31 2d 32 | -2-3;2-2-3;2-1-15;..23.....3;1-2 |
a44a0 | 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 32 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 | -3;1-1-15;2-2-3;..24.....3;1-2-3 |
a44c0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 32 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | ;2-2-3;2-1-15;..25.....3;1-2-3;2 |
a44e0 | 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 36 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 | -1-2;2-2-3;..26.....15;1-1-3;2-2 |
a4500 | 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 2d 00 00 00 43 4f 63 31 63 63 28 63 63 63 31 4f 43 29 | -3;....smiles.-...COc1cc(ccc1OC) |
a4520 | 43 28 3d 43 43 28 3d 4f 29 4e 31 43 43 4f 43 43 31 29 63 31 63 63 63 28 63 63 31 29 43 6c 00 09 | C(=CC(=O)N1CCOCC1)c1ccc(cc1)Cl.. |
a4540 | 75 70 64 61 74 65 64 5f 61 74 00 da 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c1 | updated_at...}FP....created_at.. |
a4560 | 7e 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | ~}FP....default_fingerprint_size |
a4580 | 00 00 00 00 00 02 69 6e 63 68 69 00 80 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 31 48 32 32 43 | ......inchi.....InChI=1S/C21H22C |
a45a0 | 6c 4e 4f 34 2f 63 31 2d 32 35 2d 31 39 2d 38 2d 35 2d 31 36 28 31 33 2d 32 30 28 31 39 29 32 36 | lNO4/c1-25-19-8-5-16(13-20(19)26 |
a45c0 | 2d 32 29 31 38 28 31 35 2d 33 2d 36 2d 31 37 28 32 32 29 37 2d 34 2d 31 35 29 31 34 2d 32 31 28 | -2)18(15-3-6-17(22)7-4-15)14-21( |
a45e0 | 32 34 29 32 33 2d 39 2d 31 31 2d 32 37 2d 31 32 2d 31 30 2d 32 33 2f 68 33 2d 38 2c 31 33 2d 31 | 24)23-9-11-27-12-10-23/h3-8,13-1 |
a4600 | 34 48 2c 39 2d 31 32 48 32 2c 31 2d 32 48 33 00 00 9a 02 00 00 07 5f 69 64 00 56 16 24 39 2b 72 | 4H,9-12H2,1-2H3......._id.V.$9+r |
a4620 | ed 30 fb 00 00 d1 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .0.....warnings.......fingerprin |
a4640 | 74 73 00 aa 01 00 00 04 4d 50 32 44 00 9f 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b | ts......MP2D......0.....1;1-1-1; |
a4660 | 32 2d 31 2d 31 30 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d | 2-1-10;..1.....1;1-1-1;1-1-10;2- |
a4680 | 31 2d 32 3b 00 02 32 00 23 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 | 1-2;..2.#...10;1-1-1;1-1-2;2-1-1 |
a46a0 | 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 33 00 1d 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d | ;2-1-9;2-1-28;..3.....2;1-1-9;1- |
a46c0 | 31 2d 31 30 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 00 02 34 00 17 00 00 00 39 3b 31 2d 31 2d | 1-10;1-1-28;2-3-1;..4.....9;1-1- |
a46e0 | 32 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 32 38 3b 00 02 35 00 23 00 00 00 32 38 3b 31 2d 32 2d 31 | 2;2-1-10;2-1-28;..5.#...28;1-2-1 |
a4700 | 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 30 3b 00 02 36 00 1c 00 | ;1-1-2;2-2-1;2-1-9;2-1-10;..6... |
a4720 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 37 | ..1;1-1-1;1-1-28;2-3-1;2-1-2;..7 |
a4740 | 00 10 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d | .....1;1-3-1;2-1-28;..8.....1;1- |
a4760 | 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 39 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b | 1-1;2-2-1;..9.....1;1-1-1;2-2-1; |
a4780 | 00 02 31 30 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 32 2d | ..10.....1;1-1-1;1-1-28;2-3-1;2- |
a47a0 | 31 2d 32 3b 00 02 31 31 00 10 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 32 | 1-2;..11.....1;1-3-1;2-1-28;..12 |
a47c0 | 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 33 00 0f 00 00 00 31 3b 31 2d | .....1;1-1-1;2-2-1;..13.....1;1- |
a47e0 | 31 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 18 00 00 00 43 43 53 43 28 3d 4f | 1-1;2-2-1;....smiles.....CCSC(=O |
a4800 | 29 4e 28 43 43 28 43 29 43 29 43 43 28 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 dc 89 7d | )N(CC(C)C)CC(C)C..updated_at...} |
a4820 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c7 7e 7d 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at..~}FP....defaul |
a4840 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 48 00 | t_fingerprint_size......inchi.H. |
a4860 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 31 48 32 33 4e 4f 53 2f 63 31 2d 36 2d 31 34 2d 31 31 28 | ..InChI=1S/C11H23NOS/c1-6-14-11( |
a4880 | 31 33 29 31 32 28 37 2d 39 28 32 29 33 29 38 2d 31 30 28 34 29 35 2f 68 39 2d 31 30 48 2c 36 2d | 13)12(7-9(2)3)8-10(4)5/h9-10H,6- |
a48a0 | 38 48 32 2c 31 2d 35 48 33 00 00 49 04 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 d2 | 8H2,1-5H3..I...._id.V.$9+r.0.... |
a48c0 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 1d 03 00 | .warnings.......fingerprints.... |
a48e0 | 00 04 4d 50 32 44 00 12 03 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b | ..MP2D......0.....1;1-1-1;2-1-1; |
a4900 | 32 2d 31 2d 38 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d | 2-1-8;..1.....1;1-2-1;1-1-8;2-1- |
a4920 | 31 32 3b 00 02 32 00 2a 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 31 3b | 12;..2.*...8;1-1-1;1-1-12;2-2-1; |
a4940 | 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 33 00 1e 00 00 00 31 32 3b 31 | 2-1-8;2-1-10;2-1-18;..3.....12;1 |
a4960 | 2d 32 2d 38 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 31 38 3b 32 2d 33 2d 31 3b 00 02 34 00 18 00 00 | -2-8;1-1-10;1-1-18;2-3-1;..4.... |
a4980 | 00 31 38 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 30 3b 00 02 35 00 2a 00 00 00 | .18;1-1-12;2-2-8;2-1-10;..5.*... |
a49a0 | 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 | 8;1-1-1;1-1-12;2-2-1;2-1-8;2-1-1 |
a49c0 | 30 3b 32 2d 31 2d 31 38 3b 00 02 36 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 | 0;2-1-18;..6.....1;1-2-1;1-1-8;2 |
a49e0 | 2d 31 2d 31 32 3b 00 02 37 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d | -1-12;..7.....1;1-1-1;2-1-1;2-1- |
a4a00 | 38 3b 00 02 38 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 | 8;..8.....1;1-1-1;2-1-1;2-1-8;.. |
a4a20 | 39 00 24 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d | 9.$...10;1-1-1;1-1-12;2-1-1;2-2- |
a4a40 | 38 3b 32 2d 31 2d 31 38 3b 00 02 31 30 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 | 8;2-1-18;..10.....1;1-1-1;1-1-10 |
a4a60 | 3b 32 2d 31 2d 35 3b 32 2d 31 2d 31 32 3b 00 02 31 31 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | ;2-1-5;2-1-12;..11.....1;1-1-1;1 |
a4a80 | 2d 31 2d 35 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 33 30 3b 00 02 31 32 00 22 00 00 00 35 3b 31 2d | -1-5;2-1-10;2-1-30;..12."...5;1- |
a4aa0 | 31 2d 31 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 | 1-1;1-1-30;2-1-1;2-1-3;2-2-9;..1 |
a4ac0 | 33 00 22 00 00 00 33 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 35 3b 31 2d 32 2d 39 3b 32 2d 31 2d 31 | 3."...30;1-1-3;1-1-5;1-2-9;2-1-1 |
a4ae0 | 3b 32 2d 32 2d 33 3b 00 02 31 34 00 1c 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 | ;2-2-3;..14.....9;1-1-30;2-1-3;2 |
a4b00 | 2d 31 2d 35 3b 32 2d 31 2d 39 3b 00 02 31 35 00 1c 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 | -1-5;2-1-9;..15.....9;1-1-30;2-1 |
a4b20 | 2d 33 3b 32 2d 31 2d 35 3b 32 2d 31 2d 39 3b 00 02 31 36 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-1-5;2-1-9;..16."...3;1-2-3; |
a4b40 | 31 2d 31 2d 33 30 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 32 2d 32 2d 39 3b 00 02 31 37 00 16 00 | 1-1-30;2-2-3;2-1-5;2-2-9;..17... |
a4b60 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 38 00 0f 00 00 00 | ..3;1-2-3;2-2-3;2-1-30;..18..... |
a4b80 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-2-3;2-2-3;..19.....3;1-2-3;2 |
a4ba0 | 2d 32 2d 33 3b 00 02 32 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 31 | -2-3;..20.....3;1-2-3;2-2-3;..21 |
a4bc0 | 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 32 32 00 15 | .....3;1-2-3;2-2-3;2-1-30;..22.. |
a4be0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 | ...1;1-1-1;2-1-1;2-1-8;....smile |
a4c00 | 73 00 29 00 00 00 43 43 28 4f 50 28 3d 53 29 28 4f 43 28 43 29 43 29 53 43 43 4e 53 28 3d 4f 29 | s.)...CC(OP(=S)(OC(C)C)SCCNS(=O) |
a4c20 | 28 3d 4f 29 63 31 63 63 63 63 63 31 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 df 89 7d 46 50 | (=O)c1ccccc1)C..updated_at...}FP |
a4c40 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 cf 7e 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at..~}FP....default_ |
a4c60 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 73 00 00 00 | fingerprint_size......inchi.s... |
a4c80 | 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 32 34 4e 4f 34 50 53 33 2f 63 31 2d 31 32 28 32 29 31 38 | InChI=1S/C14H24NO4PS3/c1-12(2)18 |
a4ca0 | 2d 32 30 28 32 31 2c 31 39 2d 31 33 28 33 29 34 29 32 32 2d 31 31 2d 31 30 2d 31 35 2d 32 33 28 | -20(21,19-13(3)4)22-11-10-15-23( |
a4cc0 | 31 36 2c 31 37 29 31 34 2d 38 2d 36 2d 35 2d 37 2d 39 2d 31 34 2f 68 35 2d 39 2c 31 32 2d 31 33 | 16,17)14-8-6-5-7-9-14/h5-9,12-13 |
a4ce0 | 2c 31 35 48 2c 31 30 2d 31 31 48 32 2c 31 2d 34 48 33 00 00 40 04 00 00 07 5f 69 64 00 56 16 24 | ,15H,10-11H2,1-4H3..@...._id.V.$ |
a4d00 | 39 2b 72 ed 30 fb 00 00 d3 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | 9+r.0.....warnings.......fingerp |
a4d20 | 72 69 6e 74 73 00 0a 03 00 00 04 4d 50 32 44 00 ff 02 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 | rints......MP2D......0.....1;1-1 |
a4d40 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 00 15 00 00 00 32 3b 31 2d 32 2d 31 3b 31 | -2;2-1-1;2-1-2;..1.....2;1-2-1;1 |
a4d60 | 2d 31 2d 32 3b 32 2d 31 2d 31 3b 00 02 32 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | -1-2;2-1-1;..2.....2;1-1-1;1-1-2 |
a4d80 | 3b 32 2d 34 2d 31 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 | ;2-4-1;..3.....1;1-2-1;1-1-2;2-4 |
a4da0 | 2d 31 3b 32 2d 32 2d 32 3b 00 02 34 00 27 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 | -1;2-2-2;..4.'...1;1-2-1;1-1-2;2 |
a4dc0 | 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 00 15 00 00 00 31 | -4-1;2-1-2;2-1-8;2-1-9;..5.....1 |
a4de0 | 3b 31 2d 34 2d 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 36 00 0f 00 00 00 31 3b 31 2d 31 | ;1-4-1;2-2-1;2-2-2;..6.....1;1-1 |
a4e00 | 2d 31 3b 32 2d 33 2d 31 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 | -1;2-3-1;..7.....1;1-1-1;2-3-1;. |
a4e20 | 02 38 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 | .8.....2;1-1-1;1-1-8;1-1-9;2-3-1 |
a4e40 | 3b 00 02 39 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 | ;..9.....9;1-1-2;2-1-1;2-1-8;..1 |
a4e60 | 30 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b | 0.!...8;1-1-1;1-1-2;2-1-1;2-1-3; |
a4e80 | 32 2d 31 2d 39 3b 00 02 31 31 00 1b 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 | 2-1-9;..11.....1;1-1-3;1-1-8;2-1 |
a4ea0 | 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 32 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b | -2;2-2-3;..12.....3;1-1-1;1-2-3; |
a4ec0 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | 2-2-3;2-1-8;..13.....3;1-2-3;2-1 |
a4ee0 | 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | -1;2-2-3;..14.....3;1-2-3;2-2-3; |
a4f00 | 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 | ..15.....3;1-2-3;2-2-3;2-1-8;..1 |
a4f20 | 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 31 37 00 1b | 6.....3;1-2-3;1-1-8;2-3-3;..17.. |
a4f40 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 | ...3;1-2-3;2-1-1;2-2-3;2-1-8;..1 |
a4f60 | 38 00 0f 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 39 00 15 00 00 00 33 3b 31 | 8.....8;1-2-3;2-4-3;..19.....3;1 |
a4f80 | 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 32 30 00 15 00 00 00 33 3b 31 2d 32 2d | -2-3;1-1-8;2-3-3;..20.....3;1-2- |
a4fa0 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;2-2-3;2-1-8;..21.....3;1-2-3;2 |
a4fc0 | 2d 32 2d 33 3b 00 02 32 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 33 | -2-3;..22.....3;1-2-3;2-2-3;..23 |
a4fe0 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 34 00 15 00 00 00 33 3b 31 2d | .....3;1-2-3;2-2-3;..24.....3;1- |
a5000 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 35 00 15 00 00 00 31 3b 31 2d 31 2d 32 | 2-3;2-2-3;2-1-8;..25.....1;1-1-2 |
a5020 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 2d 00 00 00 43 43 28 3d | ;2-1-1;2-1-2;....smiles.-...CC(= |
a5040 | 43 43 31 43 28 43 31 28 43 29 43 29 43 28 3d 4f 29 4f 43 63 31 63 63 63 63 28 63 31 29 4f 63 31 | CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1 |
a5060 | 63 63 63 63 63 31 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 e2 89 7d 46 50 01 00 00 09 63 72 | ccccc1)C..updated_at...}FP....cr |
a5080 | 65 61 74 65 64 5f 61 74 00 d7 7e 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at..~}FP....default_finger |
a50a0 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 79 00 00 00 49 6e 43 68 49 3d | print_size......inchi.y...InChI= |
a50c0 | 31 53 2f 43 32 33 48 32 36 4f 33 2f 63 31 2d 31 36 28 32 29 31 33 2d 32 30 2d 32 31 28 32 33 28 | 1S/C23H26O3/c1-16(2)13-20-21(23( |
a50e0 | 32 30 2c 33 29 34 29 32 32 28 32 34 29 32 35 2d 31 35 2d 31 37 2d 39 2d 38 2d 31 32 2d 31 39 28 | 20,3)4)22(24)25-15-17-9-8-12-19( |
a5100 | 31 34 2d 31 37 29 32 36 2d 31 38 2d 31 30 2d 36 2d 35 2d 37 2d 31 31 2d 31 38 2f 68 35 2d 31 34 | 14-17)26-18-10-6-5-7-11-18/h5-14 |
a5120 | 2c 32 30 2d 32 31 48 2c 31 35 48 32 2c 31 2d 34 48 33 00 00 c2 02 00 00 07 5f 69 64 00 56 16 24 | ,20-21H,15H2,1-4H3......._id.V.$ |
a5140 | 39 2b 72 ed 30 fb 00 00 d4 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | 9+r.0.....warnings.......fingerp |
a5160 | 72 69 6e 74 73 00 cb 01 00 00 04 4d 50 32 44 00 c0 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 | rints......MP2D......0.....1;1-1 |
a5180 | 2d 32 38 3b 32 2d 31 2d 32 3b 00 02 31 00 1c 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | -28;2-1-2;..1.....28;1-1-1;1-1-2 |
a51a0 | 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 00 22 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 | ;2-1-8;2-1-9;..2."...2;1-1-8;1-1 |
a51c0 | 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 00 16 00 00 00 39 3b | -9;1-1-28;2-1-1;2-1-3;..3.....9; |
a51e0 | 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 34 00 22 00 00 00 38 3b 31 2d 31 | 1-1-2;2-1-8;2-1-28;..4."...8;1-1 |
a5200 | 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 35 00 | -2;1-1-3;2-2-3;2-1-9;2-1-28;..5. |
a5220 | 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 | ....3;1-2-3;1-1-8;2-1-2;2-2-3;.. |
a5240 | 36 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b | 6.....3;1-2-3;2-1-1;2-2-3;2-1-8; |
a5260 | 00 02 37 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | ..7.....3;1-1-1;1-2-3;2-1-1;2-2- |
a5280 | 33 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 1b 00 00 00 | 3;..8.....1;1-1-3;2-2-3;..9..... |
a52a0 | 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 1b | 3;1-1-1;1-2-3;2-2-1;2-2-3;..10.. |
a52c0 | 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 | ...3;1-1-1;1-2-3;2-1-1;2-2-3;..1 |
a52e0 | 31 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b | 1.....3;1-2-3;2-1-1;2-2-3;2-1-8; |
a5300 | 00 02 31 32 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 | ..12.....1;1-1-3;2-2-3;..13..... |
a5320 | 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1a 00 00 00 43 4e 43 | 1;1-1-3;2-2-3;....smiles.....CNC |
a5340 | 28 3d 4f 29 4f 63 31 63 63 28 43 29 63 28 63 28 63 31 29 43 29 43 00 09 75 70 64 61 74 65 64 5f | (=O)Oc1cc(C)c(c(c1)C)C..updated_ |
a5360 | 61 74 00 e4 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 de 7e 7d 46 50 01 00 00 10 | at...}FP....created_at..~}FP.... |
a5380 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e | default_fingerprint_size......in |
a53a0 | 63 68 69 00 4d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 31 48 31 35 4e 4f 32 2f 63 31 2d 37 2d | chi.M...InChI=1S/C11H15NO2/c1-7- |
a53c0 | 35 2d 31 30 28 31 34 2d 31 31 28 31 33 29 31 32 2d 34 29 36 2d 38 28 32 29 39 28 37 29 33 2f 68 | 5-10(14-11(13)12-4)6-8(2)9(7)3/h |
a53e0 | 35 2d 36 48 2c 31 2d 34 48 33 2c 28 48 2c 31 32 2c 31 33 29 00 00 66 03 00 00 07 5f 69 64 00 56 | 5-6H,1-4H3,(H,12,13)..f...._id.V |
a5400 | 16 24 39 2b 72 ed 30 fb 00 00 d5 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | .$9+r.0.....warnings.......finge |
a5420 | 72 70 72 69 6e 74 73 00 5d 02 00 00 04 4d 50 32 44 00 52 02 00 00 02 30 00 0f 00 00 00 31 3b 31 | rprints.]....MP2D.R....0.....1;1 |
a5440 | 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 | -1-1;2-1-8;..1.....1;1-1-1;1-1-8 |
a5460 | 3b 32 2d 31 2d 31 32 3b 00 02 32 00 2a 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 | ;2-1-12;..2.*...8;1-1-1;1-1-12;2 |
a5480 | 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 33 00 1e 00 00 | -1-1;2-1-8;2-1-10;2-1-18;..3.... |
a54a0 | 00 31 32 3b 31 2d 32 2d 38 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 31 38 3b 32 2d 33 2d 31 3b 00 02 | .12;1-2-8;1-1-10;1-1-18;2-3-1;.. |
a54c0 | 34 00 18 00 00 00 31 38 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 30 3b 00 02 35 | 4.....18;1-1-12;2-2-8;2-1-10;..5 |
a54e0 | 00 2a 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b | .*...8;1-1-1;1-1-12;2-1-1;2-1-8; |
a5500 | 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 36 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | 2-1-10;2-1-18;..6.....1;1-1-1;1- |
a5520 | 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 | 1-8;2-1-12;..7.....1;1-1-1;2-1-8 |
a5540 | 3b 00 02 38 00 25 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 | ;..8.%...10;1-1-1;1-1-12;2-2-8;2 |
a5560 | 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 39 00 17 00 00 00 31 3b 31 2d 32 2d 31 30 3b 32 2d | -1-10;2-1-18;..9.....1;1-2-10;2- |
a5580 | 31 2d 33 3b 32 2d 31 2d 31 32 3b 00 02 31 30 00 1d 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 | 1-3;2-1-12;..10.....10;1-1-1;1-1 |
a55a0 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 31 00 1c 00 00 00 33 3b 31 2d 32 2d 33 | -3;2-2-3;2-1-10;..11.....3;1-2-3 |
a55c0 | 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 32 00 16 00 00 00 33 3b 31 | ;1-1-10;2-1-1;2-2-3;..12.....3;1 |
a55e0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 33 00 16 00 00 00 33 3b 31 2d 32 | -2-3;2-2-3;2-1-10;..13.....3;1-2 |
a5600 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 | -3;2-2-3;2-1-15;..14.....3;1-2-3 |
a5620 | 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 31 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | ;1-1-15;2-2-3;..15.....3;1-2-3;2 |
a5640 | 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | -2-3;2-1-15;..16.....3;1-2-3;2-2 |
a5660 | 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 37 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d | -3;2-1-10;..17.....15;1-1-3;2-2- |
a5680 | 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1d 00 00 00 43 43 4f 50 28 3d 53 29 28 4f 43 43 29 53 43 | 3;....smiles.....CCOP(=S)(OCC)SC |
a56a0 | 53 63 31 63 63 63 28 63 63 31 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 e7 89 7d 46 50 01 | Sc1ccc(cc1)Cl..updated_at...}FP. |
a56c0 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e5 7e 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at..~}FP....default_f |
a56e0 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 5c 00 00 00 49 | ingerprint_size......inchi.\...I |
a5700 | 6e 43 68 49 3d 31 53 2f 43 31 31 48 31 36 43 6c 4f 32 50 53 33 2f 63 31 2d 33 2d 31 33 2d 31 35 | nChI=1S/C11H16ClO2PS3/c1-3-13-15 |
a5720 | 28 31 36 2c 31 34 2d 34 2d 32 29 31 38 2d 39 2d 31 37 2d 31 31 2d 37 2d 35 2d 31 30 28 31 32 29 | (16,14-4-2)18-9-17-11-7-5-10(12) |
a5740 | 36 2d 38 2d 31 31 2f 68 35 2d 38 48 2c 33 2d 34 2c 39 48 32 2c 31 2d 32 48 33 00 00 26 04 00 00 | 6-8-11/h5-8H,3-4,9H2,1-2H3..&... |
a5760 | 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 d6 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V.$9+r.0.....warnings...... |
a5780 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 f4 02 00 00 04 4d 50 32 44 00 e9 02 00 00 02 30 00 10 | .fingerprints......MP2D......0.. |
a57a0 | 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 02 31 00 16 00 00 00 32 3b 31 2d 31 2d | ...9;1-1-2;2-1-28;..1.....2;1-1- |
a57c0 | 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 00 02 32 00 22 00 00 00 32 38 3b 31 2d 31 2d 31 3b | 9;1-1-28;2-1-1;..2."...28;1-1-1; |
a57e0 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 39 3b 00 02 33 00 29 00 00 00 | 1-1-2;2-1-1;2-1-5;2-1-9;..3.)... |
a5800 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 | 1;1-1-1;1-1-5;1-1-28;2-2-1;2-1-2 |
a5820 | 3b 32 2d 33 2d 31 35 3b 00 02 34 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 33 2d 31 35 3b 32 | ;2-3-15;..4.....1;1-1-1;1-3-15;2 |
a5840 | 2d 31 2d 35 3b 32 2d 31 2d 32 38 3b 00 02 35 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 | -1-5;2-1-28;..5.....15;1-1-1;2-1 |
a5860 | 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 36 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 | -1;2-2-15;..6.....15;1-1-1;2-1-1 |
a5880 | 3b 32 2d 32 2d 31 35 3b 00 02 37 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 | ;2-2-15;..7.....15;1-1-1;2-1-1;2 |
a58a0 | 2d 32 2d 31 35 3b 00 02 38 00 16 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d | -2-15;..8.....5;1-3-1;2-3-1;2-1- |
a58c0 | 32 38 3b 00 02 39 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 | 28;..9.....1;1-1-1;1-1-5;2-2-1;2 |
a58e0 | 2d 31 2d 35 3b 00 02 31 30 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d | -1-5;..10.....1;1-1-1;1-1-5;2-2- |
a5900 | 31 3b 32 2d 31 2d 35 3b 00 02 31 31 00 16 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 33 2d 31 3b 32 | 1;2-1-5;..11.....5;1-3-1;2-3-1;2 |
a5920 | 2d 31 2d 32 38 3b 00 02 31 32 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 | -1-28;..12.....1;1-1-1;1-1-5;2-2 |
a5940 | 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 33 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b | -1;2-1-5;..13.....1;1-1-1;1-1-5; |
a5960 | 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 34 00 29 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-2-1;2-1-5;..14.)...1;1-1-1;1-1 |
a5980 | 2d 35 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 33 2d 31 35 3b 00 02 31 | -5;1-1-28;2-2-1;2-1-2;2-3-15;..1 |
a59a0 | 35 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 33 2d 31 35 3b 32 2d 31 2d 35 3b 32 2d 31 2d 32 | 5.....1;1-1-1;1-3-15;2-1-5;2-1-2 |
a59c0 | 38 3b 00 02 31 36 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 35 | 8;..16.....15;1-1-1;2-1-1;2-2-15 |
a59e0 | 3b 00 02 31 37 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b | ;..17.....15;1-1-1;2-1-1;2-2-15; |
a5a00 | 00 02 31 38 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b 00 | ..18.....15;1-1-1;2-1-1;2-2-15;. |
a5a20 | 02 31 39 00 22 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 | .19."...28;1-1-1;1-1-2;2-1-1;2-1 |
a5a40 | 2d 35 3b 32 2d 31 2d 39 3b 00 02 32 30 00 16 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 | -5;2-1-9;..20.....2;1-1-9;1-1-28 |
a5a60 | 3b 32 2d 31 2d 31 3b 00 02 32 31 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 | ;2-1-1;..21.....9;1-1-2;2-1-28;. |
a5a80 | 00 00 02 73 6d 69 6c 65 73 00 2f 00 00 00 4f 3d 43 4e 43 28 43 28 43 6c 29 28 43 6c 29 43 6c 29 | ...smiles./...O=CNC(C(Cl)(Cl)Cl) |
a5aa0 | 4e 31 43 43 4e 28 43 43 31 29 43 28 43 28 43 6c 29 28 43 6c 29 43 6c 29 4e 43 3d 4f 00 09 75 70 | N1CCN(CC1)C(C(Cl)(Cl)Cl)NC=O..up |
a5ac0 | 64 61 74 65 64 5f 61 74 00 ea 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ec 7e 7d | dated_at...}FP....created_at..~} |
a5ae0 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
a5b00 | 00 00 00 02 69 6e 63 68 69 00 73 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 34 43 6c 36 | ....inchi.s...InChI=1S/C10H14Cl6 |
a5b20 | 4e 34 4f 32 2f 63 31 31 2d 39 28 31 32 2c 31 33 29 37 28 31 37 2d 35 2d 32 31 29 31 39 2d 31 2d | N4O2/c11-9(12,13)7(17-5-21)19-1- |
a5b40 | 32 2d 32 30 28 34 2d 33 2d 31 39 29 38 28 31 38 2d 36 2d 32 32 29 31 30 28 31 34 2c 31 35 29 31 | 2-20(4-3-19)8(18-6-22)10(14,15)1 |
a5b60 | 36 2f 68 35 2d 38 48 2c 31 2d 34 48 32 2c 28 48 2c 31 37 2c 32 31 29 28 48 2c 31 38 2c 32 32 29 | 6/h5-8H,1-4H2,(H,17,21)(H,18,22) |
a5b80 | 00 00 ef 02 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 d7 04 77 61 72 6e 69 6e 67 73 | ......._id.V.$9+r.0.....warnings |
a5ba0 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 f9 01 00 00 04 4d 50 32 44 00 ee 01 | .......fingerprints......MP2D... |
a5bc0 | 00 00 02 30 00 17 00 00 00 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 33 3b 00 | ...0.....3;1-1-11;1-1-18;2-2-3;. |
a5be0 | 02 31 00 17 00 00 00 31 38 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 | .1.....18;1-2-3;2-1-3;2-1-11;..2 |
a5c00 | 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 | .....3;1-1-3;1-1-18;2-2-3;2-1-11 |
a5c20 | 3b 00 02 33 00 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d | ;..3.$...3;1-2-3;1-1-11;2-1-3;2- |
a5c40 | 32 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 34 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 | 2-11;2-1-18;..4.....11;1-2-3;2-2 |
a5c60 | 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 35 00 24 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 32 2d 31 31 | -3;2-1-18;..5.$...3;1-1-3;1-2-11 |
a5c80 | 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 02 36 00 17 00 00 00 31 31 3b | ;2-3-3;2-1-11;2-1-13;..6.....11; |
a5ca0 | 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 37 00 1d 00 00 00 33 3b 31 2d 32 | 1-2-3;2-3-3;2-1-11;..7.....3;1-2 |
a5cc0 | 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 24 00 00 00 33 | -3;1-1-11;2-3-3;2-1-11;..8.$...3 |
a5ce0 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 | ;1-2-3;1-1-11;2-3-3;2-1-11;2-1-1 |
a5d00 | 33 3b 00 02 39 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 33 2d 33 3b | 3;..9.....11;1-2-3;1-1-13;2-3-3; |
a5d20 | 32 2d 31 2d 31 31 3b 00 02 31 30 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b | 2-1-11;..10.....13;1-1-11;2-2-3; |
a5d40 | 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 | ..11.....3;1-2-3;2-2-3;2-1-11;.. |
a5d60 | 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b | 12.....3;1-2-3;2-2-3;..13.....3; |
a5d80 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 1-2-3;2-2-3;..14.....3;1-2-3;2-2 |
a5da0 | 2d 33 3b 32 2d 31 2d 31 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 1c 00 00 00 63 31 73 63 63 28 6e | -3;2-1-11;....smiles.....c1scc(n |
a5dc0 | 31 29 63 31 6e 63 32 63 28 5b 6e 48 5d 31 29 63 63 63 63 32 00 09 75 70 64 61 74 65 64 5f 61 74 | 1)c1nc2c([nH]1)cccc2..updated_at |
a5de0 | 00 d1 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f4 7e 7d 46 50 01 00 00 10 64 65 | ...}FP....created_at..~}FP....de |
a5e00 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 | fault_fingerprint_size......inch |
a5e20 | 69 00 4a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 37 4e 33 53 2f 63 31 2d 32 2d 34 2d 38 | i.J...InChI=1S/C10H7N3S/c1-2-4-8 |
a5e40 | 2d 37 28 33 2d 31 29 31 32 2d 31 30 28 31 33 2d 38 29 39 2d 35 2d 31 34 2d 36 2d 31 31 2d 39 2f | -7(3-1)12-10(13-8)9-5-14-6-11-9/ |
a5e60 | 68 31 2d 36 48 2c 28 48 2c 31 32 2c 31 33 29 00 00 c7 02 00 00 07 5f 69 64 00 56 16 24 39 2b 72 | h1-6H,(H,12,13)......._id.V.$9+r |
a5e80 | ed 30 fb 00 00 d8 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .0.....warnings.......fingerprin |
a5ea0 | 74 73 00 da 01 00 00 04 4d 50 32 44 00 cf 01 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 | ts......MP2D......0.....15;1-1-3 |
a5ec0 | 3b 32 2d 32 2d 33 3b 00 02 31 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d | ;2-2-3;..1.....3;1-2-3;1-1-15;2- |
a5ee0 | 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 32 00 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | 2-3;2-2-15;..2.$...3;1-2-3;1-1-1 |
a5f00 | 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 31 39 3b 00 02 33 00 10 00 00 00 31 35 | 5;2-2-3;2-1-15;2-1-19;..3.....15 |
a5f20 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 34 00 2a 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | ;1-1-3;2-2-3;..4.*...3;1-2-3;1-1 |
a5f40 | 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 35 3b 32 2d 31 2d 33 32 3b 00 02 | -19;2-2-3;2-1-9;2-2-15;2-1-32;.. |
a5f60 | 35 00 1d 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 33 32 3b 32 2d 32 2d | 5.....19;1-1-3;1-1-9;1-1-32;2-2- |
a5f80 | 33 3b 00 02 36 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b | 3;..6.....9;1-1-19;2-1-3;2-1-32; |
a5fa0 | 00 02 37 00 17 00 00 00 33 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 | ..7.....32;1-1-19;2-1-3;2-1-9;.. |
a5fc0 | 38 00 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | 8.$...3;1-2-3;1-1-15;2-2-3;2-1-1 |
a5fe0 | 35 3b 32 2d 31 2d 31 39 3b 00 02 39 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b | 5;2-1-19;..9.....3;1-2-3;1-1-15; |
a6000 | 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 31 30 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 2-2-3;2-2-15;..10.....3;1-2-3;1- |
a6020 | 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 31 31 00 10 00 00 00 31 35 3b 31 2d | 1-15;2-2-3;2-2-15;..11.....15;1- |
a6040 | 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d | 1-3;2-2-3;..12.....15;1-1-3;2-2- |
a6060 | 33 3b 00 02 31 33 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d | 3;..13.....15;1-1-3;2-2-3;....sm |
a6080 | 69 6c 65 73 00 27 00 00 00 43 6c 63 31 63 28 43 6c 29 63 28 5b 4e 2b 5d 28 3d 4f 29 5b 4f 2d 5d | iles.'...Clc1c(Cl)c([N+](=O)[O-] |
a60a0 | 29 63 28 63 28 63 31 43 6c 29 43 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 ed 8b 7d 46 | )c(c(c1Cl)Cl)Cl..updated_at...}F |
a60c0 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 fb 7e 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at..~}FP....default |
a60e0 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 36 00 00 | _fingerprint_size......inchi.6.. |
a6100 | 00 49 6e 43 68 49 3d 31 53 2f 43 36 43 6c 35 4e 4f 32 2f 63 37 2d 31 2d 32 28 38 29 34 28 31 30 | .InChI=1S/C6Cl5NO2/c7-1-2(8)4(10 |
a6120 | 29 36 28 31 32 28 31 33 29 31 34 29 35 28 31 31 29 33 28 31 29 39 00 00 b5 03 00 00 07 5f 69 64 | )6(12(13)14)5(11)3(1)9......._id |
a6140 | 00 56 16 24 39 2b 72 ed 30 fb 00 00 d9 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V.$9+r.0.....warnings.......fin |
a6160 | 67 65 72 70 72 69 6e 74 73 00 96 02 00 00 04 4d 50 32 44 00 8b 02 00 00 02 30 00 10 00 00 00 31 | gerprints......MP2D......0.....1 |
a6180 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | ;1-1-1;2-1-10;..1.....1;1-1-1;1- |
a61a0 | 31 2d 31 30 3b 32 2d 31 2d 31 3b 00 02 32 00 10 00 00 00 31 30 3b 31 2d 32 2d 31 3b 32 2d 33 2d | 1-10;2-1-1;..2.....10;1-2-1;2-3- |
a61c0 | 31 3b 00 02 33 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 31 3b 00 | 1;..3.....1;1-2-1;1-1-10;2-2-1;. |
a61e0 | 02 34 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 35 00 | .4.....1;1-2-1;2-3-1;2-1-10;..5. |
a6200 | 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 36 00 1b 00 00 00 | ....1;1-3-1;2-1-1;2-2-2;..6..... |
a6220 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b 00 02 37 00 1b 00 | 1;1-1-1;1-1-2;2-3-1;2-1-9;..7... |
a6240 | 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 38 00 | ..2;1-2-1;1-1-9;2-1-1;2-2-2;..8. |
a6260 | 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 02 39 00 1b 00 00 00 31 3b 31 2d 33 2d | ....9;1-1-2;2-2-1;..9.....1;1-3- |
a6280 | 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 36 3b 32 2d 32 2d 39 3b 00 02 31 30 00 1b 00 00 00 32 3b 31 | 2;2-3-1;2-1-6;2-2-9;..10.....2;1 |
a62a0 | 2d 32 2d 31 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 31 00 0f 00 00 00 | -2-1;1-1-9;2-1-1;2-2-2;..11..... |
a62c0 | 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 02 31 32 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | 9;1-1-2;2-2-1;..12.....1;1-1-1;1 |
a62e0 | 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b 00 02 31 33 00 21 00 00 00 32 3b 31 2d 32 2d | -1-2;2-3-1;2-1-9;..13.!...2;1-2- |
a6300 | 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 34 00 15 | 1;1-1-6;2-1-1;2-2-2;2-1-9;..14.. |
a6320 | 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b 00 02 31 35 00 1b 00 00 00 | ...6;1-1-2;1-1-9;2-3-1;..15..... |
a6340 | 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 36 00 15 | 9;1-1-1;1-1-6;2-1-1;2-1-2;..16.. |
a6360 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 32 2d 31 2d 36 3b 00 02 31 37 00 0f 00 00 00 | ...1;1-1-1;1-1-9;2-1-6;..17..... |
a6380 | 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 31 38 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | 1;1-1-1;2-1-9;..18.....1;1-1-1;1 |
a63a0 | 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 39 00 0f 00 00 00 31 3b 31 2d 32 2d | -1-2;2-2-1;2-1-6;..19.....1;1-2- |
a63c0 | 31 3b 32 2d 31 2d 32 3b 00 02 32 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 | 1;2-1-2;..20.....1;1-1-1;2-1-1;. |
a63e0 | 02 32 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 00 00 00 | .21.....1;1-1-1;2-1-1;2-1-10;... |
a6400 | 02 73 6d 69 6c 65 73 00 26 00 00 00 43 43 53 43 28 43 43 31 43 43 28 3d 4f 29 43 28 43 28 3d 4f | .smiles.&...CCSC(CC1CC(=O)C(C(=O |
a6420 | 29 43 31 29 43 28 3d 4e 4f 43 43 29 43 43 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 f2 89 | )C1)C(=NOCC)CCC)C..updated_at... |
a6440 | 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 02 7f 7d 46 50 01 00 00 10 64 65 66 61 75 | }FP....created_at...}FP....defau |
a6460 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 69 | lt_fingerprint_size......inchi.i |
a6480 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 37 48 32 39 4e 4f 33 53 2f 63 31 2d 35 2d 38 2d 31 34 | ...InChI=1S/C17H29NO3S/c1-5-8-14 |
a64a0 | 28 31 38 2d 32 31 2d 36 2d 32 29 31 37 2d 31 35 28 31 39 29 31 30 2d 31 33 28 31 31 2d 31 36 28 | (18-21-6-2)17-15(19)10-13(11-16( |
a64c0 | 31 37 29 32 30 29 39 2d 31 32 28 34 29 32 32 2d 37 2d 33 2f 68 31 32 2d 31 33 2c 31 37 48 2c 35 | 17)20)9-12(4)22-7-3/h12-13,17H,5 |
a64e0 | 2d 31 31 48 32 2c 31 2d 34 48 33 00 00 a6 02 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 | -11H2,1-4H3......._id.V.$9+r.0.. |
a6500 | 00 da 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b7 | ...warnings.......fingerprints.. |
a6520 | 01 00 00 04 4d 50 32 44 00 ac 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d | ....MP2D......0.....1;1-1-1;2-1- |
a6540 | 32 38 3b 00 02 31 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b | 28;..1.....1;1-1-1;1-1-28;2-1-1; |
a6560 | 32 2d 31 2d 32 3b 00 02 32 00 23 00 00 00 32 38 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 | 2-1-2;..2.#...28;1-2-1;1-1-2;2-3 |
a6580 | 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 30 3b 00 02 33 00 1d 00 00 00 32 3b 31 2d 31 2d 39 3b | -1;2-1-9;2-1-10;..3.....2;1-1-9; |
a65a0 | 31 2d 31 2d 31 30 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 00 02 34 00 17 00 00 00 39 3b 31 2d | 1-1-10;1-1-28;2-3-1;..4.....9;1- |
a65c0 | 31 2d 32 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 32 38 3b 00 02 35 00 23 00 00 00 31 30 3b 31 2d 31 | 1-2;2-1-10;2-1-28;..5.#...10;1-1 |
a65e0 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 36 00 | -1;1-1-2;2-1-1;2-1-9;2-1-28;..6. |
a6600 | 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 00 02 37 00 10 00 00 | ....1;1-1-1;1-1-10;2-1-2;..7.... |
a6620 | 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 38 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b | .1;1-1-1;2-1-10;..8.....1;1-2-1; |
a6640 | 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 39 00 16 00 00 00 31 3b 31 2d 32 | 1-1-28;2-3-1;2-1-2;..9.....1;1-2 |
a6660 | 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 0f 00 00 00 31 3b 31 2d 32 2d 31 | -1;2-2-1;2-1-28;..10.....1;1-2-1 |
a6680 | 3b 32 2d 32 2d 31 3b 00 02 31 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 | ;2-2-1;..11.....1;1-2-1;2-2-1;.. |
a66a0 | 31 32 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 33 00 16 00 00 00 31 3b | 12.....1;1-2-1;2-2-1;..13.....1; |
a66c0 | 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 16 00 | 1-2-1;2-2-1;2-1-28;....smiles... |
a66e0 | 00 00 43 43 4e 28 43 28 3d 4f 29 53 43 43 29 43 31 43 43 43 43 43 31 00 09 75 70 64 61 74 65 64 | ..CCN(C(=O)SCC)C1CCCCC1..updated |
a6700 | 5f 61 74 00 f4 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 0e 7f 7d 46 50 01 00 00 | _at...}FP....created_at...}FP... |
a6720 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 | .default_fingerprint_size......i |
a6740 | 6e 63 68 69 00 49 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 31 48 32 31 4e 4f 53 2f 63 31 2d 33 | nchi.I...InChI=1S/C11H21NOS/c1-3 |
a6760 | 2d 31 32 28 31 31 28 31 33 29 31 34 2d 34 2d 32 29 31 30 2d 38 2d 36 2d 35 2d 37 2d 39 2d 31 30 | -12(11(13)14-4-2)10-8-6-5-7-9-10 |
a6780 | 2f 68 31 30 48 2c 33 2d 39 48 32 2c 31 2d 32 48 33 00 00 be 04 00 00 07 5f 69 64 00 56 16 24 39 | /h10H,3-9H2,1-2H3......._id.V.$9 |
a67a0 | 2b 72 ed 30 fb 00 00 db 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.0.....warnings.......fingerpr |
a67c0 | 69 6e 74 73 00 76 03 00 00 04 4d 50 32 44 00 6b 03 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 | ints.v....MP2D.k....0.....15;1-1 |
a67e0 | 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b | -1;2-1-1;..1.....1;1-1-1;1-1-15; |
a6800 | 32 2d 31 2d 38 3b 00 02 32 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d | 2-1-8;..2.....1;1-1-1;1-1-8;2-1- |
a6820 | 33 3b 32 2d 31 2d 31 35 3b 00 02 33 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 | 3;2-1-15;..3.....8;1-1-1;1-1-3;2 |
a6840 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 | -1-1;2-2-3;..4."...3;1-2-3;1-1-8 |
a6860 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 35 00 15 00 00 00 33 3b 31 2d | ;2-1-1;2-2-3;2-1-30;..5.....3;1- |
a6880 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b | 2-3;2-2-3;2-1-8;..6.....3;1-2-3; |
a68a0 | 32 2d 32 2d 33 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 | 2-2-3;..7.....3;1-2-3;2-2-3;..8. |
a68c0 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 39 00 29 00 00 | ....3;1-2-3;2-2-3;2-1-30;..9.).. |
a68e0 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 33 30 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d | .3;1-2-3;1-1-30;2-2-3;2-1-8;2-2- |
a6900 | 39 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 23 00 00 00 33 30 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 | 9;2-1-28;..10.#...30;1-1-3;1-2-9 |
a6920 | 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 31 00 1d 00 00 00 39 3b 31 | ;1-1-28;2-1-2;2-2-3;..11.....9;1 |
a6940 | 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 1d 00 | -1-30;2-1-3;2-1-9;2-1-28;..12... |
a6960 | 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 | ..9;1-1-30;2-1-3;2-1-9;2-1-28;.. |
a6980 | 31 33 00 24 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 33 | 13.$...28;1-1-2;1-1-30;2-1-3;2-3 |
a69a0 | 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 34 00 1d 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 32 2d 32 | -9;2-1-28;..14.....2;1-1-9;1-2-2 |
a69c0 | 38 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 35 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b | 8;2-1-3;2-1-30;..15.....9;1-1-2; |
a69e0 | 32 2d 32 2d 32 38 3b 00 02 31 36 00 24 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 | 2-2-28;..16.$...28;1-1-2;1-1-3;2 |
a6a00 | 2d 31 2d 39 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 31 37 00 1d 00 00 00 33 3b 31 2d | -1-9;2-2-11;2-1-28;..17.....3;1- |
a6a20 | 32 2d 31 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 38 00 1e 00 00 | 2-11;1-1-28;2-1-2;2-2-3;..18.... |
a6a40 | 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 | .11;1-2-3;2-1-1;2-2-11;2-1-28;.. |
a6a60 | 31 39 00 16 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 32 30 | 19.....3;1-1-1;1-2-11;2-2-3;..20 |
a6a80 | 00 10 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 32 31 00 1d 00 00 00 31 31 3b | .....1;1-1-3;2-2-11;..21.....11; |
a6aa0 | 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 31 3b 00 02 32 32 00 1c 00 | 1-2-3;2-1-1;2-1-8;2-2-11;..22... |
a6ac0 | 00 00 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 | ..3;1-1-8;1-2-11;2-1-1;2-2-3;..2 |
a6ae0 | 33 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d | 3.....11;1-2-3;2-1-8;2-2-11;2-1- |
a6b00 | 32 38 3b 00 02 32 34 00 16 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 | 28;..24.....8;1-1-1;1-1-3;2-2-11 |
a6b20 | 3b 00 02 32 35 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 6c | ;..25.....1;1-1-8;2-1-3;....smil |
a6b40 | 65 73 00 2d 00 00 00 43 6c 43 43 4f 63 31 63 63 63 63 63 31 53 28 3d 4f 29 28 3d 4f 29 4e 43 28 | es.-...ClCCOc1ccccc1S(=O)(=O)NC( |
a6b60 | 3d 4f 29 4e 63 31 6e 63 28 43 29 6e 63 28 6e 31 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 | =O)Nc1nc(C)nc(n1)OC..updated_at. |
a6b80 | f7 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 16 7f 7d 46 50 01 00 00 10 64 65 66 | ..}FP....created_at...}FP....def |
a6ba0 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
a6bc0 | 00 8b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 36 43 6c 4e 35 4f 35 53 2f 63 31 2d 39 | .....InChI=1S/C14H16ClN5O5S/c1-9 |
a6be0 | 2d 31 36 2d 31 32 28 31 39 2d 31 34 28 31 37 2d 39 29 32 34 2d 32 29 31 38 2d 31 33 28 32 31 29 | -16-12(19-14(17-9)24-2)18-13(21) |
a6c00 | 32 30 2d 32 36 28 32 32 2c 32 33 29 31 31 2d 36 2d 34 2d 33 2d 35 2d 31 30 28 31 31 29 32 35 2d | 20-26(22,23)11-6-4-3-5-10(11)25- |
a6c20 | 38 2d 37 2d 31 35 2f 68 33 2d 36 48 2c 37 2d 38 48 32 2c 31 2d 32 48 33 2c 28 48 32 2c 31 36 2c | 8-7-15/h3-6H,7-8H2,1-2H3,(H2,16, |
a6c40 | 31 37 2c 31 38 2c 31 39 2c 32 30 2c 32 31 29 00 00 26 03 00 00 07 5f 69 64 00 56 16 24 39 2b 72 | 17,18,19,20,21)..&...._id.V.$9+r |
a6c60 | ed 30 fb 00 00 dc 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .0.....warnings.......fingerprin |
a6c80 | 74 73 00 23 02 00 00 04 4d 50 32 44 00 18 02 00 00 02 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 | ts.#....MP2D......0.....32;1-1-2 |
a6ca0 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 31 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d | ;2-1-1;2-1-32;..1.....2;1-1-1;1- |
a6cc0 | 32 2d 33 32 3b 32 2d 31 2d 38 3b 00 02 32 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d | 2-32;2-1-8;..2.....32;1-1-2;2-1- |
a6ce0 | 31 3b 32 2d 31 2d 33 32 3b 00 02 33 00 1c 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 | 1;2-1-32;..3.....1;1-1-2;1-1-8;2 |
a6d00 | 2d 31 2d 33 3b 32 2d 32 2d 33 32 3b 00 02 34 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -1-3;2-2-32;..4."...8;1-1-1;1-1- |
a6d20 | 33 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 35 00 29 00 00 00 33 3b 31 | 3;2-1-2;2-1-3;2-1-11;..5.)...3;1 |
a6d40 | 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d | -1-3;1-1-8;1-1-11;2-1-1;2-2-3;2- |
a6d60 | 31 2d 31 35 3b 00 02 36 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 1-15;..6.....11;1-2-3;2-2-3;2-1- |
a6d80 | 38 3b 32 2d 31 2d 31 36 3b 00 02 37 00 24 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b | 8;2-1-16;..7.$...3;1-1-3;1-1-11; |
a6da0 | 31 2d 31 2d 31 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 38 00 17 00 00 00 31 36 3b 31 | 1-1-16;2-2-3;2-1-15;..8.....16;1 |
a6dc0 | 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 39 00 2b 00 00 00 33 3b 31 2d 32 2d | -1-3;2-1-3;2-1-11;..9.+...3;1-2- |
a6de0 | 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 36 3b 32 2d 31 | 3;1-1-15;2-1-3;2-1-11;2-1-16;2-1 |
a6e00 | 2d 31 39 3b 00 02 31 30 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d | -19;..10.....3;1-2-3;1-1-19;2-2- |
a6e20 | 33 3b 32 2d 32 2d 31 35 3b 00 02 31 31 00 2a 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 | 3;2-2-15;..11.*...3;1-2-3;1-1-15 |
a6e40 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 31 32 00 | ;2-1-3;2-1-8;2-1-11;2-1-19;..12. |
a6e60 | 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 10 00 00 00 31 39 3b 31 | ....15;1-1-3;2-2-3;..13.....19;1 |
a6e80 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 | -1-3;2-2-3;..14.....15;1-1-3;2-2 |
a6ea0 | 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1d 00 00 00 4f 43 28 3d 4f 29 43 4f 63 31 6e 63 28 46 | -3;....smiles.....OC(=O)COc1nc(F |
a6ec0 | 29 63 28 63 28 63 31 43 6c 29 4e 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 fa 89 7d 46 50 | )c(c(c1Cl)N)Cl..updated_at...}FP |
a6ee0 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 1d 7f 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at...}FP....default_ |
a6f00 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 56 00 00 00 | fingerprint_size......inchi.V... |
a6f20 | 49 6e 43 68 49 3d 31 53 2f 43 37 48 35 43 6c 32 46 4e 32 4f 33 2f 63 38 2d 33 2d 35 28 31 31 29 | InChI=1S/C7H5Cl2FN2O3/c8-3-5(11) |
a6f40 | 34 28 39 29 37 28 31 32 2d 36 28 33 29 31 30 29 31 35 2d 31 2d 32 28 31 33 29 31 34 2f 68 31 48 | 4(9)7(12-6(3)10)15-1-2(13)14/h1H |
a6f60 | 32 2c 28 48 32 2c 31 31 2c 31 32 29 28 48 2c 31 33 2c 31 34 29 00 00 08 04 00 00 07 5f 69 64 00 | 2,(H2,11,12)(H,13,14)......._id. |
a6f80 | 56 16 24 39 2b 72 ed 30 fb 00 00 dd 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V.$9+r.0.....warnings.......fing |
a6fa0 | 65 72 70 72 69 6e 74 73 00 de 02 00 00 04 4d 50 32 44 00 d3 02 00 00 02 30 00 0f 00 00 00 34 3b | erprints......MP2D......0.....4; |
a6fc0 | 31 2d 31 2d 34 3b 32 2d 31 2d 31 3b 00 02 31 00 15 00 00 00 34 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 1-1-4;2-1-1;..1.....4;1-1-1;1-1- |
a6fe0 | 34 3b 32 2d 31 2d 32 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 34 3b 32 2d | 4;2-1-2;..2.....1;1-1-2;1-1-4;2- |
a7000 | 32 2d 32 3b 32 2d 31 2d 34 3b 00 02 33 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b | 2-2;2-1-4;..3.!...2;1-1-1;1-2-2; |
a7020 | 32 2d 33 2d 31 3b 32 2d 31 2d 34 3b 32 2d 31 2d 39 3b 00 02 34 00 21 00 00 00 32 3b 31 2d 32 2d | 2-3-1;2-1-4;2-1-9;..4.!...2;1-2- |
a7040 | 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 35 00 15 00 | 1;1-1-2;2-2-1;2-1-2;2-1-8;..5... |
a7060 | 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 36 00 21 00 00 00 31 3b | ..1;1-1-2;2-1-1;2-1-2;..6.!...1; |
a7080 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 33 2d 32 3b 00 02 | 1-1-1;1-1-2;1-1-8;2-1-1;2-3-2;.. |
a70a0 | 37 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 32 2d 31 2d 38 3b | 7.!...1;1-1-1;1-1-2;2-2-2;2-1-8; |
a70c0 | 32 2d 31 2d 39 3b 00 02 38 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d | 2-1-9;..8.!...2;1-1-1;1-1-2;1-1- |
a70e0 | 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 39 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d | 9;2-2-1;2-1-2;..9.....9;1-1-2;2- |
a7100 | 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 30 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | 1-1;2-1-2;..10.!...8;1-1-1;1-1-2 |
a7120 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 31 00 1b 00 00 00 32 3b 31 2d | ;2-2-1;2-1-2;2-1-9;..11.....2;1- |
a7140 | 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b 00 02 31 32 00 15 00 00 00 39 | 1-1;1-1-8;1-1-9;2-3-1;..12.....9 |
a7160 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 33 00 27 00 00 00 31 3b 31 2d | ;1-1-2;2-1-1;2-1-8;..13.'...1;1- |
a7180 | 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d | 2-1;1-1-2;2-4-1;2-1-2;2-1-8;2-1- |
a71a0 | 39 3b 00 02 31 34 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 | 9;..14.....1;1-2-1;1-1-2;2-4-1;2 |
a71c0 | 2d 32 2d 32 3b 00 02 31 35 00 15 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d | -2-2;..15.....1;1-4-1;2-2-1;2-2- |
a71e0 | 32 3b 00 02 31 36 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 37 00 0f 00 | 2;..16.....1;1-1-1;2-3-1;..17... |
a7200 | 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 38 00 15 00 00 00 32 3b 31 2d 31 2d 31 | ..1;1-1-1;2-3-1;..18.....2;1-1-1 |
a7220 | 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 00 02 31 39 00 15 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d | ;1-1-2;2-4-1;..19.....2;1-2-1;1- |
a7240 | 31 2d 32 3b 32 2d 31 2d 31 3b 00 02 32 30 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 | 1-2;2-1-1;..20.....1;1-1-2;2-1-1 |
a7260 | 3b 32 2d 31 2d 32 3b 00 02 32 31 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d | ;2-1-2;..21.....1;1-1-2;2-1-1;2- |
a7280 | 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 2c 00 00 00 43 23 43 43 43 31 3d 43 28 43 29 43 28 | 1-2;....smiles.,...C#CCC1=C(C)C( |
a72a0 | 43 43 31 3d 4f 29 4f 43 28 3d 4f 29 43 31 43 28 43 31 28 43 29 43 29 43 3d 43 28 43 29 43 00 09 | CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C.. |
a72c0 | 75 70 64 61 74 65 64 5f 61 74 00 fd 89 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 24 | updated_at...}FP....created_at.$ |
a72e0 | 7f 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | .}FP....default_fingerprint_size |
a7300 | 00 00 00 00 00 02 69 6e 63 68 69 00 6e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 39 48 32 34 4f | ......inchi.n...InChI=1S/C19H24O |
a7320 | 33 2f 63 31 2d 37 2d 38 2d 31 33 2d 31 32 28 34 29 31 36 28 31 30 2d 31 35 28 31 33 29 32 30 29 | 3/c1-7-8-13-12(4)16(10-15(13)20) |
a7340 | 32 32 2d 31 38 28 32 31 29 31 37 2d 31 34 28 39 2d 31 31 28 32 29 33 29 31 39 28 31 37 2c 35 29 | 22-18(21)17-14(9-11(2)3)19(17,5) |
a7360 | 36 2f 68 31 2c 39 2c 31 34 2c 31 36 2d 31 37 48 2c 38 2c 31 30 48 32 2c 32 2d 36 48 33 00 00 dc | 6/h1,9,14,16-17H,8,10H2,2-6H3... |
a7380 | 03 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 de 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V.$9+r.0.....warnings... |
a73a0 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c4 02 00 00 04 4d 50 32 44 00 b9 02 00 00 02 | ....fingerprints......MP2D...... |
a73c0 | 30 00 10 00 00 00 31 34 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 00 1c 00 00 00 31 3b 31 | 0.....14;1-1-1;2-2-1;..1.....1;1 |
a73e0 | 2d 32 2d 31 3b 31 2d 31 2d 31 34 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 00 1c 00 00 00 | -2-1;1-1-14;2-1-1;2-1-8;..2..... |
a7400 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 34 3b 00 02 33 00 15 | 1;1-1-1;1-1-8;2-2-1;2-1-14;..3.. |
a7420 | 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 33 3b 00 02 34 00 28 00 00 00 31 | ...8;1-2-1;2-3-1;2-1-3;..4.(...1 |
a7440 | 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 | ;1-2-1;1-1-3;1-1-8;2-2-1;2-2-3;2 |
a7460 | 2d 31 2d 31 31 3b 00 02 35 00 22 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d | -1-11;..5."...1;1-2-1;2-2-1;2-1- |
a7480 | 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 34 3b 00 02 36 00 29 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | 3;2-1-8;2-1-14;..6.)...1;1-1-1;1 |
a74a0 | 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 | -1-11;2-1-1;2-2-3;2-1-8;2-1-11;. |
a74c0 | 02 37 00 2a 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 | .7.*...11;1-1-1;1-1-3;1-1-11;2-1 |
a74e0 | 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 | -1;2-1-3;2-1-11;..8.....3;1-2-11 |
a7500 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 39 00 11 00 00 00 31 31 3b 31 | ;2-1-1;2-1-3;2-1-11;..9.....11;1 |
a7520 | 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 30 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d | -2-3;2-2-11;..10.....3;1-2-11;2- |
a7540 | 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 24 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 | 1-3;2-1-11;..11.$...11;1-1-3;1-1 |
a7560 | 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 32 00 28 00 00 00 | -11;2-1-1;2-1-3;2-1-11;..12.(... |
a7580 | 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b | 3;1-1-1;1-2-3;2-2-1;2-2-3;2-1-8; |
a75a0 | 32 2d 31 2d 31 35 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | 2-1-15;..13.....3;1-2-3;2-1-1;2- |
a75c0 | 32 2d 33 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | 2-3;..14.....3;1-2-3;2-2-3;2-1-1 |
a75e0 | 35 3b 00 02 31 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b | 5;..15.....3;1-2-3;1-1-15;2-2-3; |
a7600 | 00 02 31 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 | ..16.....3;1-2-3;2-2-3;2-2-15;.. |
a7620 | 31 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 32 2d | 17.....3;1-2-3;1-1-15;2-1-1;2-2- |
a7640 | 33 3b 00 02 31 38 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 39 00 10 | 3;..18.....15;1-1-3;2-2-3;..19.. |
a7660 | 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 24 00 00 | ...15;1-1-3;2-2-3;....smiles.$.. |
a7680 | 00 42 72 43 31 43 4f 43 28 43 31 29 28 43 6e 31 63 6e 63 6e 31 29 63 31 63 63 63 28 63 63 31 43 | .BrC1COC(C1)(Cn1cncn1)c1ccc(cc1C |
a76a0 | 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 00 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 | l)Cl..updated_at...}FP....create |
a76c0 | 64 5f 61 74 00 2c 7f 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.,.}FP....default_fingerprin |
a76e0 | 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 64 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.d...InChI=1S/C |
a7700 | 31 33 48 31 32 42 72 43 6c 32 4e 33 4f 2f 63 31 34 2d 39 2d 34 2d 31 33 28 32 30 2d 35 2d 39 2c | 13H12BrCl2N3O/c14-9-4-13(20-5-9, |
a7720 | 36 2d 31 39 2d 38 2d 31 37 2d 37 2d 31 38 2d 31 39 29 31 31 2d 32 2d 31 2d 31 30 28 31 35 29 33 | 6-19-8-17-7-18-19)11-2-1-10(15)3 |
a7740 | 2d 31 32 28 31 31 29 31 36 2f 68 31 2d 33 2c 37 2d 39 48 2c 34 2d 36 48 32 00 00 db 01 00 00 07 | -12(11)16/h1-3,7-9H,4-6H2....... |
a7760 | 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 df 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V.$9+r.0.....warnings....... |
a7780 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 0f 01 00 00 04 4d 50 32 44 00 04 01 00 00 02 30 00 11 00 | fingerprints......MP2D......0... |
a77a0 | 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 00 25 00 00 00 33 3b 31 2d 32 2d | ..19;1-1-3;2-2-11;..1.%...3;1-2- |
a77c0 | 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 02 | 11;1-1-19;2-1-3;2-1-11;2-1-13;.. |
a77e0 | 32 00 18 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 33 | 2.....11;1-2-3;2-2-11;2-1-19;..3 |
a7800 | 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 34 00 25 | .....3;1-2-11;2-1-3;2-1-11;..4.% |
a7820 | 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b | ...11;1-1-3;1-1-11;2-1-3;2-1-11; |
a7840 | 32 2d 31 2d 31 33 3b 00 02 35 00 2c 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 | 2-1-13;..5.,...11;1-1-3;1-1-11;1 |
a7860 | 2d 31 2d 31 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 36 00 18 00 | -1-13;2-1-3;2-1-11;2-1-19;..6... |
a7880 | 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 00 00 02 73 6d 69 | ..13;1-1-11;2-1-3;2-1-11;....smi |
a78a0 | 6c 65 73 00 0c 00 00 00 4e 63 31 6e 63 6e 5b 6e 48 5d 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 | les.....Nc1ncn[nH]1..updated_at. |
a78c0 | 3c 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 33 7f 7d 46 50 01 00 00 10 64 65 66 | <.}FP....created_at.3.}FP....def |
a78e0 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
a7900 | 00 30 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 34 4e 34 2f 63 33 2d 32 2d 34 2d 31 2d 35 2d | .0...InChI=1S/C2H4N4/c3-2-4-1-5- |
a7920 | 36 2d 32 2f 68 31 48 2c 28 48 33 2c 33 2c 34 2c 35 2c 36 29 00 00 51 04 00 00 07 5f 69 64 00 56 | 6-2/h1H,(H3,3,4,5,6)..Q...._id.V |
a7940 | 16 24 39 2b 72 ed 30 fb 00 00 e0 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | .$9+r.0.....warnings.......finge |
a7960 | 72 70 72 69 6e 74 73 00 21 03 00 00 04 4d 50 32 44 00 16 03 00 00 02 30 00 10 00 00 00 39 3b 31 | rprints.!....MP2D......0.....9;1 |
a7980 | 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 31 00 1c 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 32 2d | -1-2;2-2-28;..1.....2;1-1-9;1-2- |
a79a0 | 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 32 00 1d 00 00 00 32 38 3b 31 2d 32 2d 32 3b | 28;2-1-2;2-1-3;..2.....28;1-2-2; |
a79c0 | 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 33 00 22 00 00 00 32 3b 31 2d 31 | 2-1-3;2-2-9;2-1-28;..3."...2;1-1 |
a79e0 | 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 00 | -3;1-1-9;1-1-28;2-1-2;2-2-3;..4. |
a7a00 | 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 35 00 29 00 00 | ....9;1-1-2;2-1-3;2-1-28;..5.).. |
a7a20 | 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 | .3;1-1-2;1-2-3;2-2-3;2-1-9;2-2-1 |
a7a40 | 36 3b 32 2d 31 2d 32 38 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 36 3b | 6;2-1-28;..6.....3;1-2-3;1-1-16; |
a7a60 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b 32 2d 32 | 2-1-2;2-2-3;..7.....16;1-1-3;2-2 |
a7a80 | 2d 33 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b | -3;..8.....3;1-2-3;2-2-3;2-1-16; |
a7aa0 | 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 16 00 00 00 33 | ..9.....3;1-2-3;2-2-3;..10.....3 |
a7ac0 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 31 31 00 1c 00 00 00 33 3b 31 | ;1-2-3;2-2-3;2-1-16;..11.....3;1 |
a7ae0 | 2d 32 2d 33 3b 31 2d 31 2d 31 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 32 00 10 00 00 | -2-3;1-1-16;2-1-2;2-2-3;..12.... |
a7b00 | 00 31 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 23 00 00 00 32 38 3b 31 2d 31 2d | .16;1-1-3;2-2-3;..13.#...28;1-1- |
a7b20 | 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 34 00 | 2;1-1-3;2-2-3;2-1-9;2-1-28;..14. |
a7b40 | 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 | #...3;1-2-3;1-1-28;2-1-2;2-2-3;2 |
a7b60 | 2d 31 2d 31 36 3b 00 02 31 35 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | -1-16;..15.....3;1-2-3;2-2-3;2-1 |
a7b80 | 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 02 31 36 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | -15;2-1-28;..16.....3;1-2-3;1-1- |
a7ba0 | 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 31 37 00 10 00 00 00 31 35 3b 31 2d 31 2d | 15;2-2-3;2-1-16;..17.....15;1-1- |
a7bc0 | 33 3b 32 2d 32 2d 33 3b 00 02 31 38 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 36 3b | 3;2-2-3;..18.....3;1-2-3;1-1-16; |
a7be0 | 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 31 39 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 2-2-3;2-2-15;..19.....3;1-2-3;1- |
a7c00 | 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 30 00 24 00 00 00 33 3b 31 2d 32 | 1-15;2-2-3;2-2-16;..20.$...3;1-2 |
a7c20 | 2d 33 3b 31 2d 31 2d 31 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 02 | -3;1-1-16;2-2-3;2-1-15;2-1-28;.. |
a7c40 | 32 31 00 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 32 00 10 00 00 00 31 | 21.....16;1-1-3;2-2-3;..22.....1 |
a7c60 | 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 33 00 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b | 5;1-1-3;2-2-3;..23.....16;1-1-3; |
a7c80 | 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 2d 00 00 00 4f 3d 43 28 4e 43 28 3d 4f 29 63 | 2-2-3;....smiles.-...O=C(NC(=O)c |
a7ca0 | 31 63 28 46 29 63 63 63 63 31 46 29 4e 63 31 63 63 28 43 6c 29 63 28 63 28 63 31 46 29 43 6c 29 | 1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl) |
a7cc0 | 46 00 09 75 70 64 61 74 65 64 5f 61 74 00 53 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | F..updated_at.S.}FP....created_a |
a7ce0 | 74 00 3a 7f 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t.:.}FP....default_fingerprint_s |
a7d00 | 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 73 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 | ize......inchi.s...InChI=1S/C14H |
a7d20 | 36 43 6c 32 46 34 4e 32 4f 32 2f 63 31 35 2d 35 2d 34 2d 38 28 31 32 28 32 30 29 31 30 28 31 36 | 6Cl2F4N2O2/c15-5-4-8(12(20)10(16 |
a7d40 | 29 31 31 28 35 29 31 39 29 32 31 2d 31 34 28 32 34 29 32 32 2d 31 33 28 32 33 29 39 2d 36 28 31 | )11(5)19)21-14(24)22-13(23)9-6(1 |
a7d60 | 37 29 32 2d 31 2d 33 2d 37 28 39 29 31 38 2f 68 31 2d 34 48 2c 28 48 32 2c 32 31 2c 32 32 2c 32 | 7)2-1-3-7(9)18/h1-4H,(H2,21,22,2 |
a7d80 | 33 2c 32 34 29 00 00 3f 03 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 e1 04 77 61 72 | 3,24)..?...._id.V.$9+r.0.....war |
a7da0 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 3e 02 00 00 04 4d 50 | nings.......fingerprints.>....MP |
a7dc0 | 32 44 00 33 02 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | 2D.3....0.....15;1-1-3;2-2-3;..1 |
a7de0 | 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 | .....3;1-2-3;1-1-15;2-2-3;..2... |
a7e00 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 33 00 15 00 00 00 33 | ..3;1-2-3;2-2-3;2-1-15;..3.....3 |
a7e20 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d 32 | ;1-2-3;2-2-3;2-1-8;..4.....3;1-2 |
a7e40 | 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 35 00 15 00 00 00 33 3b | -3;1-1-8;2-2-3;2-1-30;..5.....3; |
a7e60 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d | 1-2-3;2-2-3;2-1-8;..6.....3;1-2- |
a7e80 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 37 00 1c 00 00 00 38 3b 31 2d 31 2d 33 3b 31 | 3;2-2-3;2-1-15;..7.....8;1-1-3;1 |
a7ea0 | 2d 31 2d 33 30 3b 32 2d 33 2d 33 3b 32 2d 32 2d 39 3b 00 02 38 00 1c 00 00 00 33 30 3b 31 2d 31 | -1-30;2-3-3;2-2-9;..8.....30;1-1 |
a7ec0 | 2d 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d 33 2d 33 3b 00 02 39 00 1c 00 00 00 39 3b 31 | -3;1-1-8;1-2-9;2-3-3;..9.....9;1 |
a7ee0 | 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 30 00 1c 00 00 | -1-30;2-1-3;2-1-8;2-1-9;..10.... |
a7f00 | 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 31 | .9;1-1-30;2-1-3;2-1-8;2-1-9;..11 |
a7f20 | 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 33 30 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b | ."...3;1-2-3;1-1-30;2-2-3;2-1-8; |
a7f40 | 32 2d 32 2d 39 3b 00 02 31 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | 2-2-9;..12.....3;1-2-3;2-2-3;2-1 |
a7f60 | 2d 33 30 3b 00 02 31 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | -30;..13.....3;1-2-3;2-2-3;2-1-1 |
a7f80 | 35 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b | 5;..14.....3;1-2-3;1-1-15;2-2-3; |
a7fa0 | 00 02 31 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 | ..15.....3;1-2-3;2-2-3;2-1-15;.. |
a7fc0 | 31 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 37 | 16.....3;1-2-3;2-2-3;2-1-30;..17 |
a7fe0 | 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 23 | .....15;1-1-3;2-2-3;....smiles.# |
a8000 | 00 00 00 43 6c 63 31 63 63 63 28 63 63 31 29 4f 53 28 3d 4f 29 28 3d 4f 29 63 31 63 63 63 28 63 | ...Clc1ccc(cc1)OS(=O)(=O)c1ccc(c |
a8020 | 63 31 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 08 8a 7d 46 50 01 00 00 09 63 72 65 61 74 | c1)Cl..updated_at...}FP....creat |
a8040 | 65 64 5f 61 74 00 42 7f 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at.B.}FP....default_fingerpri |
a8060 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 4e 00 00 00 49 6e 43 68 49 3d 31 53 2f | nt_size......inchi.N...InChI=1S/ |
a8080 | 43 31 32 48 38 43 6c 32 4f 33 53 2f 63 31 33 2d 39 2d 31 2d 35 2d 31 31 28 36 2d 32 2d 39 29 31 | C12H8Cl2O3S/c13-9-1-5-11(6-2-9)1 |
a80a0 | 37 2d 31 38 28 31 35 2c 31 36 29 31 32 2d 37 2d 33 2d 31 30 28 31 34 29 34 2d 38 2d 31 32 2f 68 | 7-18(15,16)12-7-3-10(14)4-8-12/h |
a80c0 | 31 2d 38 48 00 00 fe 03 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 e2 04 77 61 72 6e | 1-8H......._id.V.$9+r.0.....warn |
a80e0 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 d2 02 00 00 04 4d 50 32 | ings.......fingerprints......MP2 |
a8100 | 44 00 c7 02 00 00 02 30 00 0f 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 00 02 31 00 15 | D......0.....2;1-1-2;2-1-1;..1.. |
a8120 | 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 02 32 00 0f 00 00 00 31 | ...2;1-1-1;1-1-2;2-1-2;..2.....1 |
a8140 | 3b 31 2d 32 2d 32 3b 32 2d 33 2d 32 3b 00 02 33 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 | ;1-2-2;2-3-2;..3.!...2;1-1-1;1-2 |
a8160 | 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 34 00 21 00 00 00 32 3b 31 | -2;2-3-1;2-1-2;2-1-9;..4.!...2;1 |
a8180 | 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 35 | -2-1;1-1-2;2-2-1;2-1-2;2-1-8;..5 |
a81a0 | 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 36 00 21 00 00 | .....1;1-1-2;2-1-1;2-1-2;..6.!.. |
a81c0 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 33 2d 32 | .1;1-1-1;1-1-2;1-1-8;2-1-1;2-3-2 |
a81e0 | 3b 00 02 37 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 32 2d 31 | ;..7.!...1;1-1-1;1-1-2;2-2-2;2-1 |
a8200 | 2d 38 3b 32 2d 31 2d 39 3b 00 02 38 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 | -8;2-1-9;..8.!...2;1-1-1;1-1-2;1 |
a8220 | 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 39 00 15 00 00 00 39 3b 31 2d 31 2d 32 | -1-9;2-2-1;2-1-2;..9.....9;1-1-2 |
a8240 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 30 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d | ;2-1-1;2-1-2;..10.!...8;1-1-1;1- |
a8260 | 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 31 00 1b 00 00 00 32 | 1-2;2-2-1;2-1-2;2-1-9;..11.....2 |
a8280 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b 00 02 31 32 00 15 00 | ;1-1-1;1-1-8;1-1-9;2-3-1;..12... |
a82a0 | 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 33 00 27 00 00 00 31 | ..9;1-1-2;2-1-1;2-1-8;..13.'...1 |
a82c0 | 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 | ;1-2-1;1-1-2;2-4-1;2-1-2;2-1-8;2 |
a82e0 | 2d 31 2d 39 3b 00 02 31 34 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d | -1-9;..14.....1;1-2-1;1-1-2;2-4- |
a8300 | 31 3b 32 2d 32 2d 32 3b 00 02 31 35 00 15 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 32 2d 31 3b 32 | 1;2-2-2;..15.....1;1-4-1;2-2-1;2 |
a8320 | 2d 32 2d 32 3b 00 02 31 36 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 37 | -2-2;..16.....1;1-1-1;2-3-1;..17 |
a8340 | 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 38 00 15 00 00 00 32 3b 31 2d | .....1;1-1-1;2-3-1;..18.....2;1- |
a8360 | 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 00 02 31 39 00 15 00 00 00 32 3b 31 2d 32 2d 31 | 1-1;1-1-2;2-4-1;..19.....2;1-2-1 |
a8380 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 00 02 32 30 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d | ;1-1-2;2-1-1;..20.....1;1-1-2;2- |
a83a0 | 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 31 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 | 1-1;2-1-2;..21.....1;1-1-2;2-1-1 |
a83c0 | 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 2c 00 00 00 43 3d 43 43 43 31 3d 43 28 43 | ;2-1-2;....smiles.,...C=CCC1=C(C |
a83e0 | 29 43 28 43 43 31 3d 4f 29 4f 43 28 3d 4f 29 43 31 43 28 43 31 28 43 29 43 29 43 3d 43 28 43 29 | )C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C) |
a8400 | 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 d7 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | C..updated_at...}FP....created_a |
a8420 | 74 00 4e 7f 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t.N.}FP....default_fingerprint_s |
a8440 | 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 70 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 39 48 | ize......inchi.p...InChI=1S/C19H |
a8460 | 32 36 4f 33 2f 63 31 2d 37 2d 38 2d 31 33 2d 31 32 28 34 29 31 36 28 31 30 2d 31 35 28 31 33 29 | 26O3/c1-7-8-13-12(4)16(10-15(13) |
a8480 | 32 30 29 32 32 2d 31 38 28 32 31 29 31 37 2d 31 34 28 39 2d 31 31 28 32 29 33 29 31 39 28 31 37 | 20)22-18(21)17-14(9-11(2)3)19(17 |
a84a0 | 2c 35 29 36 2f 68 37 2c 39 2c 31 34 2c 31 36 2d 31 37 48 2c 31 2c 38 2c 31 30 48 32 2c 32 2d 36 | ,5)6/h7,9,14,16-17H,1,8,10H2,2-6 |
a84c0 | 48 33 00 00 01 02 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 e3 04 77 61 72 6e 69 6e | H3......._id.V.$9+r.0.....warnin |
a84e0 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 2f 01 00 00 04 4d 50 32 44 00 | gs.......fingerprints./....MP2D. |
a8500 | 24 01 00 00 02 30 00 0f 00 00 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 | $....0.....7;1-1-4;2-1-3;..1.... |
a8520 | 00 34 3b 31 2d 31 2d 33 3b 31 2d 31 2d 37 3b 32 2d 32 2d 33 3b 00 02 32 00 22 00 00 00 33 3b 31 | .4;1-1-3;1-1-7;2-2-3;..2."...3;1 |
a8540 | 2d 32 2d 33 3b 31 2d 31 2d 34 3b 32 2d 32 2d 33 3b 32 2d 31 2d 37 3b 32 2d 32 2d 31 35 3b 00 02 | -2-3;1-1-4;2-2-3;2-1-7;2-2-15;.. |
a8560 | 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 34 | 3.....3;1-2-3;1-1-15;2-2-3;2-1-4 |
a8580 | 3b 00 02 34 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 35 00 16 00 00 00 | ;..4.....15;1-1-3;2-2-3;..5..... |
a85a0 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 36 00 0f 00 00 00 33 3b 31 | 3;1-2-3;2-2-3;2-1-15;..6.....3;1 |
a85c0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -2-3;2-2-3;..7.....3;1-2-3;2-2-3 |
a85e0 | 3b 32 2d 31 2d 31 35 3b 00 02 38 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 | ;2-1-15;..8.....3;1-2-3;1-1-15;2 |
a8600 | 2d 32 2d 33 3b 32 2d 31 2d 34 3b 00 02 39 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d | -2-3;2-1-4;..9.....15;1-1-3;2-2- |
a8620 | 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 12 00 00 00 4e 23 43 63 31 63 28 43 6c 29 63 63 63 63 31 | 3;....smiles.....N#Cc1c(Cl)cccc1 |
a8640 | 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 10 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | Cl..updated_at...}FP....created_ |
a8660 | 61 74 00 54 7f 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at.T.}FP....default_fingerprint_ |
a8680 | 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 30 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 | size......inchi.0...InChI=1S/C7H |
a86a0 | 33 43 6c 32 4e 2f 63 38 2d 36 2d 32 2d 31 2d 33 2d 37 28 39 29 35 28 36 29 34 2d 31 30 2f 68 31 | 3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1 |
a86c0 | 2d 33 48 00 00 db 02 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 e4 04 77 61 72 6e 69 | -3H......._id.V.$9+r.0.....warni |
a86e0 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 db 01 00 00 04 4d 50 32 44 | ngs.......fingerprints......MP2D |
a8700 | 00 d0 01 00 00 02 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 0f 00 | ......0.....3;1-2-3;2-2-3;..1... |
a8720 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b | ..3;1-2-3;2-2-3;..2.....3;1-2-3; |
a8740 | 32 2d 33 2d 33 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 34 00 | 2-3-3;..3.....3;1-3-3;2-4-3;..4. |
a8760 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d | ....3;1-2-3;2-3-3;..5.....3;1-2- |
a8780 | 33 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d | 3;2-2-3;..6.....3;1-3-3;2-4-3;2- |
a87a0 | 31 2d 38 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 38 00 0f 00 | 1-8;..7.....3;1-2-3;2-3-3;..8... |
a87c0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b | ..3;1-2-3;2-2-3;..9.....3;1-2-3; |
a87e0 | 32 2d 32 2d 33 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | 2-2-3;..10.....3;1-2-3;2-2-3;2-1 |
a8800 | 2d 38 3b 00 02 31 31 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b | -8;..11.....3;1-2-3;1-1-8;2-1-1; |
a8820 | 32 2d 33 2d 33 3b 00 02 31 32 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 | 2-3-3;..12.....8;1-1-1;1-1-3;2-1 |
a8840 | 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 33 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b | -1;2-2-3;..13.!...1;1-1-1;1-1-8; |
a8860 | 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 34 00 1b 00 00 00 31 3b 31 2d 32 | 2-1-1;2-1-3;2-1-8;..14.....1;1-2 |
a8880 | 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 00 02 31 35 00 1b 00 00 00 31 3b | -1;1-1-8;2-1-1;2-2-8;..15.....1; |
a88a0 | 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 36 00 0f 00 00 | 1-1-1;1-1-8;2-2-1;2-1-8;..16.... |
a88c0 | 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 1a 00 00 00 63 31 | .8;1-2-1;2-3-1;....smiles.....c1 |
a88e0 | 63 63 63 28 63 63 31 29 63 31 63 63 63 63 63 31 4f 43 43 31 43 4f 31 00 09 75 70 64 61 74 65 64 | ccc(cc1)c1ccccc1OCC1CO1..updated |
a8900 | 5f 61 74 00 13 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 5b 7f 7d 46 50 01 00 00 | _at...}FP....created_at.[.}FP... |
a8920 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 | .default_fingerprint_size......i |
a8940 | 6e 63 68 69 00 56 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 31 34 4f 32 2f 63 31 2d 32 2d | nchi.V...InChI=1S/C15H14O2/c1-2- |
a8960 | 36 2d 31 32 28 37 2d 33 2d 31 29 31 34 2d 38 2d 34 2d 35 2d 39 2d 31 35 28 31 34 29 31 37 2d 31 | 6-12(7-3-1)14-8-4-5-9-15(14)17-1 |
a8980 | 31 2d 31 33 2d 31 30 2d 31 36 2d 31 33 2f 68 31 2d 39 2c 31 33 48 2c 31 30 2d 31 31 48 32 00 00 | 1-13-10-16-13/h1-9,13H,10-11H2.. |
a89a0 | f1 03 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 e5 04 77 61 72 6e 69 6e 67 73 00 05 | ....._id.V.$9+r.0.....warnings.. |
a89c0 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 d7 02 00 00 04 4d 50 32 44 00 cc 02 00 00 | .....fingerprints......MP2D..... |
a89e0 | 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 39 3b 32 2d 31 2d 36 3b 00 02 31 00 15 00 00 00 39 3b 31 | .0.....1;1-1-9;2-1-6;..1.....9;1 |
a8a00 | 2d 31 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 00 02 32 00 21 00 00 00 36 3b 31 2d 31 2d 32 | -1-1;1-1-6;2-1-2;..2.!...6;1-1-2 |
a8a20 | 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 33 00 27 00 00 | ;1-1-9;2-1-1;2-1-2;2-1-3;..3.'.. |
a8a40 | 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 | .2;1-1-2;1-1-3;1-1-6;2-2-3;2-1-8 |
a8a60 | 3b 32 2d 32 2d 39 3b 00 02 34 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 | ;2-2-9;..4.'...3;1-1-2;1-2-3;2-1 |
a8a80 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 35 00 15 00 00 00 33 3b 31 | -1;2-1-2;2-2-3;2-1-6;..5.....3;1 |
a8aa0 | 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | -2-3;2-1-2;2-2-3;..6.....3;1-2-3 |
a8ac0 | 3b 32 2d 32 2d 33 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 | ;2-2-3;..7.....3;1-2-3;2-2-3;..8 |
a8ae0 | 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 21 00 00 | .....3;1-2-3;2-1-1;2-2-3;..9.!.. |
a8b00 | 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 | .3;1-1-1;1-2-3;2-1-2;2-2-3;2-1-8 |
a8b20 | 3b 00 02 31 30 00 15 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 | ;..10.....1;1-1-3;1-1-8;2-3-3;.. |
a8b40 | 31 31 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 32 00 | 11.....8;1-1-1;1-1-3;2-3-3;..12. |
a8b60 | 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 | ....3;1-2-3;1-1-8;2-2-1;2-2-3;.. |
a8b80 | 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 34 00 | 13.....3;1-2-3;2-2-3;2-1-8;..14. |
a8ba0 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 | ....3;1-2-3;2-2-3;..15.....3;1-2 |
a8bc0 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b | -3;2-2-3;..16.....3;1-2-3;2-1-1; |
a8be0 | 32 2d 32 2d 33 3b 00 02 31 37 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 | 2-2-3;..17.....3;1-1-1;1-2-3;2-2 |
a8c00 | 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 38 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b | -3;2-1-8;..18.....1;1-1-3;2-2-3; |
a8c20 | 00 02 31 39 00 27 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 | ..19.'...2;1-1-2;1-1-8;1-1-9;2-1 |
a8c40 | 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 00 02 32 30 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b | -1;2-1-3;2-1-6;..20.....9;1-1-2; |
a8c60 | 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 31 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-1-2;2-1-8;..21.....8;1-1-1;1-1 |
a8c80 | 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 32 32 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b | -2;2-1-2;2-1-9;..22.....1;1-1-8; |
a8ca0 | 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 22 00 00 00 43 4f 4e 3d 43 28 63 31 63 63 63 | 2-1-2;....smiles."...CON=C(c1ccc |
a8cc0 | 63 63 31 43 4f 63 31 63 63 63 63 63 31 43 29 43 28 3d 4f 29 4f 43 00 09 75 70 64 61 74 65 64 5f | cc1COc1ccccc1C)C(=O)OC..updated_ |
a8ce0 | 61 74 00 9a 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 63 7f 7d 46 50 01 00 00 10 | at...}FP....created_at.c.}FP.... |
a8d00 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e | default_fingerprint_size......in |
a8d20 | 63 68 69 00 68 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 38 48 31 39 4e 4f 34 2f 63 31 2d 31 33 | chi.h...InChI=1S/C18H19NO4/c1-13 |
a8d40 | 2d 38 2d 34 2d 37 2d 31 31 2d 31 36 28 31 33 29 32 33 2d 31 32 2d 31 34 2d 39 2d 35 2d 36 2d 31 | -8-4-7-11-16(13)23-12-14-9-5-6-1 |
a8d60 | 30 2d 31 35 28 31 34 29 31 37 28 31 39 2d 32 32 2d 33 29 31 38 28 32 30 29 32 31 2d 32 2f 68 34 | 0-15(14)17(19-22-3)18(20)21-2/h4 |
a8d80 | 2d 31 31 48 2c 31 32 48 32 2c 31 2d 33 48 33 00 00 4e 04 00 00 07 5f 69 64 00 56 16 24 39 2b 72 | -11H,12H2,1-3H3..N...._id.V.$9+r |
a8da0 | ed 30 fb 00 00 e6 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .0.....warnings.......fingerprin |
a8dc0 | 74 73 00 1d 03 00 00 04 4d 50 32 44 00 12 03 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b | ts......MP2D......0.....1;1-1-1; |
a8de0 | 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 | 2-1-1;2-1-19;..1.....1;1-2-1;1-1 |
a8e00 | 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 | -19;2-1-1;2-1-3;..2.....19;1-2-1 |
a8e20 | 3b 31 2d 31 2d 33 3b 32 2d 34 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 23 00 00 00 33 3b 31 2d 32 | ;1-1-3;2-4-1;2-2-3;..3.#...3;1-2 |
a8e40 | 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 39 3b 00 02 34 | -3;1-1-19;2-2-1;2-2-3;2-2-19;..4 |
a8e60 | 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b | .#...3;1-2-3;1-1-19;2-2-3;2-2-9; |
a8e80 | 32 2d 31 2d 31 39 3b 00 02 35 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | 2-1-19;..5.....3;1-2-3;2-2-3;2-1 |
a8ea0 | 2d 31 39 3b 32 2d 31 2d 33 30 3b 00 02 36 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 33 | -19;2-1-30;..6."...3;1-2-3;1-1-3 |
a8ec0 | 30 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 32 2d 32 2d 39 3b 00 02 37 00 1d 00 00 00 33 3b 31 2d | 0;2-2-3;2-1-5;2-2-9;..7.....3;1- |
a8ee0 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 32 2d 31 2d 33 30 3b 00 02 38 00 23 00 00 00 | 2-3;2-2-3;2-1-19;2-1-30;..8.#... |
a8f00 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 | 3;1-2-3;1-1-19;2-2-3;2-2-9;2-1-1 |
a8f20 | 39 3b 00 02 39 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 | 9;..9.....19;1-1-3;1-2-9;2-2-3;. |
a8f40 | 02 31 30 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 | .10.....9;1-1-19;2-1-3;2-1-9;..1 |
a8f60 | 31 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 32 00 | 1.....9;1-1-19;2-1-3;2-1-9;..12. |
a8f80 | 1c 00 00 00 33 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 35 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 | ....30;1-1-3;1-1-5;1-2-9;2-2-3;. |
a8fa0 | 02 31 33 00 1c 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 35 3b 32 2d 31 | .13.....9;1-1-30;2-1-3;2-1-5;2-1 |
a8fc0 | 2d 39 3b 00 02 31 34 00 1c 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 35 | -9;..14.....9;1-1-30;2-1-3;2-1-5 |
a8fe0 | 3b 32 2d 31 2d 39 3b 00 02 31 35 00 16 00 00 00 35 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 | ;2-1-9;..15.....5;1-1-30;2-1-3;2 |
a9000 | 2d 32 2d 39 3b 00 02 31 36 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 | -2-9;..16.....19;1-1-3;1-2-9;2-2 |
a9020 | 2d 33 3b 00 02 31 37 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 | -3;..17.....9;1-1-19;2-1-3;2-1-9 |
a9040 | 3b 00 02 31 38 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 | ;..18.....9;1-1-19;2-1-3;2-1-9;. |
a9060 | 02 31 39 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 | .19.....1;1-2-1;1-1-19;2-1-1;2-1 |
a9080 | 2d 33 3b 00 02 32 30 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 | -3;..20.....1;1-1-1;2-1-1;2-1-19 |
a90a0 | 3b 00 02 32 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 | ;..21.....1;1-1-1;2-1-1;2-1-19;. |
a90c0 | 02 32 32 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 00 00 | .22.....1;1-1-1;2-1-1;2-1-19;... |
a90e0 | 02 73 6d 69 6c 65 73 00 32 00 00 00 43 43 28 4e 28 63 31 63 28 63 63 28 63 63 31 4e 28 3d 4f 29 | .smiles.2...CC(N(c1c(cc(cc1N(=O) |
a9100 | 3d 4f 29 53 28 3d 4f 29 28 3d 4f 29 4e 29 4e 28 3d 4f 29 3d 4f 29 43 28 43 29 43 29 43 00 09 75 | =O)S(=O)(=O)N)N(=O)=O)C(C)C)C..u |
a9120 | 70 64 61 74 65 64 5f 61 74 00 64 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 6b 7f | pdated_at.d.}FP....created_at.k. |
a9140 | 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | }FP....default_fingerprint_size. |
a9160 | 00 00 00 00 02 69 6e 63 68 69 00 6f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 38 4e 34 | .....inchi.o...InChI=1S/C12H18N4 |
a9180 | 4f 36 53 2f 63 31 2d 37 28 32 29 31 34 28 38 28 33 29 34 29 31 32 2d 31 30 28 31 35 28 31 37 29 | O6S/c1-7(2)14(8(3)4)12-10(15(17) |
a91a0 | 31 38 29 35 2d 39 28 32 33 28 31 33 2c 32 31 29 32 32 29 36 2d 31 31 28 31 32 29 31 36 28 31 39 | 18)5-9(23(13,21)22)6-11(12)16(19 |
a91c0 | 29 32 30 2f 68 35 2d 38 48 2c 31 2d 34 48 33 2c 28 48 32 2c 31 33 2c 32 31 2c 32 32 29 00 00 da | )20/h5-8H,1-4H3,(H2,13,21,22)... |
a91e0 | 02 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 e7 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V.$9+r.0.....warnings... |
a9200 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 df 01 00 00 04 4d 50 32 44 00 d4 01 00 00 02 | ....fingerprints......MP2D...... |
a9220 | 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 1d 00 00 00 33 3b 31 | 0.....15;1-1-3;2-2-3;..1.....3;1 |
a9240 | 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 00 1d 00 00 | -2-3;1-1-15;2-1-3;2-1-11;..2.... |
a9260 | 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 33 | .3;1-1-3;1-1-11;2-2-3;2-1-15;..3 |
a9280 | 00 10 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d | .....11;1-2-3;2-3-3;..4.....3;1- |
a92a0 | 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 32 3b 32 2d 34 2d 33 3b 00 02 35 00 16 00 00 00 33 | 2-3;1-1-11;2-1-2;2-4-3;..5.....3 |
a92c0 | 3b 31 2d 33 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 36 00 16 00 00 00 33 3b 31 2d | ;1-3-3;2-3-3;2-1-11;..6.....3;1- |
a92e0 | 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-3-3;2-1-15;..7.....3;1-2-3 |
a9300 | 3b 32 2d 33 2d 33 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | ;2-3-3;..8.....3;1-2-3;2-2-3;2-1 |
a9320 | 2d 31 35 3b 00 02 39 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 32 | -15;..9.....3;1-2-3;1-1-15;2-1-2 |
a9340 | 3b 32 2d 32 2d 33 3b 00 02 31 30 00 2a 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-3;..10.*...3;1-1-2;1-2-3;2- |
a9360 | 32 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 35 3b 32 2d 32 2d 33 32 3b 00 02 31 31 00 16 00 | 2-3;2-1-11;2-1-15;2-2-32;..11... |
a9380 | 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 32 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 31 32 00 17 00 00 00 | ..2;1-1-3;1-2-32;2-2-3;..12..... |
a93a0 | 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 33 00 17 00 00 00 33 | 32;1-1-2;2-1-3;2-1-32;..13.....3 |
a93c0 | 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 34 00 10 00 00 00 31 35 | 2;1-1-2;2-1-3;2-1-32;..14.....15 |
a93e0 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1d 00 00 00 43 6c 63 31 | ;1-1-3;2-2-3;....smiles.....Clc1 |
a9400 | 63 6e 63 32 63 28 63 31 29 63 63 63 28 63 32 43 28 3d 4f 29 4f 29 43 6c 00 09 75 70 64 61 74 65 | cnc2c(c1)ccc(c2C(=O)O)Cl..update |
a9420 | 64 5f 61 74 00 1b 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 72 7f 7d 46 50 01 00 | d_at...}FP....created_at.r.}FP.. |
a9440 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 | ..default_fingerprint_size...... |
a9460 | 69 6e 63 68 69 00 4e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 35 43 6c 32 4e 4f 32 2f 63 | inchi.N...InChI=1S/C10H5Cl2NO2/c |
a9480 | 31 31 2d 36 2d 33 2d 35 2d 31 2d 32 2d 37 28 31 32 29 38 28 31 30 28 31 34 29 31 35 29 39 28 35 | 11-6-3-5-1-2-7(12)8(10(14)15)9(5 |
a94a0 | 29 31 33 2d 34 2d 36 2f 68 31 2d 34 48 2c 28 48 2c 31 34 2c 31 35 29 00 00 02 04 00 00 07 5f 69 | )13-4-6/h1-4H,(H,14,15)......._i |
a94c0 | 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 e8 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V.$9+r.0.....warnings.......fi |
a94e0 | 6e 67 65 72 70 72 69 6e 74 73 00 d7 02 00 00 04 4d 50 32 44 00 cc 02 00 00 02 30 00 16 00 00 00 | ngerprints......MP2D......0..... |
a9500 | 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 00 16 00 00 00 31 3b 31 | 1;1-1-1;2-1-1;2-1-28;..1.....1;1 |
a9520 | 2d 32 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 00 02 32 00 23 00 00 00 32 38 3b 31 2d 31 | -2-1;1-1-28;2-1-2;..2.#...28;1-1 |
a9540 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 33 00 | -1;1-1-2;2-2-1;2-1-9;2-1-28;..3. |
a9560 | 1c 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 32 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 | ....2;1-1-9;1-2-28;2-2-1;2-1-2;. |
a9580 | 02 34 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 35 00 23 00 00 00 32 38 | .4.....9;1-1-2;2-2-28;..5.#...28 |
a95a0 | 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 31 2d 32 3b 32 2d 32 2d 39 3b 32 2d 32 2d 32 38 3b | ;1-1-1;1-2-2;2-1-2;2-2-9;2-2-28; |
a95c0 | 00 02 36 00 23 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 32 3b 32 2d 31 | ..6.#...1;1-1-2;1-1-28;2-2-2;2-1 |
a95e0 | 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 37 00 29 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b | -9;2-1-28;..7.)...2;1-1-1;1-1-9; |
a9600 | 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 38 00 16 00 | 1-1-28;2-1-2;2-1-3;2-1-28;..8... |
a9620 | 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 39 00 29 00 00 00 32 | ..9;1-1-2;2-1-1;2-1-28;..9.)...2 |
a9640 | 38 3b 31 2d 32 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b | 8;1-2-2;1-1-3;2-1-1;2-2-3;2-2-9; |
a9660 | 32 2d 31 2d 32 38 3b 00 02 31 30 00 22 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 32 2d 32 38 3b 32 | 2-1-28;..10."...2;1-1-9;1-2-28;2 |
a9680 | 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 31 00 10 00 00 00 39 3b 31 2d 31 2d | -1-1;2-2-2;2-1-3;..11.....9;1-1- |
a96a0 | 32 3b 32 2d 32 2d 32 38 3b 00 02 31 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 | 2;2-2-28;..12.....3;1-2-3;1-1-28 |
a96c0 | 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 33 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-2;2-2-3;..13.....3;1-2-3;2- |
a96e0 | 32 2d 33 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 32 | 2-3;2-1-15;2-1-28;..14.....3;1-2 |
a9700 | 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 31 35 00 10 00 00 00 31 35 3b 31 2d 31 2d | -3;1-1-15;2-2-3;..15.....15;1-1- |
a9720 | 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 3;2-2-3;..16.....3;1-2-3;2-2-3;2 |
a9740 | 2d 32 2d 31 35 3b 00 02 31 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d | -2-15;..17.....3;1-2-3;1-1-15;2- |
a9760 | 32 2d 33 3b 00 02 31 38 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | 2-3;..18.....3;1-2-3;2-2-3;2-1-1 |
a9780 | 35 3b 32 2d 31 2d 32 38 3b 00 02 31 39 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | 5;2-1-28;..19.....15;1-1-3;2-2-3 |
a97a0 | 3b 00 02 32 30 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 | ;..20.....1;1-1-1;2-1-1;2-1-28;. |
a97c0 | 00 00 02 73 6d 69 6c 65 73 00 2b 00 00 00 43 43 28 4e 43 28 3d 4f 29 4e 31 43 43 28 3d 4f 29 4e | ...smiles.+...CC(NC(=O)N1CC(=O)N |
a97e0 | 28 43 31 3d 4f 29 63 31 63 63 28 43 6c 29 63 63 28 63 31 29 43 6c 29 43 00 09 75 70 64 61 74 65 | (C1=O)c1cc(Cl)cc(c1)Cl)C..update |
a9800 | 64 5f 61 74 00 1e 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 7a 7f 7d 46 50 01 00 | d_at...}FP....created_at.z.}FP.. |
a9820 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 | ..default_fingerprint_size...... |
a9840 | 69 6e 63 68 69 00 70 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 33 48 31 33 43 6c 32 4e 33 4f 33 | inchi.p...InChI=1S/C13H13Cl2N3O3 |
a9860 | 2f 63 31 2d 37 28 32 29 31 36 2d 31 32 28 32 30 29 31 37 2d 36 2d 31 31 28 31 39 29 31 38 28 31 | /c1-7(2)16-12(20)17-6-11(19)18(1 |
a9880 | 33 28 31 37 29 32 31 29 31 30 2d 34 2d 38 28 31 34 29 33 2d 39 28 31 35 29 35 2d 31 30 2f 68 33 | 3(17)21)10-4-8(14)3-9(15)5-10/h3 |
a98a0 | 2d 35 2c 37 48 2c 36 48 32 2c 31 2d 32 48 33 2c 28 48 2c 31 36 2c 32 30 29 00 00 4a 04 00 00 07 | -5,7H,6H2,1-2H3,(H,16,20)..J.... |
a98c0 | 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 e9 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V.$9+r.0.....warnings....... |
a98e0 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 1b 03 00 00 04 4d 50 32 44 00 10 03 00 00 02 30 00 0f 00 | fingerprints......MP2D......0... |
a9900 | 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 10 00 00 00 31 3b 31 2d 32 2d 31 3b | ..1;1-1-1;2-1-1;..1.....1;1-2-1; |
a9920 | 32 2d 31 2d 31 39 3b 00 02 32 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d | 2-1-19;..2.....1;1-1-1;1-1-19;2- |
a9940 | 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 | 2-1;2-1-3;..3.....19;1-2-1;1-1-3 |
a9960 | 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | ;2-2-1;2-2-3;..4.#...3;1-2-3;1-1 |
a9980 | 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 39 3b 00 02 35 00 2a 00 00 00 33 | -19;2-2-1;2-2-3;2-2-19;..5.*...3 |
a99a0 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 | ;1-2-3;1-1-19;2-2-3;2-1-9;2-1-19 |
a99c0 | 3b 32 2d 31 2d 33 32 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | ;2-1-32;..6.....3;1-2-3;2-1-1;2- |
a99e0 | 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 | 2-3;2-1-19;..7.....3;1-1-1;1-2-3 |
a9a00 | 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 38 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-3;2-3-16;..8.....3;1-2-3;2- |
a9a20 | 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 39 00 2a 00 00 00 33 3b 31 2d 32 2d 33 | 1-1;2-2-3;2-1-19;..9.*...3;1-2-3 |
a9a40 | 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 32 2d 31 2d 33 | ;1-1-19;2-2-3;2-1-9;2-1-19;2-1-3 |
a9a60 | 32 3b 00 02 31 30 00 1d 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 33 32 | 2;..10.....19;1-1-3;1-1-9;1-1-32 |
a9a80 | 3b 32 2d 32 2d 33 3b 00 02 31 31 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 | ;2-2-3;..11.....9;1-1-19;2-1-3;2 |
a9aa0 | 2d 31 2d 33 32 3b 00 02 31 32 00 17 00 00 00 33 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 | -1-32;..12.....32;1-1-19;2-1-3;2 |
a9ac0 | 2d 31 2d 39 3b 00 02 31 33 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 3b 32 2d 32 | -1-9;..13.....1;1-1-3;1-3-16;2-2 |
a9ae0 | 2d 33 3b 00 02 31 34 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 | -3;..14.....16;1-1-1;2-1-3;2-2-1 |
a9b00 | 36 3b 00 02 31 35 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 | 6;..15.....16;1-1-1;2-1-3;2-2-16 |
a9b20 | 3b 00 02 31 36 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b | ;..16.....16;1-1-1;2-1-3;2-2-16; |
a9b40 | 00 02 31 37 00 1d 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 33 32 3b 32 | ..17.....19;1-1-3;1-1-9;1-1-32;2 |
a9b60 | 2d 32 2d 33 3b 00 02 31 38 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 | -2-3;..18.....9;1-1-19;2-1-3;2-1 |
a9b80 | 2d 33 32 3b 00 02 31 39 00 17 00 00 00 33 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 | -32;..19.....32;1-1-19;2-1-3;2-1 |
a9ba0 | 2d 39 3b 00 02 32 30 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 | -9;..20.#...1;1-1-1;1-1-19;2-1-1 |
a9bc0 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 32 31 00 17 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | ;2-1-3;2-1-15;..21.....1;1-1-1;1 |
a9be0 | 2d 31 2d 31 35 3b 32 2d 31 2d 31 39 3b 00 02 32 32 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 | -1-15;2-1-19;..22.....15;1-1-1;2 |
a9c00 | 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 37 00 00 00 43 43 43 4e 28 63 31 63 28 63 63 28 | -1-1;....smiles.7...CCCN(c1c(cc( |
a9c20 | 63 63 31 5b 4e 2b 5d 28 3d 4f 29 5b 4f 2d 5d 29 43 28 46 29 28 46 29 46 29 5b 4e 2b 5d 28 3d 4f | cc1[N+](=O)[O-])C(F)(F)F)[N+](=O |
a9c40 | 29 5b 4f 2d 5d 29 43 43 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 21 8a 7d 46 50 01 00 00 09 | )[O-])CCCl..updated_at.!.}FP.... |
a9c60 | 63 72 65 61 74 65 64 5f 61 74 00 82 7f 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at...}FP....default_fing |
a9c80 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 68 00 00 00 49 6e 43 68 | erprint_size......inchi.h...InCh |
a9ca0 | 49 3d 31 53 2f 43 31 32 48 31 33 43 6c 46 33 4e 33 4f 34 2f 63 31 2d 32 2d 34 2d 31 37 28 35 2d | I=1S/C12H13ClF3N3O4/c1-2-4-17(5- |
a9cc0 | 33 2d 31 33 29 31 31 2d 39 28 31 38 28 32 30 29 32 31 29 36 2d 38 28 31 32 28 31 34 2c 31 35 29 | 3-13)11-9(18(20)21)6-8(12(14,15) |
a9ce0 | 31 36 29 37 2d 31 30 28 31 31 29 31 39 28 32 32 29 32 33 2f 68 36 2d 37 48 2c 32 2d 35 48 32 2c | 16)7-10(11)19(22)23/h6-7H,2-5H2, |
a9d00 | 31 48 33 00 00 0a 03 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 ea 04 77 61 72 6e 69 | 1H3......._id.V.$9+r.0.....warni |
a9d20 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 07 02 00 00 04 4d 50 32 44 | ngs.......fingerprints......MP2D |
a9d40 | 00 fc 01 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 31 00 1c | ......0.....9;1-1-2;2-2-28;..1.. |
a9d60 | 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 32 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 | ...2;1-1-9;1-2-28;2-2-1;2-1-3;.. |
a9d80 | 32 00 1d 00 00 00 32 38 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 | 2.....28;1-2-1;1-1-2;2-1-9;2-1-2 |
a9da0 | 38 3b 00 02 33 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 | 8;..3.....1;1-1-28;2-1-1;2-1-2;. |
a9dc0 | 02 34 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 35 00 | .4.....1;1-1-28;2-1-1;2-1-2;..5. |
a9de0 | 23 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 | #...28;1-1-2;1-1-3;2-2-3;2-1-9;2 |
a9e00 | 2d 31 2d 32 38 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 31 | -1-28;..6.....3;1-2-3;1-1-28;2-1 |
a9e20 | 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | -2;2-2-3;..7.....3;1-2-3;2-2-3;2 |
a9e40 | 2d 31 2d 32 38 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 | -1-28;..8.....3;1-2-3;2-2-3;..9. |
a9e60 | 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 1c 00 00 | ....3;1-2-3;2-1-1;2-2-3;..10.... |
a9e80 | 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 31 31 | .3;1-1-1;1-2-3;2-2-3;2-3-16;..11 |
a9ea0 | 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b | .....3;1-2-3;2-1-1;2-2-3;2-1-28; |
a9ec0 | 00 02 31 32 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 | ..12.....1;1-1-3;1-3-16;2-2-3;.. |
a9ee0 | 31 33 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 31 | 13.....16;1-1-1;2-1-3;2-2-16;..1 |
a9f00 | 34 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 31 35 | 4.....16;1-1-1;2-1-3;2-2-16;..15 |
a9f20 | 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 00 00 02 73 | .....16;1-1-1;2-1-3;2-2-16;....s |
a9f40 | 6d 69 6c 65 73 00 1e 00 00 00 4f 3d 43 28 4e 28 43 29 43 29 4e 63 31 63 63 63 63 28 63 31 29 43 | miles.....O=C(N(C)C)Nc1cccc(c1)C |
a9f60 | 28 46 29 28 46 29 46 00 09 75 70 64 61 74 65 64 5f 61 74 00 23 8a 7d 46 50 01 00 00 09 63 72 65 | (F)(F)F..updated_at.#.}FP....cre |
a9f80 | 61 74 65 64 5f 61 74 00 8c 7f 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at...}FP....default_fingerp |
a9fa0 | 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 55 00 00 00 49 6e 43 68 49 3d 31 | rint_size......inchi.U...InChI=1 |
a9fc0 | 53 2f 43 31 30 48 31 31 46 33 4e 32 4f 2f 63 31 2d 31 35 28 32 29 39 28 31 36 29 31 34 2d 38 2d | S/C10H11F3N2O/c1-15(2)9(16)14-8- |
a9fe0 | 35 2d 33 2d 34 2d 37 28 36 2d 38 29 31 30 28 31 31 2c 31 32 29 31 33 2f 68 33 2d 36 48 2c 31 2d | 5-3-4-7(6-8)10(11,12)13/h3-6H,1- |
aa000 | 32 48 33 2c 28 48 2c 31 34 2c 31 36 29 00 00 57 02 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 | 2H3,(H,14,16)..W...._id.V.$9+r.0 |
aa020 | fb 00 00 eb 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 | .....warnings.......fingerprints |
aa040 | 00 7c 01 00 00 04 4d 50 32 44 00 71 01 00 00 02 30 00 17 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 | .|....MP2D.q....0.....15;1-1-3;2 |
aa060 | 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d | -1-3;2-1-11;..1.....3;1-1-3;1-1- |
aa080 | 31 31 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 32 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b | 11;1-1-15;2-2-3;..2.....3;1-2-3; |
aa0a0 | 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 35 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d | 2-1-3;2-1-11;2-1-15;..3.....3;1- |
aa0c0 | 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b | 2-3;2-2-3;..4.....3;1-2-3;2-1-1; |
aa0e0 | 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 35 00 23 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-1-3;2-1-11;..5.#...3;1-1-1;1-1 |
aa100 | 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 35 3b 00 02 36 00 1d 00 00 00 31 | -3;1-1-11;2-2-3;2-3-15;..6.....1 |
aa120 | 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 37 00 1d | 1;1-2-3;2-1-1;2-2-3;2-1-15;..7.. |
aa140 | 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 35 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 | ...1;1-1-3;1-3-15;2-1-3;2-1-11;. |
aa160 | 02 38 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 39 | .8.....15;1-1-1;2-1-3;2-2-15;..9 |
aa180 | 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 31 30 00 | .....15;1-1-1;2-1-3;2-2-15;..10. |
aa1a0 | 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 35 3b 00 00 00 02 73 6d | ....15;1-1-1;2-1-3;2-2-15;....sm |
aa1c0 | 69 6c 65 73 00 18 00 00 00 43 6c 63 31 63 63 63 63 28 6e 31 29 43 28 43 6c 29 28 43 6c 29 43 6c | iles.....Clc1cccc(n1)C(Cl)(Cl)Cl |
aa1e0 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 26 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.&.}FP....created_at |
aa200 | 00 93 7f 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | ...}FP....default_fingerprint_si |
aa220 | 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 33 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 33 43 | ze......inchi.3...InChI=1S/C6H3C |
aa240 | 6c 34 4e 2f 63 37 2d 35 2d 33 2d 31 2d 32 2d 34 28 31 31 2d 35 29 36 28 38 2c 39 29 31 30 2f 68 | l4N/c7-5-3-1-2-4(11-5)6(8,9)10/h |
aa260 | 31 2d 33 48 00 00 3d 04 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 ec 04 77 61 72 6e | 1-3H..=...._id.V.$9+r.0.....warn |
aa280 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 12 03 00 00 04 4d 50 32 | ings.......fingerprints......MP2 |
aa2a0 | 44 00 07 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 10 | D......0.....1;1-1-1;2-1-1;..1.. |
aa2c0 | 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 32 00 1c 00 00 00 31 3b 31 2d 31 2d | ...1;1-2-1;2-1-28;..2.....1;1-1- |
aa2e0 | 31 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 00 23 00 00 00 32 38 3b | 1;1-1-28;2-2-1;2-1-2;..3.#...28; |
aa300 | 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 | 1-2-1;1-1-2;2-2-1;2-1-9;2-1-11;. |
aa320 | 02 34 00 23 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 32 38 3b 32 2d 32 | .4.#...2;1-1-9;1-1-11;1-1-28;2-2 |
aa340 | 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 17 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 31 3b | -1;2-2-3;..5.....9;1-1-2;2-1-11; |
aa360 | 32 2d 31 2d 32 38 3b 00 02 36 00 2a 00 00 00 31 31 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d | 2-1-28;..6.*...11;1-1-2;1-2-3;2- |
aa380 | 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 37 00 16 00 00 00 | 1-3;2-1-9;2-1-11;2-1-28;..7..... |
aa3a0 | 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 38 00 17 00 00 00 31 31 3b | 3;1-2-11;2-1-2;2-2-3;..8.....11; |
aa3c0 | 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 39 00 1d 00 00 00 33 3b 31 2d 31 | 1-2-3;2-1-3;2-1-11;..9.....3;1-1 |
aa3e0 | 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 23 00 00 00 | -3;1-1-11;2-1-3;2-1-11;..10.#... |
aa400 | 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 | 3;1-1-3;1-1-11;2-1-2;2-1-3;2-1-1 |
aa420 | 31 3b 00 02 31 31 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b | 1;..11."...1;1-1-1;1-1-28;2-1-1; |
aa440 | 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 32 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-1-2;2-1-8;..12.....1;1-1-1;1-1 |
aa460 | 2d 38 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 1b 00 00 00 38 3b 31 2d 31 2d 31 | -8;2-1-3;2-1-28;..13.....8;1-1-1 |
aa480 | 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 34 00 22 00 00 00 33 3b 31 2d | ;1-1-3;2-1-1;2-2-3;..14."...3;1- |
aa4a0 | 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 31 | 2-3;1-1-8;2-1-1;2-2-3;2-2-15;..1 |
aa4c0 | 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 | 5.....3;1-2-3;1-1-15;2-2-3;2-1-8 |
aa4e0 | 3b 00 02 31 36 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 37 00 16 00 | ;..16.....15;1-1-3;2-2-3;..17... |
aa500 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 31 38 00 16 00 00 00 | ..3;1-2-3;2-2-3;2-2-15;..18..... |
aa520 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 31 39 00 16 00 00 00 33 3b | 3;1-2-3;1-1-15;2-2-3;..19.....3; |
aa540 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 32 30 00 1c 00 00 00 33 3b 31 2d | 1-2-3;2-2-3;2-2-15;..20.....3;1- |
aa560 | 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 31 00 10 00 00 00 | 2-3;1-1-15;2-2-3;2-1-8;..21..... |
aa580 | 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 32 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 | 15;1-1-3;2-2-3;..22.....15;1-1-3 |
aa5a0 | 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 28 00 00 00 43 43 43 4e 28 43 28 3d 4f 29 | ;2-2-3;....smiles.(...CCCN(C(=O) |
aa5c0 | 6e 31 63 6e 63 63 31 29 43 43 4f 63 31 63 28 43 6c 29 63 63 28 63 63 31 43 6c 29 43 6c 00 09 75 | n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl..u |
aa5e0 | 70 64 61 74 65 64 5f 61 74 00 f7 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 9a 7f | pdated_at...}FP....created_at... |
aa600 | 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | }FP....default_fingerprint_size. |
aa620 | 00 00 00 00 02 69 6e 63 68 69 00 73 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 31 36 43 6c | .....inchi.s...InChI=1S/C15H16Cl |
aa640 | 33 4e 33 4f 32 2f 63 31 2d 32 2d 34 2d 32 30 28 31 35 28 32 32 29 32 31 2d 35 2d 33 2d 31 39 2d | 3N3O2/c1-2-4-20(15(22)21-5-3-19- |
aa660 | 31 30 2d 32 31 29 36 2d 37 2d 32 33 2d 31 34 2d 31 32 28 31 37 29 38 2d 31 31 28 31 36 29 39 2d | 10-21)6-7-23-14-12(17)8-11(16)9- |
aa680 | 31 33 28 31 34 29 31 38 2f 68 33 2c 35 2c 38 2d 31 30 48 2c 32 2c 34 2c 36 2d 37 48 32 2c 31 48 | 13(14)18/h3,5,8-10H,2,4,6-7H2,1H |
aa6a0 | 33 00 00 e2 03 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 ed 04 77 61 72 6e 69 6e 67 | 3......._id.V.$9+r.0.....warning |
aa6c0 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c4 02 00 00 04 4d 50 32 44 00 b9 | s.......fingerprints......MP2D.. |
aa6e0 | 02 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 | ....0.....1;1-1-2;2-1-9;2-1-28;. |
aa700 | 02 31 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d | .1.....2;1-1-1;1-1-9;1-1-28;2-1- |
aa720 | 33 3b 00 02 32 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 | 3;..2.....9;1-1-2;2-1-1;2-1-28;. |
aa740 | 02 33 00 22 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | .3."...28;1-1-2;1-1-3;2-1-1;2-2- |
aa760 | 33 3b 32 2d 31 2d 39 3b 00 02 34 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 | 3;2-1-9;..4."...3;1-2-3;1-1-28;2 |
aa780 | 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 35 00 1d 00 00 00 33 3b 31 2d 32 2d 33 | -1-1;2-1-2;2-2-3;..5.....3;1-2-3 |
aa7a0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 32 2d 31 2d 32 38 3b 00 02 36 00 23 00 00 00 33 3b 31 | ;2-2-3;2-1-19;2-1-28;..6.#...3;1 |
aa7c0 | 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 | -2-3;1-1-19;2-1-1;2-2-3;2-1-30;. |
aa7e0 | 02 37 00 23 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 31 3b 32 2d 32 | .7.#...19;1-1-3;1-1-30;2-1-1;2-2 |
aa800 | 2d 33 3b 32 2d 32 2d 39 3b 00 02 38 00 24 00 00 00 33 30 3b 31 2d 31 2d 31 3b 31 2d 32 2d 39 3b | -3;2-2-9;..8.$...30;1-1-1;1-2-9; |
aa820 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 39 00 1d 00 00 00 39 3b 31 2d | 1-1-19;2-1-3;2-3-16;..9.....9;1- |
aa840 | 31 2d 33 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 1d 00 00 | 1-30;2-1-1;2-1-9;2-1-19;..10.... |
aa860 | 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 | .9;1-1-30;2-1-1;2-1-9;2-1-19;..1 |
aa880 | 31 00 1e 00 00 00 31 3b 31 2d 33 2d 31 36 3b 31 2d 31 2d 33 30 3b 32 2d 32 2d 39 3b 32 2d 31 2d | 1.....1;1-3-16;1-1-30;2-2-9;2-1- |
aa8a0 | 31 39 3b 00 02 31 32 00 18 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 36 3b 32 2d 31 2d | 19;..12.....16;1-1-1;2-2-16;2-1- |
aa8c0 | 33 30 3b 00 02 31 33 00 18 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 36 3b 32 2d 31 2d | 30;..13.....16;1-1-1;2-2-16;2-1- |
aa8e0 | 33 30 3b 00 02 31 34 00 18 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 36 3b 32 2d 31 2d | 30;..14.....16;1-1-1;2-2-16;2-1- |
aa900 | 33 30 3b 00 02 31 35 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | 30;..15.....3;1-1-1;1-2-3;2-2-3; |
aa920 | 32 2d 31 2d 31 39 3b 00 02 31 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d | 2-1-19;..16.....3;1-2-3;2-2-1;2- |
aa940 | 32 2d 33 3b 00 02 31 37 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 2-3;..17.....3;1-1-1;1-2-3;2-2-3 |
aa960 | 3b 32 2d 31 2d 32 38 3b 00 02 31 38 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | ;2-1-28;..18.....1;1-1-3;2-2-3;. |
aa980 | 02 31 39 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 | .19.....1;1-1-3;2-2-3;....smiles |
aa9a0 | 00 28 00 00 00 43 43 28 3d 4f 29 4e 63 31 63 63 28 4e 53 28 3d 4f 29 28 3d 4f 29 43 28 46 29 28 | .(...CC(=O)Nc1cc(NS(=O)(=O)C(F)( |
aa9c0 | 46 29 46 29 63 28 63 63 31 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 2b 8a 7d 46 50 01 00 | F)F)c(cc1C)C..updated_at.+.}FP.. |
aa9e0 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 a2 7f 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at...}FP....default_fi |
aaa00 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 66 00 00 00 49 6e | ngerprint_size......inchi.f...In |
aaa20 | 43 68 49 3d 31 53 2f 43 31 31 48 31 33 46 33 4e 32 4f 33 53 2f 63 31 2d 36 2d 34 2d 37 28 32 29 | ChI=1S/C11H13F3N2O3S/c1-6-4-7(2) |
aaa40 | 31 30 28 35 2d 39 28 36 29 31 35 2d 38 28 33 29 31 37 29 31 36 2d 32 30 28 31 38 2c 31 39 29 31 | 10(5-9(6)15-8(3)17)16-20(18,19)1 |
aaa60 | 31 28 31 32 2c 31 33 29 31 34 2f 68 34 2d 35 2c 31 36 48 2c 31 2d 33 48 33 2c 28 48 2c 31 35 2c | 1(12,13)14/h4-5,16H,1-3H3,(H,15, |
aaa80 | 31 37 29 00 00 7b 01 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 ee 04 77 61 72 6e 69 | 17)..{...._id.V.$9+r.0.....warni |
aaaa0 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c4 00 00 00 04 4d 50 32 44 | ngs.......fingerprints......MP2D |
aaac0 | 00 b9 00 00 00 02 30 00 17 00 00 00 31 37 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 | ......0.....17;1-1-2;2-1-2;2-1-1 |
aaae0 | 37 3b 00 02 31 00 17 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 32 2d 31 37 3b 32 2d 32 2d 31 37 3b | 7;..1.....2;1-1-2;1-2-17;2-2-17; |
aab00 | 00 02 32 00 17 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 32 2d 31 37 3b 32 2d 32 2d 31 37 3b 00 02 | ..2.....2;1-1-2;1-2-17;2-2-17;.. |
aab20 | 33 00 17 00 00 00 31 37 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 37 3b 00 02 34 00 | 3.....17;1-1-2;2-1-2;2-1-17;..4. |
aab40 | 17 00 00 00 31 37 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 37 3b 00 02 35 00 17 00 | ....17;1-1-2;2-1-2;2-1-17;..5... |
aab60 | 00 00 31 37 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 37 3b 00 00 00 02 73 6d 69 6c | ..17;1-1-2;2-1-2;2-1-17;....smil |
aab80 | 65 73 00 0c 00 00 00 49 43 28 3d 43 28 49 29 49 29 49 00 09 75 70 64 61 74 65 64 5f 61 74 00 2e | es.....IC(=C(I)I)I..updated_at.. |
aaba0 | 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a8 7f 7d 46 50 01 00 00 10 64 65 66 61 | .}FP....created_at...}FP....defa |
aabc0 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 | ult_fingerprint_size......inchi. |
aabe0 | 1b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 49 34 2f 63 33 2d 31 28 34 29 32 28 35 29 36 00 00 | ....InChI=1S/C2I4/c3-1(4)2(5)6.. |
aac00 | dc 04 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 ef 04 77 61 72 6e 69 6e 67 73 00 05 | ....._id.V.$9+r.0.....warnings.. |
aac20 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a9 03 00 00 04 4d 50 32 44 00 9e 03 00 00 | .....fingerprints......MP2D..... |
aac40 | 02 30 00 0f 00 00 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 2d 33 3b 00 02 31 00 1c 00 00 00 34 3b 31 | .0.....7;1-1-4;2-1-3;..1.....4;1 |
aac60 | 2d 31 2d 33 3b 31 2d 31 2d 37 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 00 30 00 00 00 | -1-3;1-1-7;2-1-3;2-1-11;..2.0... |
aac80 | 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 34 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 37 | 3;1-1-3;1-1-4;1-1-11;2-1-3;2-1-7 |
aaca0 | 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 32 39 3b 00 02 33 00 1d 00 00 00 31 31 3b 31 2d 31 2d 33 3b | ;2-1-11;2-1-29;..3.....11;1-1-3; |
aacc0 | 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 34 3b 00 02 34 00 1e 00 00 00 31 31 3b 31 2d | 1-1-11;2-3-3;2-1-4;..4.....11;1- |
aace0 | 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 35 00 2b 00 00 00 | 2-3;1-1-11;2-4-3;2-1-19;..5.+... |
aad00 | 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 3;1-1-3;1-1-11;1-1-19;2-2-3;2-1- |
aad20 | 31 31 3b 32 2d 31 2d 32 39 3b 00 02 36 00 30 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 39 | 11;2-1-29;..6.0...3;1-2-3;1-1-29 |
aad40 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 34 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 31 39 | ;2-1-1;2-1-4;2-1-9;2-2-11;2-1-19 |
aad60 | 3b 00 02 37 00 23 00 00 00 32 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d | ;..7.#...29;1-1-1;1-1-3;1-1-9;2- |
aad80 | 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 38 00 16 00 00 00 39 3b 31 2d 31 2d 32 39 3b 32 2d 31 2d | 2-3;2-3-16;..8.....9;1-1-29;2-1- |
aada0 | 31 3b 32 2d 31 2d 33 3b 00 02 39 00 1d 00 00 00 31 3b 31 2d 33 2d 31 36 3b 31 2d 31 2d 32 39 3b | 1;2-1-3;..9.....1;1-3-16;1-1-29; |
aadc0 | 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 30 00 18 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d | 2-1-3;2-1-9;..10.....16;1-1-1;2- |
aade0 | 32 2d 31 36 3b 32 2d 31 2d 32 39 3b 00 02 31 31 00 18 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d | 2-16;2-1-29;..11.....16;1-1-1;2- |
aae00 | 32 2d 31 36 3b 32 2d 31 2d 32 39 3b 00 02 31 32 00 18 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d | 2-16;2-1-29;..12.....16;1-1-1;2- |
aae20 | 32 2d 31 36 3b 32 2d 31 2d 32 39 3b 00 02 31 33 00 17 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d | 2-16;2-1-29;..13.....19;1-1-3;2- |
aae40 | 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 34 00 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 1-3;2-1-11;..14.$...3;1-2-3;1-1- |
aae60 | 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 32 2d 31 35 3b 00 02 31 35 00 1d 00 00 00 | 11;2-3-3;2-1-11;2-2-15;..15..... |
aae80 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 36 | 3;1-2-3;1-1-15;2-2-3;2-1-11;..16 |
aaea0 | 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 37 00 1c 00 00 00 33 3b 31 | .....15;1-1-3;2-2-3;..17.....3;1 |
aaec0 | 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 38 00 1c 00 00 | -2-3;2-1-1;2-2-3;2-1-15;..18.... |
aaee0 | 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 31 39 | .3;1-1-1;1-2-3;2-2-3;2-3-16;..19 |
aaf00 | 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b | .....3;1-2-3;2-1-1;2-2-3;2-1-15; |
aaf20 | 00 02 32 30 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d | ..20.....3;1-2-3;1-1-15;2-2-3;2- |
aaf40 | 31 2d 31 31 3b 00 02 32 31 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 | 1-11;..21.....15;1-1-3;2-2-3;..2 |
aaf60 | 32 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 32 33 00 | 2.....1;1-1-3;1-3-16;2-2-3;..23. |
aaf80 | 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 34 00 17 | ....16;1-1-1;2-1-3;2-2-16;..24.. |
aafa0 | 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 35 00 17 00 | ...16;1-1-1;2-1-3;2-2-16;..25... |
aafc0 | 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 00 00 02 73 6d 69 6c | ..16;1-1-1;2-1-3;2-2-16;....smil |
aafe0 | 65 73 00 35 00 00 00 4e 23 43 63 31 6e 6e 28 63 28 63 31 53 28 3d 4f 29 43 28 46 29 28 46 29 46 | es.5...N#Cc1nn(c(c1S(=O)C(F)(F)F |
ab000 | 29 4e 29 63 31 63 28 43 6c 29 63 63 28 63 63 31 43 6c 29 43 28 46 29 28 46 29 46 00 09 75 70 64 | )N)c1c(Cl)cc(cc1Cl)C(F)(F)F..upd |
ab020 | 61 74 65 64 5f 61 74 00 30 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 b0 7f 7d 46 | ated_at.0.}FP....created_at...}F |
ab040 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
ab060 | 00 00 02 69 6e 63 68 69 00 6e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 34 43 6c 32 46 36 | ...inchi.n...InChI=1S/C12H4Cl2F6 |
ab080 | 4e 34 4f 53 2f 63 31 33 2d 35 2d 31 2d 34 28 31 31 28 31 35 2c 31 36 29 31 37 29 32 2d 36 28 31 | N4OS/c13-5-1-4(11(15,16)17)2-6(1 |
ab0a0 | 34 29 38 28 35 29 32 34 2d 31 30 28 32 32 29 39 28 37 28 33 2d 32 31 29 32 33 2d 32 34 29 32 36 | 4)8(5)24-10(22)9(7(3-21)23-24)26 |
ab0c0 | 28 32 35 29 31 32 28 31 38 2c 31 39 29 32 30 2f 68 31 2d 32 48 2c 32 32 48 32 00 00 0b 03 00 00 | (25)12(18,19)20/h1-2H,22H2...... |
ab0e0 | 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 f0 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V.$9+r.0.....warnings...... |
ab100 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 15 02 00 00 04 4d 50 32 44 00 0a 02 00 00 02 30 00 0f | .fingerprints......MP2D......0.. |
ab120 | 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 15 00 00 00 33 3b 31 2d 31 2d 31 | ...1;1-1-3;2-2-3;..1.....3;1-1-1 |
ab140 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | ;1-2-3;2-2-3;..2.....3;1-2-3;2-1 |
ab160 | 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | -1;2-2-3;..3.....3;1-2-3;2-2-3;2 |
ab180 | 2d 31 2d 31 31 3b 00 02 34 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 | -1-11;..4.....3;1-2-3;1-1-11;2-3 |
ab1a0 | 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 35 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 | -3;2-1-11;..5.....3;1-2-3;1-1-11 |
ab1c0 | 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-3-3;2-1-11;..6.....3;1-2-3;2- |
ab1e0 | 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 37 00 17 00 00 00 31 31 3b 31 2d 32 2d | 1-1;2-2-3;2-1-11;..7.....11;1-2- |
ab200 | 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 38 00 2b 00 00 00 33 3b 31 2d 31 2d 33 3b 31 | 3;2-3-3;2-1-18;..8.+...3;1-1-3;1 |
ab220 | 2d 31 2d 31 31 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 | -1-11;1-1-18;2-2-3;2-1-11;2-1-18 |
ab240 | 3b 00 02 39 00 2b 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 38 3b 32 | ;..9.+...3;1-1-3;1-1-11;1-1-18;2 |
ab260 | 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 31 30 00 17 00 00 00 31 31 3b 31 | -2-3;2-1-11;2-1-18;..10.....11;1 |
ab280 | 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 31 31 00 24 00 00 00 31 38 3b 31 2d | -2-3;2-3-3;2-1-18;..11.$...18;1- |
ab2a0 | 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 | 2-3;2-1-3;2-1-9;2-1-11;2-1-18;.. |
ab2c0 | 31 32 00 16 00 00 00 33 3b 31 2d 31 2d 39 3b 31 2d 32 2d 31 38 3b 32 2d 32 2d 33 3b 00 02 31 33 | 12.....3;1-1-9;1-2-18;2-2-3;..13 |
ab2e0 | 00 10 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 38 3b 00 02 31 34 00 24 00 00 00 31 38 3b | .....9;1-1-3;2-2-18;..14.$...18; |
ab300 | 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b | 1-2-3;2-1-3;2-1-9;2-1-11;2-1-18; |
ab320 | 00 00 00 02 73 6d 69 6c 65 73 00 1d 00 00 00 43 63 31 63 63 63 32 63 28 63 31 29 6e 63 31 63 28 | ....smiles.....Cc1ccc2c(c1)nc1c( |
ab340 | 6e 32 29 73 63 28 3d 4f 29 73 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 38 8a 7d 46 50 01 00 00 | n2)sc(=O)s1..updated_at.8.}FP... |
ab360 | 09 63 72 65 61 74 65 64 5f 61 74 00 bf 7f 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at...}FP....default_fin |
ab380 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 49 00 00 00 49 6e 43 | gerprint_size......inchi.I...InC |
ab3a0 | 68 49 3d 31 53 2f 43 31 30 48 36 4e 32 4f 53 32 2f 63 31 2d 35 2d 32 2d 33 2d 36 2d 37 28 34 2d | hI=1S/C10H6N2OS2/c1-5-2-3-6-7(4- |
ab3c0 | 35 29 31 32 2d 39 2d 38 28 31 31 2d 36 29 31 34 2d 31 30 28 31 33 29 31 35 2d 39 2f 68 32 2d 34 | 5)12-9-8(11-6)14-10(13)15-9/h2-4 |
ab3e0 | 48 2c 31 48 33 00 00 c1 02 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 f1 04 77 61 72 | H,1H3......._id.V.$9+r.0.....war |
ab400 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 cd 01 00 00 04 4d 50 | nings.......fingerprints......MP |
ab420 | 32 44 00 c2 01 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 | 2D......0.....15;1-1-1;2-1-2;..1 |
ab440 | 00 1d 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 | .....1;1-1-2;1-1-15;2-1-9;2-1-28 |
ab460 | 3b 00 02 32 00 29 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d | ;..2.)...2;1-1-1;1-1-9;1-1-28;2- |
ab480 | 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 33 00 16 00 00 00 39 3b 31 2d 31 2d 32 | 1-1;2-1-3;2-1-15;..3.....9;1-1-2 |
ab4a0 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 34 00 28 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 | ;2-1-1;2-1-28;..4.(...28;1-1-1;1 |
ab4c0 | 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 33 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 35 | -1-2;1-1-3;2-3-1;2-2-3;2-1-9;..5 |
ab4e0 | 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b | ."...3;1-2-3;1-1-28;2-1-1;2-1-2; |
ab500 | 32 2d 32 2d 33 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 2-2-3;..6.....3;1-2-3;2-2-3;2-1- |
ab520 | 32 38 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 | 28;..7.....3;1-2-3;2-2-3;..8.... |
ab540 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | .3;1-2-3;2-2-3;..9.....3;1-2-3;2 |
ab560 | 2d 32 2d 33 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | -2-3;..10.....3;1-2-3;2-2-3;2-1- |
ab580 | 32 38 3b 00 02 31 31 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 | 28;..11.....1;1-2-1;1-1-28;2-1-2 |
ab5a0 | 3b 32 2d 31 2d 33 3b 00 02 31 32 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d | ;2-1-3;..12.....1;1-1-1;2-1-1;2- |
ab5c0 | 31 2d 32 38 3b 00 02 31 33 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d | 1-28;..13.....1;1-1-1;2-1-1;2-1- |
ab5e0 | 32 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 43 6c 43 43 28 3d 4f 29 4e 28 63 31 63 63 | 28;....smiles.....ClCC(=O)N(c1cc |
ab600 | 63 63 63 31 29 43 28 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 3b 8a 7d 46 50 01 00 00 09 | ccc1)C(C)C..updated_at.;.}FP.... |
ab620 | 63 72 65 61 74 65 64 5f 61 74 00 c6 7f 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at...}FP....default_fing |
ab640 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 4b 00 00 00 49 6e 43 68 | erprint_size......inchi.K...InCh |
ab660 | 49 3d 31 53 2f 43 31 31 48 31 34 43 6c 4e 4f 2f 63 31 2d 39 28 32 29 31 33 28 31 31 28 31 34 29 | I=1S/C11H14ClNO/c1-9(2)13(11(14) |
ab680 | 38 2d 31 32 29 31 30 2d 36 2d 34 2d 33 2d 35 2d 37 2d 31 30 2f 68 33 2d 37 2c 39 48 2c 38 48 32 | 8-12)10-6-4-3-5-7-10/h3-7,9H,8H2 |
ab6a0 | 2c 31 2d 32 48 33 00 00 e9 03 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 f2 04 77 61 | ,1-2H3......._id.V.$9+r.0.....wa |
ab6c0 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ca 02 00 00 04 4d | rnings.......fingerprints......M |
ab6e0 | 50 32 44 00 bf 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 | P2D......0.....1;1-1-1;2-2-1;..1 |
ab700 | 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 | .....1;1-3-1;2-1-1;2-1-2;2-1-6;. |
ab720 | 02 32 00 2e 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 32 2d 31 | .2.....1;1-2-1;1-1-2;1-1-6;2-2-1 |
ab740 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d | ;2-1-2;2-1-9;2-1-28;..3.....1;1- |
ab760 | 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 34 00 28 00 00 00 36 3b | 1-1;2-1-1;2-1-2;2-1-6;..4.(...6; |
ab780 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d | 1-1-1;1-1-2;2-2-1;2-1-2;2-1-3;2- |
ab7a0 | 31 2d 32 38 3b 00 02 35 00 2f 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 31 2d 31 2d 32 | 1-28;..5./...2;1-1-3;1-1-6;1-1-2 |
ab7c0 | 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 36 00 22 | 8;2-1-1;2-1-2;2-1-3;2-1-11;..6." |
ab7e0 | 00 00 00 32 38 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d | ...28;1-2-2;2-1-1;2-1-3;2-1-6;2- |
ab800 | 31 2d 39 3b 00 02 37 00 28 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 | 1-9;..7.(...2;1-1-1;1-1-9;1-1-28 |
ab820 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 38 00 16 00 00 00 39 3b 31 2d 31 | ;2-2-1;2-1-2;2-1-6;..8.....9;1-1 |
ab840 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 39 00 2f 00 00 00 33 3b 31 2d 31 2d 32 3b | -2;2-1-1;2-1-28;..9./...3;1-1-2; |
ab860 | 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 | 1-1-3;1-1-11;2-1-2;2-2-3;2-1-6;2 |
ab880 | 2d 31 2d 32 38 3b 00 02 31 30 00 16 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d | -1-28;..10.....11;1-2-3;2-1-2;2- |
ab8a0 | 32 2d 33 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d | 2-3;..11.....3;1-1-3;1-1-11;2-2- |
ab8c0 | 33 3b 00 02 31 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b | 3;..12.....3;1-2-3;2-1-3;2-1-11; |
ab8e0 | 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 | ..13.....3;1-2-3;2-1-2;2-2-3;..1 |
ab900 | 34 00 29 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b | 4.)...3;1-1-2;1-2-3;2-1-2;2-1-3; |
ab920 | 32 2d 31 2d 31 31 3b 32 2d 32 2d 33 32 3b 00 02 31 35 00 16 00 00 00 32 3b 31 2d 31 2d 33 3b 31 | 2-1-11;2-2-32;..15.....2;1-1-3;1 |
ab940 | 2d 32 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 31 36 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d | -2-32;2-2-3;..16.....32;1-1-2;2- |
ab960 | 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 37 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 | 1-3;2-1-32;..17.....32;1-1-2;2-1 |
ab980 | 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 38 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 | -3;2-1-32;..18.....1;1-1-1;2-2-1 |
ab9a0 | 3b 00 00 00 02 73 6d 69 6c 65 73 00 23 00 00 00 43 43 28 43 31 28 43 29 4e 3d 43 28 4e 43 31 3d | ;....smiles.#...CC(C1(C)N=C(NC1= |
ab9c0 | 4f 29 63 31 6e 63 63 63 63 31 43 28 3d 4f 29 4f 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 3e | O)c1ncccc1C(=O)O)C..updated_at.> |
ab9e0 | 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d6 7f 7d 46 50 01 00 00 10 64 65 66 61 | .}FP....created_at...}FP....defa |
aba00 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 | ult_fingerprint_size......inchi. |
aba20 | 6c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 33 48 31 35 4e 33 4f 33 2f 63 31 2d 37 28 32 29 31 | l...InChI=1S/C13H15N3O3/c1-7(2)1 |
aba40 | 33 28 33 29 31 32 28 31 39 29 31 35 2d 31 30 28 31 36 2d 31 33 29 39 2d 38 28 31 31 28 31 37 29 | 3(3)12(19)15-10(16-13)9-8(11(17) |
aba60 | 31 38 29 35 2d 34 2d 36 2d 31 34 2d 39 2f 68 34 2d 37 48 2c 31 2d 33 48 33 2c 28 48 2c 31 37 2c | 18)5-4-6-14-9/h4-7H,1-3H3,(H,17, |
aba80 | 31 38 29 28 48 2c 31 35 2c 31 36 2c 31 39 29 00 00 3e 04 00 00 07 5f 69 64 00 56 16 24 39 2b 72 | 18)(H,15,16,19)..>...._id.V.$9+r |
abaa0 | ed 30 fb 00 00 f3 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .0.....warnings.......fingerprin |
abac0 | 74 73 00 0a 03 00 00 04 4d 50 32 44 00 ff 02 00 00 02 30 00 0f 00 00 00 37 3b 31 2d 31 2d 34 3b | ts......MP2D......0.....7;1-1-4; |
abae0 | 32 2d 31 2d 31 3b 00 02 31 00 1b 00 00 00 34 3b 31 2d 31 2d 31 3b 31 2d 31 2d 37 3b 32 2d 31 2d | 2-1-1;..1.....4;1-1-1;1-1-7;2-1- |
abb00 | 33 3b 32 2d 31 2d 38 3b 00 02 32 00 27 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 34 3b 31 2d | 3;2-1-8;..2.'...1;1-1-3;1-1-4;1- |
abb20 | 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 37 3b 00 02 33 00 21 00 00 00 33 3b | 1-8;2-1-2;2-2-3;2-1-7;..3.!...3; |
abb40 | 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 34 3b 32 2d 31 2d 38 3b 00 02 | 1-1-1;1-2-3;2-2-3;2-1-4;2-1-8;.. |
abb60 | 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 0f 00 | 4.....3;1-2-3;2-1-1;2-2-3;..5... |
abb80 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | ..3;1-2-3;2-2-3;..6.....3;1-2-3; |
abba0 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 2-2-3;2-1-8;..7.....3;1-2-3;1-1- |
abbc0 | 38 3b 32 2d 33 2d 33 3b 00 02 38 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | 8;2-3-3;..8.....3;1-2-3;2-1-1;2- |
abbe0 | 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 0f 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b | 2-3;2-1-8;..9.....8;1-2-3;2-4-3; |
abc00 | 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 31 | ..10.....3;1-2-3;1-1-8;2-3-3;..1 |
abc20 | 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 32 00 0f | 1.....3;1-2-3;2-2-3;2-1-8;..12.. |
abc40 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d | ...3;1-2-3;2-2-3;..13.....3;1-2- |
abc60 | 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | 3;2-2-3;..14.....3;1-2-3;2-2-3;. |
abc80 | 02 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 36 | .15.....3;1-2-3;2-2-3;2-1-8;..16 |
abca0 | 00 27 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 | .'...8;1-1-1;1-1-2;2-1-1;2-1-3;2 |
abcc0 | 2d 31 2d 34 3b 32 2d 31 2d 39 3b 00 02 31 37 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -1-4;2-1-9;..17.....2;1-1-1;1-1- |
abce0 | 38 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b 00 02 31 38 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 | 8;1-1-9;2-3-1;..18.....9;1-1-2;2 |
abd00 | 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 39 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d | -1-1;2-1-8;..19.!...1;1-2-1;1-1- |
abd20 | 32 3b 32 2d 36 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 30 00 15 00 00 00 31 3b 31 | 2;2-6-1;2-1-8;2-1-9;..20.....1;1 |
abd40 | 2d 34 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 31 00 15 00 00 00 31 3b 31 2d 34 2d | -4-1;2-4-1;2-1-2;..21.....1;1-4- |
abd60 | 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 32 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 | 1;2-4-1;2-1-2;..22.....1;1-1-1;2 |
abd80 | 2d 33 2d 31 3b 00 02 32 33 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 32 34 | -3-1;..23.....1;1-1-1;2-3-1;..24 |
abda0 | 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 32 35 00 0f 00 00 00 31 3b 31 2d | .....1;1-1-1;2-3-1;..25.....1;1- |
abdc0 | 31 2d 31 3b 32 2d 33 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 2f 00 00 00 4e 23 43 43 28 63 31 | 1-1;2-3-1;....smiles./...N#CC(c1 |
abde0 | 63 63 63 63 28 63 31 29 4f 63 31 63 63 63 63 63 31 29 4f 43 28 3d 4f 29 43 31 43 28 43 31 28 43 | cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C |
abe00 | 29 43 29 28 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 6d 8b 7d 46 50 01 00 00 09 63 72 65 | )C)(C)C..updated_at.m.}FP....cre |
abe20 | 61 74 65 64 5f 61 74 00 de 7f 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at...}FP....default_fingerp |
abe40 | 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 75 00 00 00 49 6e 43 68 49 3d 31 | rint_size......inchi.u...InChI=1 |
abe60 | 53 2f 43 32 32 48 32 33 4e 4f 33 2f 63 31 2d 32 31 28 32 29 31 39 28 32 32 28 32 31 2c 33 29 34 | S/C22H23NO3/c1-21(2)19(22(21,3)4 |
abe80 | 29 32 30 28 32 34 29 32 36 2d 31 38 28 31 34 2d 32 33 29 31 35 2d 39 2d 38 2d 31 32 2d 31 37 28 | )20(24)26-18(14-23)15-9-8-12-17( |
abea0 | 31 33 2d 31 35 29 32 35 2d 31 36 2d 31 30 2d 36 2d 35 2d 37 2d 31 31 2d 31 36 2f 68 35 2d 31 33 | 13-15)25-16-10-6-5-7-11-16/h5-13 |
abec0 | 2c 31 38 2d 31 39 48 2c 31 2d 34 48 33 00 00 15 02 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 | ,18-19H,1-4H3......._id.V.$9+r.0 |
abee0 | fb 00 00 f4 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 | .....warnings.......fingerprints |
abf00 | 00 41 01 00 00 04 4d 50 32 44 00 36 01 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 | .A....MP2D.6....0.....1;1-1-28;2 |
abf20 | 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 00 24 00 00 00 32 38 3b 31 2d 32 2d 31 3b 31 2d 31 2d | -1-1;2-1-2;..1.$...28;1-2-1;1-1- |
abf40 | 32 3b 32 2d 31 2d 35 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 32 00 1c 00 00 00 31 3b | 2;2-1-5;2-1-10;2-1-18;..2.....1; |
abf60 | 31 2d 31 2d 35 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 00 17 00 00 | 1-1-5;1-1-28;2-3-1;2-1-2;..3.... |
abf80 | 00 35 3b 31 2d 33 2d 31 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 32 38 3b 00 02 34 00 0f 00 00 00 31 | .5;1-3-1;2-1-10;2-1-28;..4.....1 |
abfa0 | 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 35 00 1c 00 00 00 31 3b 31 2d 31 2d 35 3b 31 2d 31 | ;1-1-5;2-2-1;..5.....1;1-1-5;1-1 |
abfc0 | 2d 31 30 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 36 00 24 00 00 00 31 30 3b 31 2d 31 2d 31 | -10;2-2-1;2-1-2;..6.$...10;1-1-1 |
abfe0 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 35 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 32 38 3b 00 02 37 00 1e | ;1-1-2;2-1-5;2-1-18;2-1-28;..7.. |
ac000 | 00 00 00 32 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 31 38 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b | ...2;1-1-10;1-1-18;1-1-28;2-3-1; |
ac020 | 00 02 38 00 18 00 00 00 31 38 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 32 38 3b 00 | ..8.....18;1-1-2;2-1-10;2-1-28;. |
ac040 | 00 00 02 73 6d 69 6c 65 73 00 0f 00 00 00 43 4e 31 43 4e 28 43 29 43 53 43 31 3d 53 00 09 75 70 | ...smiles.....CN1CN(C)CSC1=S..up |
ac060 | 64 61 74 65 64 5f 61 74 00 4e 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e4 7f 7d | dated_at.N.}FP....created_at...} |
ac080 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
ac0a0 | 00 00 00 02 69 6e 63 68 69 00 35 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 31 30 4e 32 53 32 | ....inchi.5...InChI=1S/C5H10N2S2 |
ac0c0 | 2f 63 31 2d 36 2d 33 2d 37 28 32 29 35 28 38 29 39 2d 34 2d 36 2f 68 33 2d 34 48 32 2c 31 2d 32 | /c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2 |
ac0e0 | 48 33 00 00 ad 04 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 f5 04 77 61 72 6e 69 6e | H3......._id.V.$9+r.0.....warnin |
ac100 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 68 03 00 00 04 4d 50 32 44 00 | gs.......fingerprints.h....MP2D. |
ac120 | 5d 03 00 00 02 30 00 0f 00 00 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 2d 31 3b 00 02 31 00 1b 00 00 | ]....0.....7;1-1-4;2-1-1;..1.... |
ac140 | 00 34 3b 31 2d 31 2d 31 3b 31 2d 31 2d 37 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 00 27 | .4;1-1-1;1-1-7;2-1-3;2-1-8;..2.' |
ac160 | 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 34 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 | ...1;1-1-3;1-1-4;1-1-8;2-1-2;2-2 |
ac180 | 2d 33 3b 32 2d 31 2d 37 3b 00 02 33 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 | -3;2-1-7;..3.!...3;1-1-1;1-2-3;2 |
ac1a0 | 2d 32 2d 33 3b 32 2d 31 2d 34 3b 32 2d 31 2d 38 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 | -2-3;2-1-4;2-1-8;..4.....3;1-2-3 |
ac1c0 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | ;2-1-1;2-2-3;..5.....3;1-2-3;2-2 |
ac1e0 | 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 | -3;..6.....3;1-2-3;2-2-3;2-1-8;. |
ac200 | 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 38 00 1b | .7.....3;1-2-3;1-1-8;2-3-3;..8.. |
ac220 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 | ...3;1-2-3;2-1-1;2-2-3;2-1-8;..9 |
ac240 | 00 0f 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d | .....8;1-2-3;2-4-3;..10.....3;1- |
ac260 | 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;1-1-8;2-3-3;..11.....3;1-2-3 |
ac280 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-3;2-1-8;..12.....3;1-2-3;2- |
ac2a0 | 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 | 2-3;..13.....3;1-2-3;2-2-3;..14. |
ac2c0 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 | ....3;1-2-3;2-2-3;..15.....3;1-2 |
ac2e0 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 36 00 27 00 00 00 38 3b 31 2d 31 2d 31 3b | -3;2-2-3;2-1-8;..16.'...8;1-1-1; |
ac300 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 34 3b 32 2d 31 2d 39 3b 00 02 | 1-1-2;2-1-1;2-1-3;2-1-4;2-1-9;.. |
ac320 | 31 37 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 | 17.....2;1-1-1;1-1-8;1-1-9;2-3-1 |
ac340 | 3b 00 02 31 38 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 | ;..18.....9;1-1-2;2-1-1;2-1-8;.. |
ac360 | 31 39 00 27 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 | 19.'...1;1-2-1;1-1-2;2-4-1;2-1-2 |
ac380 | 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 30 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d | ;2-1-8;2-1-9;..20.....1;1-2-1;1- |
ac3a0 | 31 2d 32 3b 32 2d 34 2d 31 3b 32 2d 32 2d 32 3b 00 02 32 31 00 15 00 00 00 31 3b 31 2d 34 2d 31 | 1-2;2-4-1;2-2-2;..21.....1;1-4-1 |
ac3c0 | 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 32 32 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d | ;2-2-1;2-2-2;..22.....1;1-1-1;2- |
ac3e0 | 33 2d 31 3b 00 02 32 33 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 32 34 00 | 3-1;..23.....1;1-1-1;2-3-1;..24. |
ac400 | 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 32 2d 31 35 3b 00 | ....2;1-1-1;1-1-2;2-2-1;2-2-15;. |
ac420 | 02 32 35 00 16 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 32 2d 31 35 3b 32 2d 31 2d 31 3b 00 02 32 | .25.....2;1-1-2;1-2-15;2-1-1;..2 |
ac440 | 36 00 17 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 32 37 | 6.....15;1-1-2;2-1-2;2-1-15;..27 |
ac460 | 00 17 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 00 00 02 73 | .....15;1-1-2;2-1-2;2-1-15;....s |
ac480 | 6d 69 6c 65 73 00 34 00 00 00 4e 23 43 43 28 63 31 63 63 63 63 28 63 31 29 4f 63 31 63 63 63 63 | miles.4...N#CC(c1cccc(c1)Oc1cccc |
ac4a0 | 63 31 29 4f 43 28 3d 4f 29 43 31 43 28 43 31 28 43 29 43 29 43 3d 43 28 43 6c 29 43 6c 00 09 75 | c1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl..u |
ac4c0 | 70 64 61 74 65 64 5f 61 74 00 e9 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 eb 7f | pdated_at...}FP....created_at... |
ac4e0 | 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | }FP....default_fingerprint_size. |
ac500 | 00 00 00 00 02 69 6e 63 68 69 00 81 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 32 48 31 39 43 6c | .....inchi.....InChI=1S/C22H19Cl |
ac520 | 32 4e 4f 33 2f 63 31 2d 32 32 28 32 29 31 37 28 31 32 2d 31 39 28 32 33 29 32 34 29 32 30 28 32 | 2NO3/c1-22(2)17(12-19(23)24)20(2 |
ac540 | 32 29 32 31 28 32 36 29 32 38 2d 31 38 28 31 33 2d 32 35 29 31 34 2d 37 2d 36 2d 31 30 2d 31 36 | 2)21(26)28-18(13-25)14-7-6-10-16 |
ac560 | 28 31 31 2d 31 34 29 32 37 2d 31 35 2d 38 2d 34 2d 33 2d 35 2d 39 2d 31 35 2f 68 33 2d 31 32 2c | (11-14)27-15-8-4-3-5-9-15/h3-12, |
ac580 | 31 37 2d 31 38 2c 32 30 48 2c 31 2d 32 48 33 00 00 99 03 00 00 07 5f 69 64 00 56 16 24 39 2b 72 | 17-18,20H,1-2H3......._id.V.$9+r |
ac5a0 | ed 30 fb 00 00 f6 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .0.....warnings.......fingerprin |
ac5c0 | 74 73 00 8d 02 00 00 04 4d 50 32 44 00 82 02 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 | ts......MP2D......0.....15;1-1-1 |
ac5e0 | 3b 32 2d 32 2d 31 3b 00 02 31 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d | ;2-2-1;..1.....1;1-2-1;1-1-15;2- |
ac600 | 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 00 22 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b | 3-1;2-1-8;..2."...1;1-2-1;1-1-8; |
ac620 | 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 35 3b 00 02 33 00 0f 00 00 00 38 3b 31 2d 32 | 2-3-1;2-1-8;2-1-15;..3.....8;1-2 |
ac640 | 2d 31 3b 32 2d 34 2d 31 3b 00 02 34 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 | -1;2-4-1;..4.....1;1-2-1;1-1-8;2 |
ac660 | 2d 34 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 22 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 34 2d 31 | -4-1;2-1-8;..5."...1;1-3-1;2-4-1 |
ac680 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 35 3b 00 02 36 00 1c 00 00 00 31 3b 31 2d | ;2-1-2;2-1-8;2-1-15;..6.....1;1- |
ac6a0 | 33 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 31 35 3b 00 02 37 00 29 00 00 00 31 | 3-1;2-4-1;2-1-2;2-2-15;..7.)...1 |
ac6c0 | 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b | ;1-2-1;1-1-2;1-1-15;2-3-1;2-1-2; |
ac6e0 | 32 2d 33 2d 31 35 3b 00 02 38 00 16 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d | 2-3-15;..8.....15;1-1-1;2-2-1;2- |
ac700 | 31 2d 32 3b 00 02 39 00 23 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 | 1-2;..9.#...2;1-1-1;1-1-2;1-1-15 |
ac720 | 3b 32 2d 33 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 31 30 00 23 00 00 00 32 3b 31 2d 31 2d 31 3b 31 | ;2-3-1;2-2-15;..10.#...2;1-1-1;1 |
ac740 | 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 31 31 00 29 00 | -1-2;1-1-15;2-3-1;2-2-15;..11.). |
ac760 | 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d 31 3b 32 2d 31 | ..1;1-2-1;1-1-2;1-1-15;2-3-1;2-1 |
ac780 | 2d 32 3b 32 2d 33 2d 31 35 3b 00 02 31 32 00 23 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 32 2d 31 | -2;2-3-15;..12.#...1;1-2-1;1-2-1 |
ac7a0 | 35 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 32 2d 32 2d 31 35 3b 00 02 31 33 00 17 00 00 00 31 35 | 5;2-2-1;2-2-2;2-2-15;..13.....15 |
ac7c0 | 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 31 34 00 17 00 00 00 31 35 3b | ;1-1-1;2-2-1;2-1-15;..14.....15; |
ac7e0 | 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 31 35 00 16 00 00 00 31 35 3b 31 | 1-1-1;2-2-1;2-1-15;..15.....15;1 |
ac800 | 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 36 00 16 00 00 00 31 35 3b 31 2d 31 | -1-1;2-2-1;2-1-2;..16.....15;1-1 |
ac820 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 37 00 16 00 00 00 31 35 3b 31 2d 31 2d 32 | -2;2-1-1;2-1-2;..17.....15;1-1-2 |
ac840 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 2d 00 00 00 43 6c 43 31 | ;2-1-1;2-1-2;....smiles.-...ClC1 |
ac860 | 43 32 4f 43 32 43 32 43 31 43 31 28 43 6c 29 43 28 3d 43 28 43 32 28 43 31 28 43 6c 29 43 6c 29 | C2OC2C2C1C1(Cl)C(=C(C2(C1(Cl)Cl) |
ac880 | 43 6c 29 43 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 74 8b 7d 46 50 01 00 00 09 63 72 | Cl)Cl)Cl..updated_at.t.}FP....cr |
ac8a0 | 65 61 74 65 64 5f 61 74 00 f3 7f 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at...}FP....default_finger |
ac8c0 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 4f 00 00 00 49 6e 43 68 49 3d | print_size......inchi.O...InChI= |
ac8e0 | 31 53 2f 43 31 30 48 35 43 6c 37 4f 2f 63 31 31 2d 33 2d 31 2d 32 28 34 2d 35 28 33 29 31 38 2d | 1S/C10H5Cl7O/c11-3-1-2(4-5(3)18- |
ac900 | 34 29 39 28 31 35 29 37 28 31 33 29 36 28 31 32 29 38 28 31 2c 31 34 29 31 30 28 39 2c 31 36 29 | 4)9(15)7(13)6(12)8(1,14)10(9,16) |
ac920 | 31 37 2f 68 31 2d 35 48 00 00 5b 03 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 f7 04 | 17/h1-5H..[...._id.V.$9+r.0..... |
ac940 | 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 55 02 00 00 | warnings.......fingerprints.U... |
ac960 | 04 4d 50 32 44 00 4a 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 | .MP2D.J....0.....1;1-1-1;2-1-8;. |
ac980 | 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 32 00 1b | .1.....1;1-1-1;1-1-8;2-1-2;..2.. |
ac9a0 | 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 | ...8;1-1-1;1-1-2;2-2-1;2-1-9;..3 |
ac9c0 | 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 | ."...2;1-1-1;1-1-8;1-1-9;2-1-1;2 |
ac9e0 | 2d 31 2d 31 31 3b 00 02 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d | -1-11;..4.....9;1-1-2;2-1-1;2-1- |
aca00 | 38 3b 00 02 35 00 22 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 | 8;..5."...1;1-1-2;1-1-11;2-2-3;2 |
aca20 | 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 36 00 29 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d | -1-8;2-1-9;..6.)...11;1-1-1;1-2- |
aca40 | 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 38 3b 00 02 37 00 23 | 3;2-1-2;2-2-3;2-1-9;2-1-18;..7.# |
aca60 | 00 00 00 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 38 3b 32 2d 31 2d 31 3b 32 | ...3;1-1-9;1-1-11;1-1-18;2-1-1;2 |
aca80 | 2d 32 2d 33 3b 00 02 38 00 17 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d | -2-3;..8.....9;1-1-3;2-1-11;2-1- |
acaa0 | 31 38 3b 00 02 39 00 1d 00 00 00 31 38 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b | 18;..9.....18;1-2-3;2-2-3;2-1-9; |
acac0 | 32 2d 31 2d 31 31 3b 00 02 31 30 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 38 3b 32 | 2-1-11;..10.....3;1-2-3;1-1-18;2 |
acae0 | 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 2a 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | -3-3;2-1-11;..11.*...3;1-2-3;1-1 |
acb00 | 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 31 38 3b 00 02 | -11;2-1-1;2-3-3;2-1-15;2-1-18;.. |
acb20 | 31 32 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 12.....3;1-2-3;1-1-15;2-2-3;2-1- |
acb40 | 31 31 3b 00 02 31 33 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 | 11;..13.....15;1-1-3;2-2-3;..14. |
acb60 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 35 00 0f 00 | ....3;1-2-3;2-2-3;2-1-15;..15... |
acb80 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 | ..3;1-2-3;2-2-3;..16.....3;1-2-3 |
acba0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 1f 00 00 00 43 43 4f | ;2-2-3;2-1-18;....smiles.....CCO |
acbc0 | 43 28 3d 4f 29 43 6e 31 63 28 3d 4f 29 73 63 32 63 31 63 28 43 6c 29 63 63 63 32 00 09 75 70 64 | C(=O)Cn1c(=O)sc2c1c(Cl)ccc2..upd |
acbe0 | 61 74 65 64 5f 61 74 00 56 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f9 7f 7d 46 | ated_at.V.}FP....created_at...}F |
acc00 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
acc20 | 00 00 02 69 6e 63 68 69 00 57 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 31 48 31 30 43 6c 4e 4f | ...inchi.W...InChI=1S/C11H10ClNO |
acc40 | 33 53 2f 63 31 2d 32 2d 31 36 2d 39 28 31 34 29 36 2d 31 33 2d 31 30 2d 37 28 31 32 29 34 2d 33 | 3S/c1-2-16-9(14)6-13-10-7(12)4-3 |
acc60 | 2d 35 2d 38 28 31 30 29 31 37 2d 31 31 28 31 33 29 31 35 2f 68 33 2d 35 48 2c 32 2c 36 48 32 2c | -5-8(10)17-11(13)15/h3-5H,2,6H2, |
acc80 | 31 48 33 00 00 67 04 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 f8 04 77 61 72 6e 69 | 1H3..g...._id.V.$9+r.0.....warni |
acca0 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 32 03 00 00 04 4d 50 32 44 | ngs.......fingerprints.2....MP2D |
accc0 | 00 27 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 10 00 | .'....0.....1;1-1-1;2-1-1;..1... |
acce0 | 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 32 00 1c 00 00 00 31 3b 31 2d 31 2d 31 | ..1;1-2-1;2-1-19;..2.....1;1-1-1 |
acd00 | 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 00 1c 00 00 00 31 39 3b 31 | ;1-1-19;2-2-1;2-1-3;..3.....19;1 |
acd20 | 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 23 00 00 00 33 | -2-1;1-1-3;2-2-1;2-2-3;..4.#...3 |
acd40 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 39 | ;1-2-3;1-1-19;2-2-1;2-2-3;2-2-19 |
acd60 | 3b 00 02 35 00 2a 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d | ;..5.*...3;1-2-3;1-1-19;2-2-3;2- |
acd80 | 31 2d 39 3b 32 2d 31 2d 31 39 3b 32 2d 31 2d 33 32 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d | 1-9;2-1-19;2-1-32;..6.....3;1-2- |
acda0 | 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 23 00 00 00 33 3b 31 | 3;2-1-1;2-2-3;2-1-19;..7.#...3;1 |
acdc0 | 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b 32 2d 31 2d 31 39 3b 00 | -1-1;1-2-3;2-2-3;2-3-16;2-1-19;. |
acde0 | 02 38 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d | .8.#...3;1-2-3;1-1-19;2-1-1;2-2- |
ace00 | 33 3b 32 2d 31 2d 31 39 3b 00 02 39 00 2a 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b | 3;2-1-19;..9.*...3;1-2-3;1-1-19; |
ace20 | 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 39 3b 32 2d 31 2d 33 32 3b 00 02 31 30 00 1d | 2-2-3;2-1-9;2-2-19;2-1-32;..10.. |
ace40 | 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 33 32 3b 32 2d 32 2d 33 3b 00 | ...19;1-1-3;1-1-9;1-1-32;2-2-3;. |
ace60 | 02 31 31 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 | .11.....9;1-1-19;2-1-3;2-1-32;.. |
ace80 | 31 32 00 17 00 00 00 33 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 | 12.....32;1-1-19;2-1-3;2-1-9;..1 |
acea0 | 33 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 16 00 00 00 31 3b | 3.....19;1-1-3;2-2-3;..14.....1; |
acec0 | 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 31 35 00 17 00 00 00 31 36 3b 31 | 1-1-3;1-3-16;2-2-3;..15.....16;1 |
acee0 | 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 31 36 00 17 00 00 00 31 36 3b 31 2d | -1-1;2-1-3;2-2-16;..16.....16;1- |
acf00 | 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 31 37 00 17 00 00 00 31 36 3b 31 2d 31 | 1-1;2-1-3;2-2-16;..17.....16;1-1 |
acf20 | 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 31 38 00 1d 00 00 00 31 39 3b 31 2d 31 2d | -1;2-1-3;2-2-16;..18.....19;1-1- |
acf40 | 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 31 39 00 17 00 00 00 39 3b | 3;1-1-9;1-1-32;2-2-3;..19.....9; |
acf60 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 32 30 00 17 00 00 00 33 32 3b | 1-1-19;2-1-3;2-1-32;..20.....32; |
acf80 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 31 00 1c 00 00 00 31 3b 31 2d | 1-1-19;2-1-3;2-1-9;..21.....1;1- |
acfa0 | 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 32 00 10 00 00 00 | 1-1;1-1-19;2-2-1;2-1-3;..22..... |
acfc0 | 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 32 33 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b | 1;1-2-1;2-1-19;..23.....1;1-1-1; |
acfe0 | 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 39 00 00 00 43 43 43 4e 28 63 31 63 28 63 63 | 2-1-1;....smiles.9...CCCN(c1c(cc |
ad000 | 28 63 28 63 31 5b 4e 2b 5d 28 3d 4f 29 5b 4f 2d 5d 29 4e 29 43 28 46 29 28 46 29 46 29 5b 4e 2b | (c(c1[N+](=O)[O-])N)C(F)(F)F)[N+ |
ad020 | 5d 28 3d 4f 29 5b 4f 2d 5d 29 43 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 58 8a 7d 46 50 01 | ](=O)[O-])CCC..updated_at.X.}FP. |
ad040 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 00 80 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at...}FP....default_f |
ad060 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 6c 00 00 00 49 | ingerprint_size......inchi.l...I |
ad080 | 6e 43 68 49 3d 31 53 2f 43 31 33 48 31 37 46 33 4e 34 4f 34 2f 63 31 2d 33 2d 35 2d 31 38 28 36 | nChI=1S/C13H17F3N4O4/c1-3-5-18(6 |
ad0a0 | 2d 34 2d 32 29 31 31 2d 39 28 31 39 28 32 31 29 32 32 29 37 2d 38 28 31 33 28 31 34 2c 31 35 29 | -4-2)11-9(19(21)22)7-8(13(14,15) |
ad0c0 | 31 36 29 31 30 28 31 37 29 31 32 28 31 31 29 32 30 28 32 33 29 32 34 2f 68 37 48 2c 33 2d 36 2c | 16)10(17)12(11)20(23)24/h7H,3-6, |
ad0e0 | 31 37 48 32 2c 31 2d 32 48 33 00 00 4a 04 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 | 17H2,1-2H3..J...._id.V.$9+r.0... |
ad100 | f9 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 1f 03 | ..warnings.......fingerprints... |
ad120 | 00 00 04 4d 50 32 44 00 14 03 00 00 02 30 00 0f 00 00 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 2d 31 | ...MP2D......0.....7;1-1-4;2-1-1 |
ad140 | 3b 00 02 31 00 1b 00 00 00 34 3b 31 2d 31 2d 31 3b 31 2d 31 2d 37 3b 32 2d 32 2d 31 3b 32 2d 31 | ;..1.....4;1-1-1;1-1-7;2-2-1;2-1 |
ad160 | 2d 33 3b 00 02 32 00 2e 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 34 3b 32 | -3;..2.....1;1-2-1;1-1-3;1-1-4;2 |
ad180 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 37 3b 32 2d 31 2d 31 31 3b 00 02 33 00 21 00 00 00 | -1-1;2-2-3;2-1-7;2-1-11;..3.!... |
ad1a0 | 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 34 3b | 3;1-1-1;1-2-3;2-2-1;2-2-3;2-1-4; |
ad1c0 | 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 | ..4.....3;1-2-3;2-1-1;2-2-3;..5. |
ad1e0 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d | ....3;1-2-3;2-2-3;..6.....3;1-2- |
ad200 | 33 3b 32 2d 32 2d 33 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 | 3;2-2-3;..7.....3;1-2-3;2-2-3;.. |
ad220 | 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 29 00 | 8.....3;1-2-3;2-1-1;2-2-3;..9.). |
ad240 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 | ..1;1-1-1;1-1-11;2-1-1;2-2-3;2-1 |
ad260 | 2d 34 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 2a 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -4;2-1-11;..10.*...11;1-1-1;1-1- |
ad280 | 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 31 | 3;1-1-11;2-1-1;2-1-3;2-1-11;..11 |
ad2a0 | 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 | .....3;1-2-11;2-1-1;2-1-3;2-1-11 |
ad2c0 | 3b 00 02 31 32 00 11 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 33 00 17 | ;..12.....11;1-2-3;2-2-11;..13.. |
ad2e0 | 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 34 00 24 00 | ...3;1-2-11;2-1-3;2-1-11;..14.$. |
ad300 | 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d | ..11;1-1-3;1-1-11;2-1-1;2-1-3;2- |
ad320 | 31 2d 31 31 3b 00 02 31 35 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d | 1-11;..15.....1;1-2-1;2-1-1;2-2- |
ad340 | 33 3b 32 2d 31 2d 34 3b 00 02 31 36 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 | 3;2-1-4;..16.....1;1-1-1;1-1-3;2 |
ad360 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 37 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d | -1-1;2-2-3;..17.....3;1-1-1;1-2- |
ad380 | 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;2-1-1;2-2-3;..18.....3;1-2-3;2 |
ad3a0 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -1-1;2-2-3;..19.....3;1-2-3;2-2- |
ad3c0 | 33 3b 32 2d 31 2d 31 35 3b 00 02 32 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 | 3;2-1-15;..20.....3;1-2-3;1-1-15 |
ad3e0 | 3b 32 2d 32 2d 33 3b 00 02 32 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | ;2-2-3;..21.....3;1-2-3;2-2-3;2- |
ad400 | 31 2d 31 35 3b 00 02 32 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | 1-15;..22.....3;1-2-3;2-1-1;2-2- |
ad420 | 33 3b 00 02 32 33 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d | 3;..23.....15;1-1-3;2-2-3;....sm |
ad440 | 69 6c 65 73 00 27 00 00 00 4e 23 43 43 28 63 31 63 63 63 63 63 31 29 28 43 6e 31 63 6e 63 6e 31 | iles.'...N#CC(c1ccccc1)(Cn1cncn1 |
ad460 | 29 43 43 63 31 63 63 63 28 63 63 31 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 c0 8b 7d 46 | )CCc1ccc(cc1)Cl..updated_at...}F |
ad480 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 07 80 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at...}FP....default |
ad4a0 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 74 00 00 | _fingerprint_size......inchi.t.. |
ad4c0 | 00 49 6e 43 68 49 3d 31 53 2f 43 31 39 48 31 37 43 6c 4e 34 2f 63 32 30 2d 31 38 2d 38 2d 36 2d | .InChI=1S/C19H17ClN4/c20-18-8-6- |
ad4e0 | 31 36 28 37 2d 39 2d 31 38 29 31 30 2d 31 31 2d 31 39 28 31 32 2d 32 31 2c 31 33 2d 32 34 2d 31 | 16(7-9-18)10-11-19(12-21,13-24-1 |
ad500 | 35 2d 32 32 2d 31 34 2d 32 33 2d 32 34 29 31 37 2d 34 2d 32 2d 31 2d 33 2d 35 2d 31 37 2f 68 31 | 5-22-14-23-24)17-4-2-1-3-5-17/h1 |
ad520 | 2d 39 2c 31 34 2d 31 35 48 2c 31 30 2d 31 31 2c 31 33 48 32 00 00 c7 03 00 00 07 5f 69 64 00 56 | -9,14-15H,10-11,13H2......._id.V |
ad540 | 16 24 39 2b 72 ed 30 fb 00 00 fa 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | .$9+r.0.....warnings.......finge |
ad560 | 72 70 72 69 6e 74 73 00 a4 02 00 00 04 4d 50 32 44 00 99 02 00 00 02 30 00 10 00 00 00 31 35 3b | rprints......MP2D......0.....15; |
ad580 | 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 1-1-3;2-2-3;..1.....3;1-2-3;1-1- |
ad5a0 | 31 35 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 15;2-2-3;..2.....3;1-2-3;2-2-3;2 |
ad5c0 | 2d 31 2d 31 35 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | -1-15;..3.....3;1-2-3;2-1-1;2-2- |
ad5e0 | 33 3b 00 02 34 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | 3;..4.....3;1-1-1;1-2-3;2-1-1;2- |
ad600 | 32 2d 33 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | 2-3;..5.....3;1-2-3;2-1-1;2-2-3; |
ad620 | 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 37 | ..6.....3;1-2-3;2-2-3;2-1-15;..7 |
ad640 | 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | .....1;1-1-1;1-1-3;2-1-1;2-2-3;. |
ad660 | 02 38 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 | .8.....1;1-2-1;2-2-1;2-1-3;2-1-8 |
ad680 | 3b 00 02 39 00 1c 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 38 3b 32 2d 34 2d 31 3b 32 2d 31 | ;..9.....1;1-3-1;1-1-8;2-4-1;2-1 |
ad6a0 | 2d 31 31 3b 00 02 31 30 00 15 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 | -11;..10.....1;1-4-1;2-2-1;2-1-8 |
ad6c0 | 3b 00 02 31 31 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 32 00 0f 00 00 | ;..11.....1;1-1-1;2-3-1;..12.... |
ad6e0 | 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 33 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b | .1;1-1-1;2-3-1;..13.....1;1-1-1; |
ad700 | 32 2d 33 2d 31 3b 00 02 31 34 00 29 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 31 3b 32 2d | 2-3-1;..14.)...1;1-1-1;1-1-11;2- |
ad720 | 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 31 35 00 2a 00 00 00 | 2-1;2-1-3;2-1-8;2-1-11;..15.*... |
ad740 | 31 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d | 11;1-1-1;1-1-3;1-1-11;2-1-1;2-1- |
ad760 | 33 3b 32 2d 31 2d 31 31 3b 00 02 31 36 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 | 3;2-1-11;..16.....3;1-2-11;2-1-1 |
ad780 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 37 00 11 00 00 00 31 31 3b 31 2d 32 2d 33 3b | ;2-1-3;2-1-11;..17.....11;1-2-3; |
ad7a0 | 32 2d 32 2d 31 31 3b 00 02 31 38 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 33 3b 32 | 2-2-11;..18.....3;1-2-11;2-1-3;2 |
ad7c0 | 2d 31 2d 31 31 3b 00 02 31 39 00 24 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 | -1-11;..19.$...11;1-1-3;1-1-11;2 |
ad7e0 | 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 30 00 0f 00 00 00 38 3b 31 2d 31 | -1-1;2-1-3;2-1-11;..20.....8;1-1 |
ad800 | 2d 31 3b 32 2d 33 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 25 00 00 00 43 6c 63 31 63 63 63 28 | -1;2-3-1;....smiles.%...Clc1ccc( |
ad820 | 63 63 31 29 43 43 43 28 43 28 43 29 28 43 29 43 29 28 43 6e 31 63 6e 63 6e 31 29 4f 00 09 75 70 | cc1)CCC(C(C)(C)C)(Cn1cncn1)O..up |
ad840 | 64 61 74 65 64 5f 61 74 00 5d 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 0e 80 7d | dated_at.].}FP....created_at...} |
ad860 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
ad880 | 00 00 00 02 69 6e 63 68 69 00 6e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 36 48 32 32 43 6c 4e | ....inchi.n...InChI=1S/C16H22ClN |
ad8a0 | 33 4f 2f 63 31 2d 31 35 28 32 2c 33 29 31 36 28 32 31 2c 31 30 2d 32 30 2d 31 32 2d 31 38 2d 31 | 3O/c1-15(2,3)16(21,10-20-12-18-1 |
ad8c0 | 31 2d 31 39 2d 32 30 29 39 2d 38 2d 31 33 2d 34 2d 36 2d 31 34 28 31 37 29 37 2d 35 2d 31 33 2f | 1-19-20)9-8-13-4-6-14(17)7-5-13/ |
ad8e0 | 68 34 2d 37 2c 31 31 2d 31 32 2c 32 31 48 2c 38 2d 31 30 48 32 2c 31 2d 33 48 33 00 00 be 04 00 | h4-7,11-12,21H,8-10H2,1-3H3..... |
ad900 | 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 fb 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V.$9+r.0.....warnings..... |
ad920 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 73 03 00 00 04 4d 50 32 44 00 68 03 00 00 02 30 00 | ..fingerprints.s....MP2D.h....0. |
ad940 | 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 1b 00 00 00 | ....9;1-1-2;2-1-1;2-1-8;..1..... |
ad960 | 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b 00 02 32 00 27 00 | 2;1-1-1;1-1-8;1-1-9;2-3-1;..2.'. |
ad980 | 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d | ..1;1-2-1;1-1-2;2-4-1;2-1-2;2-1- |
ad9a0 | 38 3b 32 2d 31 2d 39 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d | 8;2-1-9;..3.....1;1-2-1;1-1-2;2- |
ad9c0 | 34 2d 31 3b 32 2d 32 2d 32 3b 00 02 34 00 15 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 32 2d 31 3b | 4-1;2-2-2;..4.....1;1-4-1;2-2-1; |
ad9e0 | 32 2d 32 2d 32 3b 00 02 35 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 36 00 | 2-2-2;..5.....1;1-1-1;2-3-1;..6. |
ada00 | 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 37 00 1c 00 00 00 32 3b 31 2d 31 2d | ....1;1-1-1;2-3-1;..7.....2;1-1- |
ada20 | 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 38 00 23 00 00 00 32 3b 31 | 1;1-1-2;2-3-1;2-1-15;..8.#...2;1 |
ada40 | 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 33 2d 31 36 3b 00 | -1-1;1-1-2;1-1-15;2-1-1;2-3-16;. |
ada60 | 02 39 00 1d 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 33 2d 31 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d | .9.....1;1-1-2;1-3-16;2-1-2;2-1- |
ada80 | 31 35 3b 00 02 31 30 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 31 | 15;..10.....16;1-1-1;2-1-2;2-2-1 |
adaa0 | 36 3b 00 02 31 31 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 31 36 | 6;..11.....16;1-1-1;2-1-2;2-2-16 |
adac0 | 3b 00 02 31 32 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 31 36 3b | ;..12.....16;1-1-1;2-1-2;2-2-16; |
adae0 | 00 02 31 33 00 16 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 | ..13.....15;1-1-2;2-1-1;2-1-2;.. |
adb00 | 31 34 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 | 14.!...8;1-1-1;1-1-2;2-1-1;2-1-3 |
adb20 | 3b 32 2d 31 2d 39 3b 00 02 31 35 00 1b 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d | ;2-1-9;..15.....1;1-1-3;1-1-8;2- |
adb40 | 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 36 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 | 1-2;2-2-3;..16.!...3;1-1-1;1-2-3 |
adb60 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 37 00 15 00 00 00 33 3b 31 2d | ;2-1-1;2-2-3;2-1-8;..17.....3;1- |
adb80 | 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-1-1;2-2-3;..18.....3;1-2-3 |
adba0 | 3b 32 2d 32 2d 33 3b 00 02 31 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 | ;2-2-3;..19.....3;1-2-3;2-3-3;.. |
adbc0 | 32 30 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 31 2d 31 3b 32 2d 34 2d 33 3b 00 02 32 31 00 | 20.....3;1-3-3;2-1-1;2-4-3;..21. |
adbe0 | 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 | ....3;1-1-1;1-2-3;2-1-1;2-3-3;.. |
adc00 | 32 32 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 33 00 0f 00 00 00 33 3b | 22.....1;1-1-3;2-2-3;..23.....3; |
adc20 | 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 32 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 | 1-3-3;2-4-3;..24.....3;1-2-3;2-3 |
adc40 | 2d 33 3b 00 02 32 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 36 00 0f | -3;..25.....3;1-2-3;2-2-3;..26.. |
adc60 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 37 00 0f 00 00 00 33 3b 31 2d 32 2d | ...3;1-2-3;2-2-3;..27.....3;1-2- |
adc80 | 33 3b 32 2d 32 2d 33 3b 00 02 32 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 | 3;2-2-3;..28.....3;1-2-3;2-3-3;. |
adca0 | 00 00 02 73 6d 69 6c 65 73 00 35 00 00 00 4f 3d 43 28 43 31 43 28 43 31 28 43 29 43 29 43 3d 43 | ...smiles.5...O=C(C1C(C1(C)C)C=C |
adcc0 | 28 43 28 46 29 28 46 29 46 29 43 6c 29 4f 43 63 31 63 63 63 63 28 63 31 43 29 63 31 63 63 63 63 | (C(F)(F)F)Cl)OCc1cccc(c1C)c1cccc |
adce0 | 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 e1 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | c1..updated_at...}FP....created_ |
add00 | 61 74 00 15 80 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at...}FP....default_fingerprint_ |
add20 | 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 86 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 33 | size......inchi.....InChI=1S/C23 |
add40 | 48 32 32 43 6c 46 33 4f 32 2f 63 31 2d 31 34 2d 31 36 28 31 30 2d 37 2d 31 31 2d 31 37 28 31 34 | H22ClF3O2/c1-14-16(10-7-11-17(14 |
add60 | 29 31 35 2d 38 2d 35 2d 34 2d 36 2d 39 2d 31 35 29 31 33 2d 32 39 2d 32 31 28 32 38 29 32 30 2d | )15-8-5-4-6-9-15)13-29-21(28)20- |
add80 | 31 38 28 32 32 28 32 30 2c 32 29 33 29 31 32 2d 31 39 28 32 34 29 32 33 28 32 35 2c 32 36 29 32 | 18(22(20,2)3)12-19(24)23(25,26)2 |
adda0 | 37 2f 68 34 2d 31 32 2c 31 38 2c 32 30 48 2c 31 33 48 32 2c 31 2d 33 48 33 00 00 82 02 00 00 07 | 7/h4-12,18,20H,13H2,1-3H3....... |
addc0 | 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 fc 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V.$9+r.0.....warnings....... |
adde0 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 95 01 00 00 04 4d 50 32 44 00 8a 01 00 00 02 30 00 17 00 | fingerprints......MP2D......0... |
ade00 | 00 00 33 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 00 1d 00 00 00 | ..32;1-1-19;2-1-3;2-1-9;..1..... |
ade20 | 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 32 00 | 19;1-1-3;1-1-9;1-1-32;2-2-3;..2. |
ade40 | 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 33 00 23 00 | ....9;1-1-19;2-1-3;2-1-32;..3.#. |
ade60 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 | ..3;1-2-3;1-1-19;2-2-3;2-1-9;2-1 |
ade80 | 2d 33 32 3b 00 02 34 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 | -32;..4.....3;1-2-3;2-2-3;2-1-15 |
adea0 | 3b 32 2d 31 2d 31 39 3b 00 02 35 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 | ;2-1-19;..5.....3;1-2-3;1-1-15;2 |
adec0 | 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 36 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 | -2-3;2-1-19;..6.....15;1-1-3;2-2 |
adee0 | 2d 33 3b 00 02 37 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b | -3;..7.....3;1-2-3;1-1-19;2-2-3; |
adf00 | 32 2d 32 2d 31 35 3b 00 02 38 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d | 2-2-15;..8.....3;1-2-3;1-1-15;2- |
adf20 | 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 39 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 2-3;2-1-19;..9.....3;1-2-3;2-2-3 |
adf40 | 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 | ;2-1-15;2-1-19;..10.....15;1-1-3 |
adf60 | 3b 32 2d 32 2d 33 3b 00 02 31 31 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | ;2-2-3;..11.....19;1-1-3;2-2-3;. |
adf80 | 00 00 02 73 6d 69 6c 65 73 00 20 00 00 00 5b 4f 2d 5d 5b 4e 2b 5d 28 3d 4f 29 63 31 63 63 28 43 | ...smiles.....[O-][N+](=O)c1cc(C |
adfa0 | 6c 29 63 28 63 28 63 31 29 43 6c 29 4e 00 09 75 70 64 61 74 65 64 5f 61 74 00 8b 8c 7d 46 50 01 | l)c(c(c1)Cl)N..updated_at...}FP. |
adfc0 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 1f 80 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at...}FP....default_f |
adfe0 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 3d 00 00 00 49 | ingerprint_size......inchi.=...I |
ae000 | 6e 43 68 49 3d 31 53 2f 43 36 48 34 43 6c 32 4e 32 4f 32 2f 63 37 2d 34 2d 31 2d 33 28 31 30 28 | nChI=1S/C6H4Cl2N2O2/c7-4-1-3(10( |
ae020 | 31 31 29 31 32 29 32 2d 35 28 38 29 36 28 34 29 39 2f 68 31 2d 32 48 2c 39 48 32 00 00 49 03 00 | 11)12)2-5(8)6(4)9/h1-2H,9H2..I.. |
ae040 | 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 fd 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V.$9+r.0.....warnings..... |
ae060 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 3b 02 00 00 04 4d 50 32 44 00 30 02 00 00 02 30 00 | ..fingerprints.;....MP2D.0....0. |
ae080 | 17 00 00 00 33 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 00 1d 00 | ....32;1-1-19;2-1-3;2-1-9;..1... |
ae0a0 | 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 | ..19;1-1-3;1-1-9;1-1-32;2-2-3;.. |
ae0c0 | 32 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 33 00 | 2.....9;1-1-19;2-1-3;2-1-32;..3. |
ae0e0 | 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 | #...3;1-2-3;1-1-19;2-2-3;2-1-9;2 |
ae100 | 2d 31 2d 33 32 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d | -1-32;..4.....3;1-2-3;2-1-2;2-2- |
ae120 | 33 3b 32 2d 31 2d 31 39 3b 00 02 35 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 | 3;2-1-19;..5.(...3;1-1-2;1-2-3;2 |
ae140 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 36 00 1c 00 00 00 | -1-1;2-2-3;2-1-9;2-1-28;..6..... |
ae160 | 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 33 3b 00 02 37 00 16 | 2;1-1-3;1-1-9;1-1-28;2-2-3;..7.. |
ae180 | 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 38 00 16 00 00 00 | ...9;1-1-2;2-1-3;2-1-28;..8..... |
ae1a0 | 32 38 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 39 00 22 00 00 00 33 3b 31 | 28;1-1-2;2-1-3;2-1-9;..9."...3;1 |
ae1c0 | 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 | -1-1;1-2-3;2-1-2;2-2-3;2-1-19;.. |
ae1e0 | 31 30 00 29 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d | 10.)...3;1-2-3;1-1-19;2-1-1;2-2- |
ae200 | 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 33 32 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | 3;2-1-9;2-1-32;..11.....3;1-2-3; |
ae220 | 32 2d 32 2d 33 3b 32 2d 32 2d 31 39 3b 00 02 31 32 00 1d 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 | 2-2-3;2-2-19;..12.....19;1-1-3;1 |
ae240 | 2d 31 2d 39 3b 31 2d 31 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 31 33 00 17 00 00 00 39 3b 31 2d 31 | -1-9;1-1-32;2-2-3;..13.....9;1-1 |
ae260 | 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 34 00 17 00 00 00 33 32 3b 31 2d 31 | -19;2-1-3;2-1-32;..14.....32;1-1 |
ae280 | 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 35 00 0f 00 00 00 31 3b 31 2d 31 2d 33 | -19;2-1-3;2-1-9;..15.....1;1-1-3 |
ae2a0 | 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 2e 00 00 00 5b 4f 2d 5d 5b 4e 2b 5d 28 3d | ;2-2-3;....smiles.....[O-][N+](= |
ae2c0 | 4f 29 63 31 63 63 28 43 28 3d 4f 29 4e 29 63 28 63 28 63 31 29 5b 4e 2b 5d 28 3d 4f 29 5b 4f 2d | O)c1cc(C(=O)N)c(c(c1)[N+](=O)[O- |
ae2e0 | 5d 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 68 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 | ])C..updated_at.h.}FP....created |
ae300 | 5f 61 74 00 25 80 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at.%.}FP....default_fingerprint |
ae320 | 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 50 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 | _size......inchi.P...InChI=1S/C8 |
ae340 | 48 37 4e 33 4f 35 2f 63 31 2d 34 2d 36 28 38 28 39 29 31 32 29 32 2d 35 28 31 30 28 31 33 29 31 | H7N3O5/c1-4-6(8(9)12)2-5(10(13)1 |
ae360 | 34 29 33 2d 37 28 34 29 31 31 28 31 35 29 31 36 2f 68 32 2d 33 48 2c 31 48 33 2c 28 48 32 2c 39 | 4)3-7(4)11(15)16/h2-3H,1H3,(H2,9 |
ae380 | 2c 31 32 29 00 00 06 04 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 fe 04 77 61 72 6e | ,12)......._id.V.$9+r.0.....warn |
ae3a0 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 e0 02 00 00 04 4d 50 32 | ings.......fingerprints......MP2 |
ae3c0 | 44 00 d5 02 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 | D......0.....1;1-1-1;2-1-1;2-1-8 |
ae3e0 | 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 32 | ;..1.....1;1-2-1;1-1-8;2-1-3;..2 |
ae400 | 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 | .....8;1-1-1;1-1-3;2-2-1;2-2-3;. |
ae420 | 02 33 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | .3.....3;1-2-3;1-1-8;2-1-1;2-2-3 |
ae440 | 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 | ;..4.....3;1-2-3;2-2-3;2-1-8;..5 |
ae460 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 | .....3;1-2-3;2-2-3;..6.....3;1-2 |
ae480 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-2-3;2-1-28;..7.....3;1-2-3; |
ae4a0 | 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 38 00 1c 00 00 00 33 3b 31 2d 32 | 1-1-28;2-1-2;2-2-3;..8.....3;1-2 |
ae4c0 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 39 00 1c 00 00 00 32 38 | -3;2-2-3;2-1-8;2-1-28;..9.....28 |
ae4e0 | 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 30 00 1c 00 | ;1-1-2;1-1-3;2-3-3;2-1-9;..10... |
ae500 | 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 33 3b 00 02 31 | ..2;1-1-3;1-1-9;1-1-28;2-3-3;..1 |
ae520 | 31 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 | 1.....9;1-1-2;2-1-3;2-1-28;..12. |
ae540 | 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d | (...3;1-1-2;1-2-3;2-1-1;2-2-3;2- |
ae560 | 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 1-9;2-1-28;..13.....3;1-2-3;2-1- |
ae580 | 32 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | 2;2-2-3;..14.....3;1-2-3;2-2-3;. |
ae5a0 | 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 15 00 00 00 33 | .15.....3;1-2-3;2-2-3;..16.....3 |
ae5c0 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 37 00 22 00 00 00 33 3b 31 2d | ;1-2-3;2-1-1;2-2-3;..17."...3;1- |
ae5e0 | 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 31 | 1-1;1-2-3;2-1-2;2-2-3;2-3-16;..1 |
ae600 | 38 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 31 39 00 | 8.....1;1-1-3;1-3-16;2-2-3;..19. |
ae620 | 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 30 00 17 | ....16;1-1-1;2-1-3;2-2-16;..20.. |
ae640 | 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 31 00 17 00 | ...16;1-1-1;2-1-3;2-2-16;..21... |
ae660 | 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 32 00 15 00 00 | ..16;1-1-1;2-1-3;2-2-16;..22.... |
ae680 | 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 | .1;1-1-1;2-1-1;2-1-8;....smiles. |
ae6a0 | 27 00 00 00 43 43 28 4f 63 31 63 63 63 63 28 63 31 29 4e 43 28 3d 4f 29 63 31 63 63 63 63 63 31 | '...CC(Oc1cccc(c1)NC(=O)c1ccccc1 |
ae6c0 | 43 28 46 29 28 46 29 46 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 90 8b 7d 46 50 01 00 00 09 | C(F)(F)F)C..updated_at...}FP.... |
ae6e0 | 63 72 65 61 74 65 64 5f 61 74 00 2c 80 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at.,.}FP....default_fing |
ae700 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 6f 00 00 00 49 6e 43 68 | erprint_size......inchi.o...InCh |
ae720 | 49 3d 31 53 2f 43 31 37 48 31 36 46 33 4e 4f 32 2f 63 31 2d 31 31 28 32 29 32 33 2d 31 33 2d 37 | I=1S/C17H16F3NO2/c1-11(2)23-13-7 |
ae740 | 2d 35 2d 36 2d 31 32 28 31 30 2d 31 33 29 32 31 2d 31 36 28 32 32 29 31 34 2d 38 2d 33 2d 34 2d | -5-6-12(10-13)21-16(22)14-8-3-4- |
ae760 | 39 2d 31 35 28 31 34 29 31 37 28 31 38 2c 31 39 29 32 30 2f 68 33 2d 31 31 48 2c 31 2d 32 48 33 | 9-15(14)17(18,19)20/h3-11H,1-2H3 |
ae780 | 2c 28 48 2c 32 31 2c 32 32 29 00 00 c8 02 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 00 | ,(H,21,22)......._id.V.$9+r.0... |
ae7a0 | ff 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 d0 01 | ..warnings.......fingerprints... |
ae7c0 | 00 00 04 4d 50 32 44 00 c5 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 | ...MP2D......0.....1;1-1-8;2-1-2 |
ae7e0 | 38 3b 00 02 31 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 | 8;..1.....8;1-1-1;1-1-28;2-1-1;2 |
ae800 | 2d 31 2d 32 3b 00 02 32 00 29 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d | -1-2;..2.)...28;1-1-1;1-1-2;1-1- |
ae820 | 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 33 00 22 00 00 00 32 3b 31 | 8;2-1-1;2-1-9;2-1-28;..3."...2;1 |
ae840 | 2d 31 2d 39 3b 31 2d 32 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 | -1-9;1-2-28;2-1-1;2-1-3;2-1-8;.. |
ae860 | 34 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 35 00 23 00 00 00 32 38 3b | 4.....9;1-1-2;2-2-28;..5.#...28; |
ae880 | 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 | 1-1-2;1-1-3;2-2-3;2-1-9;2-1-28;. |
ae8a0 | 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d | .6.....3;1-2-3;1-1-28;2-1-2;2-2- |
ae8c0 | 33 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 | 3;..7.....3;1-2-3;2-2-3;2-1-28;. |
ae8e0 | 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 34 3b 00 02 39 00 | .8.....3;1-2-3;2-2-3;2-1-14;..9. |
ae900 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 34 3b 32 2d 32 2d 33 3b 00 02 31 30 00 16 00 | ....3;1-2-3;1-1-14;2-2-3;..10... |
ae920 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 34 3b 00 02 31 31 00 16 00 00 00 | ..3;1-2-3;2-2-3;2-1-14;..11..... |
ae940 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 10 00 00 00 31 34 | 3;1-2-3;2-2-3;2-1-28;..12.....14 |
ae960 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 | ;1-1-3;2-2-3;..13.....1;1-1-28;2 |
ae980 | 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 43 4f 4e 28 43 28 | -1-2;2-1-8;....smiles.....CON(C( |
ae9a0 | 3d 4f 29 4e 63 31 63 63 63 28 63 63 31 29 42 72 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 6f | =O)Nc1ccc(cc1)Br)C..updated_at.o |
ae9c0 | 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 38 80 7d 46 50 01 00 00 10 64 65 66 61 | .}FP....created_at.8.}FP....defa |
ae9e0 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 | ult_fingerprint_size......inchi. |
aea00 | 4f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 31 42 72 4e 32 4f 32 2f 63 31 2d 31 32 28 31 | O...InChI=1S/C9H11BrN2O2/c1-12(1 |
aea20 | 34 2d 32 29 39 28 31 33 29 31 31 2d 38 2d 35 2d 33 2d 37 28 31 30 29 34 2d 36 2d 38 2f 68 33 2d | 4-2)9(13)11-8-5-3-7(10)4-6-8/h3- |
aea40 | 36 48 2c 31 2d 32 48 33 2c 28 48 2c 31 31 2c 31 33 29 00 00 fd 03 00 00 07 5f 69 64 00 56 16 24 | 6H,1-2H3,(H,11,13)......._id.V.$ |
aea60 | 39 2b 72 ed 30 fb 00 01 00 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | 9+r.0.....warnings.......fingerp |
aea80 | 72 69 6e 74 73 00 d4 02 00 00 04 4d 50 32 44 00 c9 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 | rints......MP2D......0.....1;1-1 |
aeaa0 | 2d 38 3b 32 2d 31 2d 32 3b 00 02 31 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 | -8;2-1-2;..1.....8;1-1-1;1-1-2;2 |
aeac0 | 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 32 00 22 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d | -1-9;2-1-28;..2."...2;1-1-8;1-1- |
aeae0 | 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 00 16 00 00 00 39 3b 31 | 9;1-1-28;2-1-1;2-1-3;..3.....9;1 |
aeb00 | 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 34 00 22 00 00 00 32 38 3b 31 2d 31 | -1-2;2-1-8;2-1-28;..4."...28;1-1 |
aeb20 | 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 00 1c | -2;1-1-3;2-2-3;2-1-8;2-1-9;..5.. |
aeb40 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 | ...3;1-2-3;1-1-28;2-1-2;2-2-3;.. |
aeb60 | 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 37 00 0f | 6.....3;1-2-3;2-2-3;2-1-28;..7.. |
aeb80 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 | ...3;1-2-3;2-2-3;..8.....3;1-2-3 |
aeba0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | ;2-2-3;2-1-8;..9.....3;1-2-3;1-1 |
aebc0 | 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b | -8;2-1-2;2-2-3;..10.....3;1-2-3; |
aebe0 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 31 31 00 22 00 00 00 38 3b 31 2d | 2-2-3;2-1-8;2-1-28;..11."...8;1- |
aec00 | 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 | 1-2;1-1-3;2-2-3;2-1-9;2-1-28;..1 |
aec20 | 32 00 1c 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 33 | 2.....2;1-1-8;1-1-9;1-1-28;2-2-3 |
aec40 | 3b 00 02 31 33 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 | ;..13.....9;1-1-2;2-1-8;2-1-28;. |
aec60 | 02 31 34 00 22 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | .14."...28;1-1-2;1-1-3;2-2-3;2-1 |
aec80 | 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 | -8;2-1-9;..15.....3;1-2-3;1-1-28 |
aeca0 | 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-1-2;2-2-3;..16.....3;1-2-3;2- |
aecc0 | 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-3;2-1-28;..17.....3;1-2-3;2-2- |
aece0 | 33 3b 00 02 31 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | 3;..18.....3;1-2-3;2-1-1;2-2-3;. |
aed00 | 02 31 39 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 30 | .19.....3;1-1-1;1-2-3;2-2-3;..20 |
aed20 | 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b | .....3;1-2-3;2-1-1;2-2-3;2-1-28; |
aed40 | 00 02 32 31 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 | ..21.....1;1-1-3;2-2-3;....smile |
aed60 | 73 00 25 00 00 00 43 4f 43 28 3d 4f 29 4e 63 31 63 63 63 63 28 63 31 29 4f 43 28 3d 4f 29 4e 63 | s.%...COC(=O)Nc1cccc(c1)OC(=O)Nc |
aed80 | 31 63 63 63 63 28 63 31 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 71 8a 7d 46 50 01 00 00 09 | 1cccc(c1)C..updated_at.q.}FP.... |
aeda0 | 63 72 65 61 74 65 64 5f 61 74 00 3f 80 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at.?.}FP....default_fing |
aedc0 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 74 00 00 00 49 6e 43 68 | erprint_size......inchi.t...InCh |
aede0 | 49 3d 31 53 2f 43 31 36 48 31 36 4e 32 4f 34 2f 63 31 2d 31 31 2d 35 2d 33 2d 36 2d 31 32 28 39 | I=1S/C16H16N2O4/c1-11-5-3-6-12(9 |
aee00 | 2d 31 31 29 31 38 2d 31 36 28 32 30 29 32 32 2d 31 34 2d 38 2d 34 2d 37 2d 31 33 28 31 30 2d 31 | -11)18-16(20)22-14-8-4-7-13(10-1 |
aee20 | 34 29 31 37 2d 31 35 28 31 39 29 32 31 2d 32 2f 68 33 2d 31 30 48 2c 31 2d 32 48 33 2c 28 48 2c | 4)17-15(19)21-2/h3-10H,1-2H3,(H, |
aee40 | 31 37 2c 31 39 29 28 48 2c 31 38 2c 32 30 29 00 00 bd 03 00 00 07 5f 69 64 00 56 16 24 39 2b 72 | 17,19)(H,18,20)......._id.V.$9+r |
aee60 | ed 30 fb 00 01 01 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .0.....warnings.......fingerprin |
aee80 | 74 73 00 b6 02 00 00 04 4d 50 32 44 00 ab 02 00 00 02 30 00 16 00 00 00 38 3b 31 2d 31 2d 31 3b | ts......MP2D......0.....8;1-1-1; |
aeea0 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 00 29 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-1-1;2-1-28;..1.)...1;1-1-1;1-1 |
aeec0 | 2d 38 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 32 | -8;1-1-28;2-1-2;2-1-3;2-1-28;..2 |
aeee0 | 00 29 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b | .)...1;1-1-1;1-1-28;2-1-1;2-1-2; |
aef00 | 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 33 00 23 00 00 00 32 38 3b 31 2d 32 2d 31 3b 31 2d | 2-1-8;2-1-28;..3.#...28;1-2-1;1- |
aef20 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 34 00 1c 00 00 00 32 | 1-2;2-1-1;2-1-9;2-1-28;..4.....2 |
aef40 | 3b 31 2d 31 2d 39 3b 31 2d 32 2d 32 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 33 3b 00 02 35 00 10 00 | ;1-1-9;1-2-28;2-3-1;2-1-3;..5... |
aef60 | 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 36 00 3d 00 00 00 32 38 3b 31 2d 31 2d | ..9;1-1-2;2-2-28;..6.=...28;1-1- |
aef80 | 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b | 1;1-1-2;1-1-3;2-1-1;2-1-8;2-1-9; |
aefa0 | 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 32 38 3b 00 02 37 00 31 00 00 00 33 3b 31 | 2-1-11;2-1-18;2-1-28;..7.1...3;1 |
aefc0 | 2d 31 2d 31 31 3b 31 2d 31 2d 31 38 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b | -1-11;1-1-18;1-1-28;2-1-1;2-1-2; |
aefe0 | 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 25 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d | 2-1-3;2-1-11;..8.%...11;1-1-3;1- |
af000 | 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 32 38 3b 00 02 39 00 24 00 00 | 1-11;2-1-3;2-1-18;2-1-28;..9.$.. |
af020 | 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 | .11;1-1-3;1-1-11;2-1-1;2-1-3;2-1 |
af040 | 2d 31 38 3b 00 02 31 30 00 2a 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d | -18;..10.*...3;1-1-1;1-1-11;1-1- |
af060 | 31 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 1e 00 00 00 31 | 18;2-3-1;2-1-3;2-1-11;..11.....1 |
af080 | 38 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 31 32 | 8;1-2-3;2-1-1;2-2-11;2-1-28;..12 |
af0a0 | 00 1d 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 | .....1;1-3-1;1-1-3;2-1-11;2-1-18 |
af0c0 | 3b 00 02 31 33 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 | ;..13.....1;1-1-1;2-2-1;2-1-3;.. |
af0e0 | 31 34 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 35 00 | 14.....1;1-1-1;2-2-1;2-1-3;..15. |
af100 | 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 36 00 16 00 00 | ....1;1-1-1;2-2-1;2-1-3;..16.... |
af120 | 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 | .1;1-1-28;2-1-1;2-1-2;....smiles |
af140 | 00 21 00 00 00 4f 43 31 43 4e 28 43 28 3d 4f 29 4e 31 63 31 6e 6e 63 28 73 31 29 43 28 43 29 28 | .!...OC1CN(C(=O)N1c1nnc(s1)C(C)( |
af160 | 43 29 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 74 8a 7d 46 50 01 00 00 09 63 72 65 61 74 | C)C)C..updated_at.t.}FP....creat |
af180 | 65 64 5f 61 74 00 46 80 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at.F.}FP....default_fingerpri |
af1a0 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 56 00 00 00 49 6e 43 68 49 3d 31 53 2f | nt_size......inchi.V...InChI=1S/ |
af1c0 | 43 31 30 48 31 36 4e 34 4f 32 53 2f 63 31 2d 31 30 28 32 2c 33 29 37 2d 31 31 2d 31 32 2d 38 28 | C10H16N4O2S/c1-10(2,3)7-11-12-8( |
af1e0 | 31 37 2d 37 29 31 34 2d 36 28 31 35 29 35 2d 31 33 28 34 29 39 28 31 34 29 31 36 2f 68 36 2c 31 | 17-7)14-6(15)5-13(4)9(14)16/h6,1 |
af200 | 35 48 2c 35 48 32 2c 31 2d 34 48 33 00 00 ea 04 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb | 5H,5H2,1-4H3......._id.V.$9+r.0. |
af220 | 00 01 02 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 | ....warnings.......fingerprints. |
af240 | af 03 00 00 04 4d 50 32 44 00 a4 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 | .....MP2D......0.....1;1-1-8;2-1 |
af260 | 2d 33 3b 00 02 31 00 16 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b | -3;..1.....8;1-1-1;1-1-3;2-2-11; |
af280 | 00 02 32 00 1c 00 00 00 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 | ..2.....3;1-1-8;1-2-11;2-1-1;2-2 |
af2a0 | 2d 33 3b 00 02 33 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b | -3;..3.....11;1-2-3;2-1-1;2-1-8; |
af2c0 | 32 2d 32 2d 31 31 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 31 31 3b 32 2d | 2-2-11;..4.....3;1-1-1;1-2-11;2- |
af2e0 | 32 2d 33 3b 00 02 35 00 10 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 36 00 1e | 2-3;..5.....1;1-1-3;2-2-11;..6.. |
af300 | 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 32 38 3b | ...11;1-2-3;2-1-1;2-2-11;2-1-28; |
af320 | 00 02 37 00 23 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d | ..7.#...3;1-2-11;1-1-28;2-1-1;2- |
af340 | 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 38 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 38 | 1-2;2-2-3;..8.....11;1-2-3;2-1-8 |
af360 | 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 39 00 2a 00 00 00 32 38 3b 31 2d 31 2d 31 3b | ;2-2-11;2-1-28;..9.*...28;1-1-1; |
af380 | 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 32 38 3b | 1-1-2;1-1-3;2-1-9;2-2-11;2-1-28; |
af3a0 | 00 02 31 30 00 23 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 32 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d | ..10.#...2;1-1-9;1-2-28;2-1-1;2- |
af3c0 | 31 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 31 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d | 1-3;2-1-30;..11.....9;1-1-2;2-2- |
af3e0 | 32 38 3b 00 02 31 32 00 24 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d | 28;..12.$...28;1-1-2;1-1-30;2-1- |
af400 | 33 3b 32 2d 33 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 23 00 00 00 33 30 3b 31 2d 31 2d 33 | 3;2-3-9;2-1-28;..13.#...30;1-1-3 |
af420 | 3b 31 2d 32 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 34 00 1d | ;1-2-9;1-1-28;2-1-2;2-2-3;..14.. |
af440 | 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 | ...9;1-1-30;2-1-3;2-1-9;2-1-28;. |
af460 | 02 31 35 00 1d 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 | .15.....9;1-1-30;2-1-3;2-1-9;2-1 |
af480 | 2d 32 38 3b 00 02 31 36 00 29 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d | -28;..16.)...3;1-2-3;1-1-30;2-1- |
af4a0 | 32 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 37 00 16 00 00 00 33 3b | 2;2-2-3;2-2-9;2-1-28;..17.....3; |
af4c0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 38 00 0f 00 00 00 33 3b 31 2d | 1-2-3;2-2-3;2-1-30;..18.....3;1- |
af4e0 | 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 2-3;2-2-3;..19.....3;1-2-3;2-2-3 |
af500 | 3b 00 02 32 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 | ;..20.....3;1-2-3;2-1-2;2-2-3;.. |
af520 | 32 31 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 | 21.(...3;1-1-2;1-2-3;2-2-3;2-1-8 |
af540 | 3b 32 2d 31 2d 39 3b 32 2d 31 2d 33 30 3b 00 02 32 32 00 21 00 00 00 32 3b 31 2d 31 2d 33 3b 31 | ;2-1-9;2-1-30;..22.!...2;1-1-3;1 |
af560 | 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 33 00 15 00 00 00 | -1-8;1-1-9;2-1-1;2-2-3;..23..... |
af580 | 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 34 00 1b 00 00 00 38 3b 31 | 9;1-1-2;2-1-3;2-1-8;..24.....8;1 |
af5a0 | 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 35 00 0f 00 00 00 | -1-1;1-1-2;2-1-3;2-1-9;..25..... |
af5c0 | 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 32 36 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b | 1;1-1-8;2-1-2;..26.....1;1-1-28; |
af5e0 | 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 32 00 00 00 43 4f 63 31 6e | 2-1-2;2-1-3;....smiles.2...COc1n |
af600 | 63 28 43 29 6e 63 28 6e 31 29 4e 28 43 28 3d 4f 29 4e 53 28 3d 4f 29 28 3d 4f 29 63 31 63 63 63 | c(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccc |
af620 | 63 63 31 43 28 3d 4f 29 4f 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 79 8a 7d 46 50 01 00 | cc1C(=O)OC)C..updated_at.y.}FP.. |
af640 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 50 80 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at.P.}FP....default_fi |
af660 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 79 00 00 00 49 6e | ngerprint_size......inchi.y...In |
af680 | 43 68 49 3d 31 53 2f 43 31 35 48 31 37 4e 35 4f 36 53 2f 63 31 2d 39 2d 31 36 2d 31 33 28 31 38 | ChI=1S/C15H17N5O6S/c1-9-16-13(18 |
af6a0 | 2d 31 34 28 31 37 2d 39 29 32 36 2d 34 29 32 30 28 32 29 31 35 28 32 32 29 31 39 2d 32 37 28 32 | -14(17-9)26-4)20(2)15(22)19-27(2 |
af6c0 | 33 2c 32 34 29 31 31 2d 38 2d 36 2d 35 2d 37 2d 31 30 28 31 31 29 31 32 28 32 31 29 32 35 2d 33 | 3,24)11-8-6-5-7-10(11)12(21)25-3 |
af6e0 | 2f 68 35 2d 38 48 2c 31 2d 34 48 33 2c 28 48 2c 31 39 2c 32 32 29 00 00 ef 02 00 00 07 5f 69 64 | /h5-8H,1-4H3,(H,19,22)......._id |
af700 | 00 56 16 24 39 2b 72 ed 30 fb 00 01 03 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V.$9+r.0.....warnings.......fin |
af720 | 67 65 72 70 72 69 6e 74 73 00 ee 01 00 00 04 4d 50 32 44 00 e3 01 00 00 02 30 00 11 00 00 00 31 | gerprints......MP2D......0.....1 |
af740 | 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b | 5;1-1-3;2-2-11;..1.....3;1-2-11; |
af760 | 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 32 00 1f 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d | 1-1-15;2-2-3;..2.....11;1-2-3;2- |
af780 | 32 2d 31 31 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 31 39 3b 00 02 33 00 17 00 00 00 33 3b 31 2d 32 | 2-11;2-1-15;2-1-19;..3.....3;1-2 |
af7a0 | 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 33 2d 33 3b 00 02 34 00 1f 00 00 00 31 31 3b 31 2d 32 2d | -11;1-1-19;2-3-3;..4.....11;1-2- |
af7c0 | 33 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 31 39 3b 00 02 35 00 17 00 00 00 33 | 3;2-2-11;2-1-15;2-1-19;..5.....3 |
af7e0 | 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 36 00 18 00 00 00 31 31 3b | ;1-2-11;1-1-15;2-2-3;..6.....11; |
af800 | 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 32 2d 32 2d 31 35 3b 00 02 37 00 11 00 00 00 31 35 3b 31 | 1-2-3;2-2-11;2-2-15;..7.....15;1 |
af820 | 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 38 00 17 00 00 00 31 39 3b 31 2d 32 2d 33 3b 32 2d 32 | -1-3;2-2-11;..8.....19;1-2-3;2-2 |
af840 | 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 39 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 | -3;2-2-11;..9.....3;1-2-3;1-1-19 |
af860 | 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | ;2-3-3;2-1-15;..10.....3;1-2-3;2 |
af880 | 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | -2-3;2-1-19;..11.....3;1-2-3;2-2 |
af8a0 | 2d 33 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 16 | -3;..12.....3;1-2-3;2-2-3;..13.. |
af8c0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 34 00 1d 00 00 | ...3;1-2-3;2-2-3;2-1-15;..14.... |
af8e0 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 | .3;1-2-3;1-1-15;2-2-3;2-1-19;..1 |
af900 | 35 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 | 5.....15;1-1-3;2-2-3;....smiles. |
af920 | 1c 00 00 00 43 6c 63 31 6e 63 28 6e 63 28 6e 31 29 43 6c 29 4e 63 31 63 63 63 63 63 31 43 6c 00 | ....Clc1nc(nc(n1)Cl)Nc1ccccc1Cl. |
af940 | 09 75 70 64 61 74 65 64 5f 61 74 00 7c 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at.|.}FP....created_at. |
af960 | 57 80 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | W.}FP....default_fingerprint_siz |
af980 | 65 00 00 00 00 00 02 69 6e 63 68 69 00 55 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 35 43 6c | e......inchi.U...InChI=1S/C9H5Cl |
af9a0 | 33 4e 34 2f 63 31 30 2d 35 2d 33 2d 31 2d 32 2d 34 2d 36 28 35 29 31 33 2d 39 2d 31 35 2d 37 28 | 3N4/c10-5-3-1-2-4-6(5)13-9-15-7( |
af9c0 | 31 31 29 31 34 2d 38 28 31 32 29 31 36 2d 39 2f 68 31 2d 34 48 2c 28 48 2c 31 33 2c 31 34 2c 31 | 11)14-8(12)16-9/h1-4H,(H,13,14,1 |
af9e0 | 35 2c 31 36 29 00 00 3d 03 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 04 04 77 61 72 | 5,16)..=...._id.V.$9+r.0.....war |
afa00 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 3a 02 00 00 04 4d 50 | nings.......fingerprints.:....MP |
afa20 | 32 44 00 2f 02 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 | 2D./....0.....1;1-1-8;2-1-12;..1 |
afa40 | 00 1d 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 | .....8;1-1-1;1-1-12;2-2-8;2-1-18 |
afa60 | 3b 00 02 32 00 1d 00 00 00 31 32 3b 31 2d 33 2d 38 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 31 3b 32 | ;..2.....12;1-3-8;1-1-18;2-2-1;2 |
afa80 | 2d 31 2d 33 3b 00 02 33 00 11 00 00 00 31 38 3b 31 2d 31 2d 31 32 3b 32 2d 33 2d 38 3b 00 02 34 | -1-3;..3.....18;1-1-12;2-3-8;..4 |
afaa0 | 00 23 00 00 00 38 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b | .#...8;1-1-3;1-1-12;2-2-3;2-2-8; |
afac0 | 32 2d 31 2d 31 38 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 | 2-1-18;..5.....3;1-2-3;1-1-8;2-2 |
afae0 | 2d 33 3b 32 2d 31 2d 31 32 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | -3;2-1-12;..6.....3;1-2-3;2-2-3; |
afb00 | 32 2d 31 2d 38 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 2-1-8;..7.....3;1-2-3;2-2-3;2-1- |
afb20 | 31 39 3b 00 02 38 00 29 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b | 19;..8.)...3;1-2-3;1-1-19;2-1-1; |
afb40 | 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 33 32 3b 00 02 39 00 1c 00 00 00 33 3b 31 2d 31 | 2-2-3;2-1-9;2-1-32;..9.....3;1-1 |
afb60 | 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 1b 00 00 00 33 | -1;1-2-3;2-2-3;2-1-19;..10.....3 |
afb80 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 31 00 0f 00 | ;1-2-3;2-1-1;2-2-3;2-1-8;..11... |
afba0 | 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 1d 00 00 00 31 39 3b 31 2d 31 2d | ..1;1-1-3;2-2-3;..12.....19;1-1- |
afbc0 | 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 31 33 00 17 00 00 00 39 3b | 3;1-1-9;1-1-32;2-2-3;..13.....9; |
afbe0 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 34 00 17 00 00 00 33 32 3b | 1-1-19;2-1-3;2-1-32;..14.....32; |
afc00 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 35 00 1d 00 00 00 38 3b 31 2d | 1-1-19;2-1-3;2-1-9;..15.....8;1- |
afc20 | 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 31 36 00 10 00 00 | 1-1;1-1-12;2-2-8;2-1-18;..16.... |
afc40 | 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 26 00 00 00 43 | .1;1-1-8;2-1-12;....smiles.&...C |
afc60 | 4f 50 28 3d 53 29 28 4f 63 31 63 63 63 28 63 28 63 31 29 43 29 5b 4e 2b 5d 28 3d 4f 29 5b 4f 2d | OP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O- |
afc80 | 5d 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 7e 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 | ])OC..updated_at.~.}FP....create |
afca0 | 64 5f 61 74 00 5d 80 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.].}FP....default_fingerprin |
afcc0 | 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 4d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.M...InChI=1S/C |
afce0 | 39 48 31 32 4e 4f 35 50 53 2f 63 31 2d 37 2d 36 2d 38 28 34 2d 35 2d 39 28 37 29 31 30 28 31 31 | 9H12NO5PS/c1-7-6-8(4-5-9(7)10(11 |
afd00 | 29 31 32 29 31 35 2d 31 36 28 31 37 2c 31 33 2d 32 29 31 34 2d 33 2f 68 34 2d 36 48 2c 31 2d 33 | )12)15-16(17,13-2)14-3/h4-6H,1-3 |
afd20 | 48 33 00 00 9c 02 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 05 04 77 61 72 6e 69 6e | H3......._id.V.$9+r.0.....warnin |
afd40 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ab 01 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
afd60 | a0 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 | .....0.....1;1-1-8;2-1-3;..1.... |
afd80 | 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 28 00 00 00 33 3b 31 | .8;1-1-1;1-1-3;2-2-3;..2.(...3;1 |
afda0 | 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 | -2-3;1-1-8;2-1-1;2-1-2;2-2-3;2-1 |
afdc0 | 2d 31 35 3b 00 02 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 | -15;..3.....3;1-2-3;1-1-15;2-2-3 |
afde0 | 3b 32 2d 31 2d 38 3b 00 02 34 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 | ;2-1-8;..4.....15;1-1-3;2-2-3;.. |
afe00 | 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 36 00 16 | 5.....3;1-2-3;2-2-3;2-1-15;..6.. |
afe20 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 37 00 1c 00 00 00 | ...3;1-2-3;2-2-3;2-1-15;..7..... |
afe40 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 38 00 29 | 3;1-2-3;1-1-15;2-1-2;2-2-3;..8.) |
afe60 | 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 | ...3;1-1-2;1-2-3;2-2-3;2-1-8;2-1 |
afe80 | 2d 31 35 3b 32 2d 32 2d 33 32 3b 00 02 39 00 16 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 32 2d 33 | -15;2-2-32;..9.....2;1-1-3;1-2-3 |
afea0 | 32 3b 32 2d 32 2d 33 3b 00 02 31 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b | 2;2-2-3;..10.....32;1-1-2;2-1-3; |
afec0 | 32 2d 31 2d 33 32 3b 00 02 31 31 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 | 2-1-32;..11.....32;1-1-2;2-1-3;2 |
afee0 | 2d 31 2d 33 32 3b 00 02 31 32 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 | -1-32;..12.....15;1-1-3;2-2-3;.. |
aff00 | 00 02 73 6d 69 6c 65 73 00 19 00 00 00 43 4f 63 31 63 28 43 6c 29 63 63 63 28 63 31 43 28 3d 4f | ..smiles.....COc1c(Cl)ccc(c1C(=O |
aff20 | 29 4f 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 80 8a 7d 46 50 01 00 00 09 63 72 65 61 74 | )O)Cl..updated_at...}FP....creat |
aff40 | 65 64 5f 61 74 00 63 80 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at.c.}FP....default_fingerpri |
aff60 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 48 00 00 00 49 6e 43 68 49 3d 31 53 2f | nt_size......inchi.H...InChI=1S/ |
aff80 | 43 38 48 36 43 6c 32 4f 33 2f 63 31 2d 31 33 2d 37 2d 35 28 31 30 29 33 2d 32 2d 34 28 39 29 36 | C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6 |
affa0 | 28 37 29 38 28 31 31 29 31 32 2f 68 32 2d 33 48 2c 31 48 33 2c 28 48 2c 31 31 2c 31 32 29 00 00 | (7)8(11)12/h2-3H,1H3,(H,11,12).. |
affc0 | ad 04 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 06 04 77 61 72 6e 69 6e 67 73 00 05 | ....._id.V.$9+r.0.....warnings.. |
affe0 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 68 03 00 00 04 4d 50 32 44 00 5d 03 00 00 | .....fingerprints.h....MP2D.]... |
b0000 | 02 30 00 0f 00 00 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 2d 31 3b 00 02 31 00 1b 00 00 00 34 3b 31 | .0.....7;1-1-4;2-1-1;..1.....4;1 |
b0020 | 2d 31 2d 31 3b 31 2d 31 2d 37 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 00 27 00 00 00 31 | -1-1;1-1-7;2-1-3;2-1-8;..2.'...1 |
b0040 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 34 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 | ;1-1-3;1-1-4;1-1-8;2-1-2;2-2-3;2 |
b0060 | 2d 31 2d 37 3b 00 02 33 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -1-7;..3.!...3;1-1-1;1-2-3;2-2-3 |
b0080 | 3b 32 2d 31 2d 34 3b 32 2d 31 2d 38 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | ;2-1-4;2-1-8;..4.....3;1-2-3;2-1 |
b00a0 | 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | -1;2-2-3;..5.....3;1-2-3;2-2-3;. |
b00c0 | 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 15 | .6.....3;1-2-3;2-2-3;2-1-8;..7.. |
b00e0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 38 00 1b 00 00 00 33 | ...3;1-2-3;1-1-8;2-3-3;..8.....3 |
b0100 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 0f 00 00 | ;1-2-3;2-1-1;2-2-3;2-1-8;..9.... |
b0120 | 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | .8;1-2-3;2-4-3;..10.....3;1-2-3; |
b0140 | 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 1-1-8;2-3-3;..11.....3;1-2-3;2-2 |
b0160 | 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | -3;2-1-8;..12.....3;1-2-3;2-2-3; |
b0180 | 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f 00 00 00 | ..13.....3;1-2-3;2-2-3;..14..... |
b01a0 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-2-3;2-2-3;..15.....3;1-2-3;2 |
b01c0 | 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 36 00 27 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -2-3;2-1-8;..16.'...8;1-1-1;1-1- |
b01e0 | 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 34 3b 32 2d 31 2d 39 3b 00 02 31 37 00 1b | 2;2-1-1;2-1-3;2-1-4;2-1-9;..17.. |
b0200 | 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b 00 02 31 | ...2;1-1-1;1-1-8;1-1-9;2-3-1;..1 |
b0220 | 38 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 39 00 27 | 8.....9;1-1-2;2-1-1;2-1-8;..19.' |
b0240 | 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 | ...1;1-2-1;1-1-2;2-4-1;2-1-2;2-1 |
b0260 | 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 30 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b | -8;2-1-9;..20.....1;1-2-1;1-1-2; |
b0280 | 32 2d 34 2d 31 3b 32 2d 32 2d 32 3b 00 02 32 31 00 15 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 32 | 2-4-1;2-2-2;..21.....1;1-4-1;2-2 |
b02a0 | 2d 31 3b 32 2d 32 2d 32 3b 00 02 32 32 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b | -1;2-2-2;..22.....1;1-1-1;2-3-1; |
b02c0 | 00 02 32 33 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 32 34 00 1c 00 00 00 | ..23.....1;1-1-1;2-3-1;..24..... |
b02e0 | 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 32 2d 31 34 3b 00 02 32 35 00 | 2;1-1-1;1-1-2;2-2-1;2-2-14;..25. |
b0300 | 16 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 32 2d 31 34 3b 32 2d 31 2d 31 3b 00 02 32 36 00 17 00 | ....2;1-1-2;1-2-14;2-1-1;..26... |
b0320 | 00 00 31 34 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 34 3b 00 02 32 37 00 17 00 00 | ..14;1-1-2;2-1-2;2-1-14;..27.... |
b0340 | 00 31 34 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 34 3b 00 00 00 02 73 6d 69 6c 65 | .14;1-1-2;2-1-2;2-1-14;....smile |
b0360 | 73 00 34 00 00 00 4e 23 43 43 28 63 31 63 63 63 63 28 63 31 29 4f 63 31 63 63 63 63 63 31 29 4f | s.4...N#CC(c1cccc(c1)Oc1ccccc1)O |
b0380 | 43 28 3d 4f 29 43 31 43 28 43 31 28 43 29 43 29 43 3d 43 28 42 72 29 42 72 00 09 75 70 64 61 74 | C(=O)C1C(C1(C)C)C=C(Br)Br..updat |
b03a0 | 65 64 5f 61 74 00 83 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 6a 80 7d 46 50 01 | ed_at...}FP....created_at.j.}FP. |
b03c0 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
b03e0 | 02 69 6e 63 68 69 00 81 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 32 48 31 39 42 72 32 4e 4f 33 | .inchi.....InChI=1S/C22H19Br2NO3 |
b0400 | 2f 63 31 2d 32 32 28 32 29 31 37 28 31 32 2d 31 39 28 32 33 29 32 34 29 32 30 28 32 32 29 32 31 | /c1-22(2)17(12-19(23)24)20(22)21 |
b0420 | 28 32 36 29 32 38 2d 31 38 28 31 33 2d 32 35 29 31 34 2d 37 2d 36 2d 31 30 2d 31 36 28 31 31 2d | (26)28-18(13-25)14-7-6-10-16(11- |
b0440 | 31 34 29 32 37 2d 31 35 2d 38 2d 34 2d 33 2d 35 2d 39 2d 31 35 2f 68 33 2d 31 32 2c 31 37 2d 31 | 14)27-15-8-4-3-5-9-15/h3-12,17-1 |
b0460 | 38 2c 32 30 48 2c 31 2d 32 48 33 00 00 b7 03 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 | 8,20H,1-2H3......._id.V.$9+r.0.. |
b0480 | 01 07 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a0 | ...warnings.......fingerprints.. |
b04a0 | 02 00 00 04 4d 50 32 44 00 95 02 00 00 02 30 00 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b 32 2d 32 | ....MP2D......0.....16;1-1-3;2-2 |
b04c0 | 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 36 3b 32 2d 32 2d 33 3b | -3;..1.....3;1-2-3;1-1-16;2-2-3; |
b04e0 | 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 33 | ..2.....3;1-2-3;2-2-3;2-1-16;..3 |
b0500 | 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 1b 00 00 | .....3;1-2-3;2-1-1;2-2-3;..4.... |
b0520 | 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 00 15 | .3;1-1-1;1-2-3;2-4-3;2-1-8;..5.. |
b0540 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 16 00 00 00 33 | ...3;1-2-3;2-1-1;2-2-3;..6.....3 |
b0560 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 37 00 15 00 00 00 31 3b 31 2d | ;1-2-3;2-2-3;2-1-16;..7.....1;1- |
b0580 | 33 2d 33 3b 31 2d 31 2d 38 3b 32 2d 36 2d 33 3b 00 02 38 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b | 3-3;1-1-8;2-6-3;..8."...3;1-1-1; |
b05a0 | 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 35 3b 00 02 39 00 15 00 00 | 1-2-3;2-4-3;2-1-8;2-1-15;..9.... |
b05c0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 0f 00 00 00 33 3b | .3;1-2-3;2-1-1;2-2-3;..10.....3; |
b05e0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 1-2-3;2-2-3;..11.....3;1-2-3;2-2 |
b0600 | 2d 33 3b 00 02 31 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 | -3;..12.....3;1-2-3;2-2-3;2-1-15 |
b0620 | 3b 00 02 31 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 | ;..13.....3;1-2-3;1-1-15;2-1-1;2 |
b0640 | 2d 32 2d 33 3b 00 02 31 34 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | -2-3;..14.....15;1-1-3;2-2-3;..1 |
b0660 | 35 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b | 5."...3;1-1-1;1-2-3;2-2-3;2-1-8; |
b0680 | 32 2d 32 2d 31 31 3b 00 02 31 36 00 1c 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 | 2-2-11;..16.....3;1-1-3;1-1-11;2 |
b06a0 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 37 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 | -1-1;2-2-3;..17.....11;1-2-3;2-1 |
b06c0 | 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 38 00 10 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d | -3;2-1-11;..18.....3;1-2-11;2-2- |
b06e0 | 33 3b 00 02 31 39 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 | 3;..19.....11;1-2-3;2-1-3;2-1-11 |
b0700 | 3b 00 02 32 30 00 1c 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 | ;..20.....3;1-1-3;1-1-11;2-1-1;2 |
b0720 | 2d 32 2d 33 3b 00 02 32 31 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 00 00 02 | -2-3;..21.....8;1-1-1;2-3-3;.... |
b0740 | 73 6d 69 6c 65 73 00 24 00 00 00 46 63 31 63 63 63 28 63 63 31 29 43 28 63 31 63 63 63 63 63 31 | smiles.$...Fc1ccc(cc1)C(c1ccccc1 |
b0760 | 43 6c 29 28 63 31 63 6e 63 6e 63 31 29 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 85 8a 7d 46 50 | Cl)(c1cncnc1)O..updated_at...}FP |
b0780 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 71 80 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.q.}FP....default_ |
b07a0 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 63 00 00 00 | fingerprint_size......inchi.c... |
b07c0 | 49 6e 43 68 49 3d 31 53 2f 43 31 37 48 31 32 43 6c 46 4e 32 4f 2f 63 31 38 2d 31 36 2d 34 2d 32 | InChI=1S/C17H12ClFN2O/c18-16-4-2 |
b07e0 | 2d 31 2d 33 2d 31 35 28 31 36 29 31 37 28 32 32 2c 31 33 2d 39 2d 32 30 2d 31 31 2d 32 31 2d 31 | -1-3-15(16)17(22,13-9-20-11-21-1 |
b0800 | 30 2d 31 33 29 31 32 2d 35 2d 37 2d 31 34 28 31 39 29 38 2d 36 2d 31 32 2f 68 31 2d 31 31 2c 32 | 0-13)12-5-7-14(19)8-6-12/h1-11,2 |
b0820 | 32 48 00 00 fd 03 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 08 04 77 61 72 6e 69 6e | 2H......._id.V.$9+r.0.....warnin |
b0840 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 d0 02 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
b0860 | c5 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 | .....0.....1;1-1-1;2-1-1;..1.... |
b0880 | 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 | .1;1-2-1;2-1-1;..2.....1;1-2-1;2 |
b08a0 | 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 33 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -1-1;2-1-28;..3.....1;1-1-1;1-1- |
b08c0 | 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 00 23 00 00 00 32 38 3b 31 2d 31 2d 31 3b | 28;2-1-1;2-1-2;..4.#...28;1-1-1; |
b08e0 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 35 00 23 00 00 | 1-1-2;2-1-1;2-1-9;2-1-11;..5.#.. |
b0900 | 00 32 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 32 | .2;1-1-9;1-1-11;1-1-28;2-1-1;2-2 |
b0920 | 2d 33 3b 00 02 36 00 17 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 32 38 | -3;..6.....9;1-1-2;2-1-11;2-1-28 |
b0940 | 3b 00 02 37 00 2a 00 00 00 31 31 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | ;..7.*...11;1-1-2;1-2-3;2-2-3;2- |
b0960 | 31 2d 39 3b 32 2d 31 2d 31 31 3b 32 2d 32 2d 32 38 3b 00 02 38 00 1d 00 00 00 33 3b 31 2d 32 2d | 1-9;2-1-11;2-2-28;..8.....3;1-2- |
b0980 | 31 31 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 00 02 39 00 23 00 00 00 32 38 | 11;1-1-28;2-2-2;2-2-3;..9.#...28 |
b09a0 | 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 31 3b | ;1-1-2;1-1-3;2-1-8;2-1-9;2-2-11; |
b09c0 | 00 02 31 30 00 22 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d | ..10."...2;1-1-8;1-1-9;1-1-28;2- |
b09e0 | 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 31 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 | 1-1;2-1-3;..11.....9;1-1-2;2-1-8 |
b0a00 | 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 | ;2-1-28;..12.....8;1-1-1;1-1-2;2 |
b0a20 | 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 | -1-9;2-1-28;..13.....1;1-1-8;2-1 |
b0a40 | 2d 32 3b 00 02 31 34 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | -2;..14.....11;1-2-3;2-2-3;2-1-1 |
b0a60 | 31 3b 32 2d 31 2d 32 38 3b 00 02 31 35 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 | 1;2-1-28;..15.....3;1-2-3;1-1-11 |
b0a80 | 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 36 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | ;2-3-3;2-1-11;..16.#...3;1-2-3;1 |
b0aa0 | 2d 31 2d 31 31 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 37 00 16 00 | -1-11;2-1-2;2-3-3;2-1-11;..17... |
b0ac0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 38 00 0f 00 00 00 | ..3;1-2-3;2-2-3;2-1-11;..18..... |
b0ae0 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-2-3;2-2-3;..19.....3;1-2-3;2 |
b0b00 | 2d 32 2d 33 3b 00 02 32 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | -2-3;..20.....3;1-2-3;2-2-3;2-1- |
b0b20 | 31 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 22 00 00 00 43 43 43 43 4e 43 28 3d 4f 29 6e 31 63 28 | 11;....smiles."...CCCCNC(=O)n1c( |
b0b40 | 4e 43 28 3d 4f 29 4f 43 29 6e 63 32 63 31 63 63 63 63 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 | NC(=O)OC)nc2c1cccc2..updated_at. |
b0b60 | d9 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 78 80 7d 46 50 01 00 00 10 64 65 66 | ..}FP....created_at.x.}FP....def |
b0b80 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
b0ba0 | 00 7b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 38 4e 34 4f 33 2f 63 31 2d 33 2d 34 2d | .{...InChI=1S/C14H18N4O3/c1-3-4- |
b0bc0 | 39 2d 31 35 2d 31 33 28 31 39 29 31 38 2d 31 31 2d 38 2d 36 2d 35 2d 37 2d 31 30 28 31 31 29 31 | 9-15-13(19)18-11-8-6-5-7-10(11)1 |
b0be0 | 36 2d 31 32 28 31 38 29 31 37 2d 31 34 28 32 30 29 32 31 2d 32 2f 68 35 2d 38 48 2c 33 2d 34 2c | 6-12(18)17-14(20)21-2/h5-8H,3-4, |
b0c00 | 39 48 32 2c 31 2d 32 48 33 2c 28 48 2c 31 35 2c 31 39 29 28 48 2c 31 36 2c 31 37 2c 32 30 29 00 | 9H2,1-2H3,(H,15,19)(H,16,17,20). |
b0c20 | 00 38 05 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 09 04 77 61 72 6e 69 6e 67 73 00 | .8...._id.V.$9+r.0.....warnings. |
b0c40 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ee 03 00 00 04 4d 50 32 44 00 e3 03 00 | ......fingerprints......MP2D.... |
b0c60 | 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 31 3b | ..0.....1;1-1-1;2-1-8;..1.....1; |
b0c80 | 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 32 00 1b 00 00 00 38 3b 31 2d 31 2d | 1-1-1;1-1-8;2-1-2;..2.....8;1-1- |
b0ca0 | 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 21 00 00 00 32 3b 31 2d | 1;1-1-2;2-2-1;2-1-9;..3.!...2;1- |
b0cc0 | 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 00 | 1-1;1-1-8;1-1-9;2-1-1;2-1-8;..4. |
b0ce0 | 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 21 00 00 00 | ....9;1-1-2;2-1-1;2-1-8;..5.!... |
b0d00 | 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b | 1;1-1-2;1-1-8;2-1-2;2-1-8;2-1-9; |
b0d20 | 00 02 36 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d | ..6.!...8;1-1-1;1-1-2;2-1-2;2-1- |
b0d40 | 33 3b 32 2d 31 2d 39 3b 00 02 37 00 21 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d | 3;2-1-9;..7.!...2;1-1-3;1-1-8;1- |
b0d60 | 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b | 1-9;2-1-1;2-2-3;..8.....9;1-1-2; |
b0d80 | 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d | 2-1-3;2-1-8;..9.(...3;1-1-2;1-2- |
b0da0 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 | 3;2-2-3;2-1-8;2-1-9;2-1-19;..10. |
b0dc0 | 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 | ....3;1-2-3;2-1-2;2-2-3;2-1-8;.. |
b0de0 | 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 31 32 00 | 11.....3;1-2-3;1-1-8;2-3-3;..12. |
b0e00 | 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 33 00 16 00 00 | ....3;1-2-3;2-2-3;2-1-8;..13.... |
b0e20 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 34 00 29 00 00 00 33 | .3;1-2-3;2-2-3;2-1-19;..14.)...3 |
b0e40 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b | ;1-2-3;1-1-19;2-1-2;2-2-3;2-1-9; |
b0e60 | 32 2d 31 2d 33 32 3b 00 02 31 35 00 1d 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 | 2-1-32;..15.....19;1-1-3;1-1-9;1 |
b0e80 | 2d 31 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 31 36 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d | -1-32;2-2-3;..16.....9;1-1-19;2- |
b0ea0 | 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 37 00 17 00 00 00 33 32 3b 31 2d 31 2d 31 39 3b 32 2d | 1-3;2-1-32;..17.....32;1-1-19;2- |
b0ec0 | 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 38 00 0f 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 | 1-3;2-1-9;..18.....8;1-2-3;2-4-3 |
b0ee0 | 3b 00 02 31 39 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 32 2d | ;..19.....3;1-2-3;1-1-8;2-3-3;2- |
b0f00 | 31 2d 31 35 3b 00 02 32 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 1-15;..20.....3;1-2-3;2-2-3;2-1- |
b0f20 | 38 3b 00 02 32 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | 8;..21.....3;1-2-3;2-1-1;2-2-3;. |
b0f40 | 02 32 32 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 33 2d | .22.....3;1-1-1;1-2-3;2-2-3;2-3- |
b0f60 | 31 36 3b 00 02 32 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | 16;..23.....3;1-2-3;2-1-1;2-2-3; |
b0f80 | 32 2d 31 2d 31 35 3b 00 02 32 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 | 2-1-15;..24.....3;1-2-3;1-1-15;2 |
b0fa0 | 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 35 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 | -2-3;2-1-8;..25.....15;1-1-3;2-2 |
b0fc0 | 2d 33 3b 00 02 32 36 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 3b 32 2d 32 2d 33 | -3;..26.....1;1-1-3;1-3-16;2-2-3 |
b0fe0 | 3b 00 02 32 37 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b | ;..27.....16;1-1-1;2-1-3;2-2-16; |
b1000 | 00 02 32 38 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 | ..28.....16;1-1-1;2-1-3;2-2-16;. |
b1020 | 02 32 39 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 00 | .29.....16;1-1-1;2-1-3;2-2-16;.. |
b1040 | 00 02 73 6d 69 6c 65 73 00 3b 00 00 00 43 43 4f 43 28 3d 4f 29 43 4f 43 28 3d 4f 29 63 31 63 63 | ..smiles.;...CCOC(=O)COC(=O)c1cc |
b1060 | 28 63 63 63 31 5b 4e 2b 5d 28 3d 4f 29 5b 4f 2d 5d 29 4f 63 31 63 63 63 28 63 63 31 43 6c 29 43 | (ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C |
b1080 | 28 46 29 28 46 29 46 00 09 75 70 64 61 74 65 64 5f 61 74 00 8b 8a 7d 46 50 01 00 00 09 63 72 65 | (F)(F)F..updated_at...}FP....cre |
b10a0 | 61 74 65 64 5f 61 74 00 7f 80 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at...}FP....default_fingerp |
b10c0 | 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 7f 00 00 00 49 6e 43 68 49 3d 31 | rint_size......inchi.....InChI=1 |
b10e0 | 53 2f 43 31 38 48 31 33 43 6c 46 33 4e 4f 37 2f 63 31 2d 32 2d 32 38 2d 31 36 28 32 34 29 39 2d | S/C18H13ClF3NO7/c1-2-28-16(24)9- |
b1100 | 32 39 2d 31 37 28 32 35 29 31 32 2d 38 2d 31 31 28 34 2d 35 2d 31 34 28 31 32 29 32 33 28 32 36 | 29-17(25)12-8-11(4-5-14(12)23(26 |
b1120 | 29 32 37 29 33 30 2d 31 35 2d 36 2d 33 2d 31 30 28 37 2d 31 33 28 31 35 29 31 39 29 31 38 28 32 | )27)30-15-6-3-10(7-13(15)19)18(2 |
b1140 | 30 2c 32 31 29 32 32 2f 68 33 2d 38 48 2c 32 2c 39 48 32 2c 31 48 33 00 00 27 04 00 00 07 5f 69 | 0,21)22/h3-8H,2,9H2,1H3..'...._i |
b1160 | 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 0a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V.$9+r.0.....warnings.......fi |
b1180 | 6e 67 65 72 70 72 69 6e 74 73 00 f7 02 00 00 04 4d 50 32 44 00 ec 02 00 00 02 30 00 0f 00 00 00 | ngerprints......MP2D......0..... |
b11a0 | 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 00 22 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d | 8;1-1-1;2-2-1;..1."...1;1-2-1;1- |
b11c0 | 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 32 00 15 00 00 00 31 | 1-8;2-3-1;2-1-8;2-1-11;..2.....1 |
b11e0 | 3b 31 2d 34 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 00 0f 00 00 00 31 3b 31 2d 31 | ;1-4-1;2-1-1;2-1-8;..3.....1;1-1 |
b1200 | 2d 31 3b 32 2d 33 2d 31 3b 00 02 34 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 | -1;2-3-1;..4.....1;1-1-1;2-3-1;. |
b1220 | 02 35 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 36 00 2f 00 00 00 31 3b 31 | .5.....1;1-1-1;2-3-1;..6./...1;1 |
b1240 | 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d | -1-1;1-1-8;1-1-11;2-1-1;2-2-3;2- |
b1260 | 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 37 00 30 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 1-8;2-1-11;..7.0...11;1-1-1;1-1- |
b1280 | 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 | 3;1-1-11;2-1-1;2-1-3;2-1-8;2-1-1 |
b12a0 | 31 3b 00 02 38 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 | 1;..8.....3;1-2-11;2-1-1;2-1-3;2 |
b12c0 | 2d 31 2d 31 31 3b 00 02 39 00 11 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 | -1-11;..9.....11;1-2-3;2-2-11;.. |
b12e0 | 31 30 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 | 10.....3;1-2-11;2-1-3;2-1-11;..1 |
b1300 | 31 00 24 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d | 1.$...11;1-1-3;1-1-11;2-1-1;2-1- |
b1320 | 33 3b 32 2d 31 2d 31 31 3b 00 02 31 32 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b | 3;2-1-11;..12."...8;1-1-1;1-1-3; |
b1340 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 33 00 1b 00 00 00 33 3b 31 2d | 2-1-1;2-2-3;2-1-11;..13.....3;1- |
b1360 | 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 34 00 15 00 00 00 33 | 2-3;1-1-8;2-1-1;2-2-3;..14.....3 |
b1380 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d | ;1-2-3;2-2-3;2-1-8;..15.....3;1- |
b13a0 | 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 36 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 | 2-3;2-3-3;..16.....3;1-3-3;2-4-3 |
b13c0 | 3b 00 02 31 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 38 00 15 00 00 | ;..17.....3;1-2-3;2-3-3;..18.... |
b13e0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 39 00 0f 00 00 00 33 3b | .3;1-2-3;2-2-3;2-1-8;..19.....3; |
b1400 | 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 32 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 | 1-3-3;2-4-3;..20.....3;1-2-3;2-3 |
b1420 | 2d 33 3b 00 02 32 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 32 00 0f | -3;..21.....3;1-2-3;2-2-3;..22.. |
b1440 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 33 00 0f 00 00 00 33 3b 31 2d 32 2d | ...3;1-2-3;2-2-3;..23.....3;1-2- |
b1460 | 33 3b 32 2d 32 2d 33 3b 00 02 32 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 | 3;2-2-3;..24.....3;1-2-3;2-3-3;. |
b1480 | 00 00 02 73 6d 69 6c 65 73 00 2a 00 00 00 4f 43 28 43 28 43 29 28 43 29 43 29 43 28 6e 31 63 6e | ...smiles.*...OC(C(C)(C)C)C(n1cn |
b14a0 | 63 6e 31 29 4f 63 31 63 63 63 28 63 63 31 29 63 31 63 63 63 63 63 31 00 09 75 70 64 61 74 65 64 | cn1)Oc1ccc(cc1)c1ccccc1..updated |
b14c0 | 5f 61 74 00 8d 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 86 80 7d 46 50 01 00 00 | _at...}FP....created_at...}FP... |
b14e0 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 | .default_fingerprint_size......i |
b1500 | 6e 63 68 69 00 76 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 30 48 32 33 4e 33 4f 32 2f 63 31 2d | nchi.v...InChI=1S/C20H23N3O2/c1- |
b1520 | 32 30 28 32 2c 33 29 31 38 28 32 34 29 31 39 28 32 33 2d 31 34 2d 32 31 2d 31 33 2d 32 32 2d 32 | 20(2,3)18(24)19(23-14-21-13-22-2 |
b1540 | 33 29 32 35 2d 31 37 2d 31 31 2d 39 2d 31 36 28 31 30 2d 31 32 2d 31 37 29 31 35 2d 37 2d 35 2d | 3)25-17-11-9-16(10-12-17)15-7-5- |
b1560 | 34 2d 36 2d 38 2d 31 35 2f 68 34 2d 31 34 2c 31 38 2d 31 39 2c 32 34 48 2c 31 2d 33 48 33 00 00 | 4-6-8-15/h4-14,18-19,24H,1-3H3.. |
b1580 | d6 02 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 0b 04 77 61 72 6e 69 6e 67 73 00 05 | ....._id.V.$9+r.0.....warnings.. |
b15a0 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 dd 01 00 00 04 4d 50 32 44 00 d2 01 00 00 | .....fingerprints......MP2D..... |
b15c0 | 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 00 16 00 00 00 31 3b | .0.....1;1-1-1;2-1-28;..1.....1; |
b15e0 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 00 02 32 00 23 00 00 00 32 38 3b 31 2d | 1-1-1;1-1-28;2-1-2;..2.#...28;1- |
b1600 | 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 33 | 1-1;1-1-2;2-1-1;2-1-9;2-1-28;..3 |
b1620 | 00 1c 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 32 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b | .....2;1-1-9;1-2-28;2-1-1;2-1-2; |
b1640 | 00 02 34 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 35 00 1d 00 00 00 32 | ..4.....9;1-1-2;2-2-28;..5.....2 |
b1660 | 38 3b 31 2d 32 2d 32 3b 32 2d 31 2d 32 3b 32 2d 32 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 36 00 28 | 8;1-2-2;2-1-2;2-2-9;2-1-28;..6.( |
b1680 | 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d | ...2;1-1-2;1-1-9;1-1-28;2-1-2;2- |
b16a0 | 31 2d 34 3b 32 2d 31 2d 36 3b 00 02 37 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b | 1-4;2-1-6;..7.....9;1-1-2;2-1-2; |
b16c0 | 32 2d 31 2d 32 38 3b 00 02 38 00 28 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 34 3b 31 2d 31 | 2-1-28;..8.(...2;1-1-2;1-1-4;1-1 |
b16e0 | 2d 36 3b 32 2d 31 2d 37 3b 32 2d 32 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 39 00 21 00 00 00 36 3b | -6;2-1-7;2-2-9;2-1-28;..9.!...6; |
b1700 | 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 34 3b 00 02 | 1-1-2;1-1-9;2-1-1;2-1-2;2-1-4;.. |
b1720 | 31 30 00 15 00 00 00 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 00 02 31 31 00 | 10.....9;1-1-1;1-1-6;2-1-2;..11. |
b1740 | 0f 00 00 00 31 3b 31 2d 31 2d 39 3b 32 2d 31 2d 36 3b 00 02 31 32 00 1b 00 00 00 34 3b 31 2d 31 | ....1;1-1-9;2-1-6;..12.....4;1-1 |
b1760 | 2d 32 3b 31 2d 31 2d 37 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 31 33 00 0f 00 00 00 37 3b | -2;1-1-7;2-1-2;2-1-6;..13.....7; |
b1780 | 31 2d 31 2d 34 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 43 43 4e 43 28 | 1-1-4;2-1-2;....smiles.....CCNC( |
b17a0 | 3d 4f 29 4e 43 28 3d 4f 29 43 28 3d 4e 4f 43 29 43 23 4e 00 09 75 70 64 61 74 65 64 5f 61 74 00 | =O)NC(=O)C(=NOC)C#N..updated_at. |
b17c0 | 90 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 8c 80 7d 46 50 01 00 00 10 64 65 66 | ..}FP....created_at...}FP....def |
b17e0 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
b1800 | 00 50 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 31 30 4e 34 4f 33 2f 63 31 2d 33 2d 39 2d 37 | .P...InChI=1S/C7H10N4O3/c1-3-9-7 |
b1820 | 28 31 33 29 31 30 2d 36 28 31 32 29 35 28 34 2d 38 29 31 31 2d 31 34 2d 32 2f 68 33 48 32 2c 31 | (13)10-6(12)5(4-8)11-14-2/h3H2,1 |
b1840 | 2d 32 48 33 2c 28 48 32 2c 39 2c 31 30 2c 31 32 2c 31 33 29 00 00 2e 04 00 00 07 5f 69 64 00 56 | -2H3,(H2,9,10,12,13)......._id.V |
b1860 | 16 24 39 2b 72 ed 30 fb 00 01 0c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | .$9+r.0.....warnings.......finge |
b1880 | 72 70 72 69 6e 74 73 00 04 03 00 00 04 4d 50 32 44 00 f9 02 00 00 02 30 00 0f 00 00 00 31 3b 31 | rprints......MP2D......0.....1;1 |
b18a0 | 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 | -1-1;2-1-8;..1.....1;1-1-1;1-1-8 |
b18c0 | 3b 32 2d 31 2d 33 3b 00 02 32 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 | ;2-1-3;..2.....8;1-1-1;1-1-3;2-1 |
b18e0 | 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 | -1;2-2-3;..3."...3;1-2-3;1-1-8;2 |
b1900 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d | -1-1;2-2-3;2-1-19;..4.....3;1-2- |
b1920 | 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 3;2-2-3;2-2-8;..5.....3;1-2-3;1- |
b1940 | 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | 1-8;2-3-3;..6.....3;1-2-3;2-2-3; |
b1960 | 32 2d 31 2d 38 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 2-1-8;..7.....3;1-2-3;2-2-3;2-1- |
b1980 | 31 39 3b 00 02 38 00 29 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b | 19;..8.)...3;1-2-3;1-1-19;2-2-3; |
b19a0 | 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 33 32 3b 00 02 39 00 1d 00 00 00 31 39 3b 31 2d | 2-1-8;2-1-9;2-1-32;..9.....19;1- |
b19c0 | 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 31 30 00 17 00 00 00 | 1-3;1-1-9;1-1-32;2-2-3;..10..... |
b19e0 | 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 31 00 17 00 00 00 33 | 9;1-1-19;2-1-3;2-1-32;..11.....3 |
b1a00 | 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 32 00 0f 00 00 00 38 3b | 2;1-1-19;2-1-3;2-1-9;..12.....8; |
b1a20 | 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | 1-2-3;2-4-3;..13.....3;1-2-3;1-1 |
b1a40 | 2d 38 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 | -8;2-3-3;2-1-15;..14.....3;1-2-3 |
b1a60 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-3;2-1-8;..15.....3;1-2-3;2- |
b1a80 | 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 36 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 | 1-1;2-2-3;..16.....3;1-1-1;1-2-3 |
b1aa0 | 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 31 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | ;2-2-3;2-3-16;..17.....3;1-2-3;2 |
b1ac0 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 38 00 1c 00 00 00 33 3b 31 2d 32 | -1-1;2-2-3;2-1-15;..18.....3;1-2 |
b1ae0 | 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 39 00 10 00 00 00 31 | -3;1-1-15;2-2-3;2-1-8;..19.....1 |
b1b00 | 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 30 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 | 5;1-1-3;2-2-3;..20.....1;1-1-3;1 |
b1b20 | 2d 33 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 32 31 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d | -3-16;2-2-3;..21.....16;1-1-1;2- |
b1b40 | 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 32 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 | 1-3;2-2-16;..22.....16;1-1-1;2-1 |
b1b60 | 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 33 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d | -3;2-2-16;..23.....16;1-1-1;2-1- |
b1b80 | 33 3b 32 2d 32 2d 31 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 2f 00 00 00 43 43 4f 63 31 63 63 28 | 3;2-2-16;....smiles./...CCOc1cc( |
b1ba0 | 63 63 63 31 5b 4e 2b 5d 28 3d 4f 29 5b 4f 2d 5d 29 4f 63 31 63 63 63 28 63 63 31 43 6c 29 43 28 | ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C( |
b1bc0 | 46 29 28 46 29 46 00 09 75 70 64 61 74 65 64 5f 61 74 00 92 8a 7d 46 50 01 00 00 09 63 72 65 61 | F)(F)F..updated_at...}FP....crea |
b1be0 | 74 65 64 5f 61 74 00 93 80 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at...}FP....default_fingerpr |
b1c00 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 6b 00 00 00 49 6e 43 68 49 3d 31 53 | int_size......inchi.k...InChI=1S |
b1c20 | 2f 43 31 35 48 31 31 43 6c 46 33 4e 4f 34 2f 63 31 2d 32 2d 32 33 2d 31 34 2d 38 2d 31 30 28 34 | /C15H11ClF3NO4/c1-2-23-14-8-10(4 |
b1c40 | 2d 35 2d 31 32 28 31 34 29 32 30 28 32 31 29 32 32 29 32 34 2d 31 33 2d 36 2d 33 2d 39 28 37 2d | -5-12(14)20(21)22)24-13-6-3-9(7- |
b1c60 | 31 31 28 31 33 29 31 36 29 31 35 28 31 37 2c 31 38 29 31 39 2f 68 33 2d 38 48 2c 32 48 32 2c 31 | 11(13)16)15(17,18)19/h3-8H,2H2,1 |
b1c80 | 48 33 00 00 b2 02 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 0d 04 77 61 72 6e 69 6e | H3......._id.V.$9+r.0.....warnin |
b1ca0 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c7 01 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
b1cc0 | bc 01 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 16 00 00 | .....0.....8;1-1-1;2-1-1;..1.... |
b1ce0 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 32 00 1c 00 00 00 31 3b | .1;1-1-1;1-1-8;2-1-11;..2.....1; |
b1d00 | 31 2d 31 2d 31 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 00 2a 00 00 | 1-1-1;1-1-11;2-2-3;2-1-8;..3.*.. |
b1d20 | 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d | .11;1-1-1;1-2-3;2-2-1;2-1-3;2-1- |
b1d40 | 31 31 3b 32 2d 31 2d 31 39 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 31 31 | 11;2-1-19;..4.....3;1-1-1;1-2-11 |
b1d60 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 10 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 | ;2-1-1;2-2-3;..5.....1;1-1-3;2-2 |
b1d80 | 2d 31 31 3b 00 02 36 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 | -11;..6.....11;1-2-3;2-1-1;2-1-3 |
b1da0 | 3b 32 2d 31 2d 31 31 3b 00 02 37 00 24 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 | ;2-1-11;..7.$...3;1-1-3;1-1-11;2 |
b1dc0 | 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 38 00 37 00 00 00 33 3b 31 2d 31 | -1-3;2-1-11;2-1-19;..8.7...3;1-1 |
b1de0 | 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 | -3;1-1-11;1-1-19;2-1-1;2-1-3;2-1 |
b1e00 | 2d 39 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 33 32 3b 00 02 39 00 24 00 00 00 31 39 3b 31 2d 31 2d | -9;2-1-11;2-1-32;..9.$...19;1-1- |
b1e20 | 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 33 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 30 | 3;1-1-9;1-1-32;2-1-3;2-1-11;..10 |
b1e40 | 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 31 00 | .....9;1-1-19;2-1-3;2-1-32;..11. |
b1e60 | 17 00 00 00 33 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d | ....32;1-1-19;2-1-3;2-1-9;....sm |
b1e80 | 69 6c 65 73 00 1a 00 00 00 4f 43 43 6e 31 63 28 43 29 6e 63 63 31 5b 4e 2b 5d 28 3d 4f 29 5b 4f | iles.....OCCn1c(C)ncc1[N+](=O)[O |
b1ea0 | 2d 5d 00 09 75 70 64 61 74 65 64 5f 61 74 00 95 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | -]..updated_at...}FP....created_ |
b1ec0 | 61 74 00 9a 80 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at...}FP....default_fingerprint_ |
b1ee0 | 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 41 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 | size......inchi.A...InChI=1S/C6H |
b1f00 | 39 4e 33 4f 33 2f 63 31 2d 35 2d 37 2d 34 2d 36 28 39 28 31 31 29 31 32 29 38 28 35 29 32 2d 33 | 9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3 |
b1f20 | 2d 31 30 2f 68 34 2c 31 30 48 2c 32 2d 33 48 32 2c 31 48 33 00 00 23 04 00 00 07 5f 69 64 00 56 | -10/h4,10H,2-3H2,1H3..#...._id.V |
b1f40 | 16 24 39 2b 72 ed 30 fb 00 01 0e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | .$9+r.0.....warnings.......finge |
b1f60 | 72 70 72 69 6e 74 73 00 f4 02 00 00 04 4d 50 32 44 00 e9 02 00 00 02 30 00 0f 00 00 00 34 3b 31 | rprints......MP2D......0.....4;1 |
b1f80 | 2d 31 2d 34 3b 32 2d 31 2d 31 3b 00 02 31 00 15 00 00 00 34 3b 31 2d 31 2d 31 3b 31 2d 31 2d 34 | -1-4;2-1-1;..1.....4;1-1-1;1-1-4 |
b1fa0 | 3b 32 2d 31 2d 38 3b 00 02 32 00 1c 00 00 00 31 3b 31 2d 31 2d 34 3b 31 2d 31 2d 38 3b 32 2d 31 | ;2-1-8;..2.....1;1-1-4;1-1-8;2-1 |
b1fc0 | 2d 34 3b 32 2d 31 2d 32 39 3b 00 02 33 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 39 | -4;2-1-29;..3."...8;1-1-1;1-1-29 |
b1fe0 | 3b 32 2d 31 2d 34 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 34 00 16 00 00 00 32 39 3b 31 2d | ;2-1-4;2-1-8;2-1-9;..4.....29;1- |
b2000 | 32 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 00 02 35 00 10 00 00 00 39 3b 31 2d 31 2d 32 39 | 2-8;1-1-9;2-2-1;..5.....9;1-1-29 |
b2020 | 3b 32 2d 32 2d 38 3b 00 02 36 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 39 3b 32 2d | ;2-2-8;..6."...8;1-1-1;1-1-29;2- |
b2040 | 32 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 37 00 22 00 00 00 31 3b 31 2d 32 2d 31 3b | 2-1;2-1-8;2-1-9;..7."...1;1-2-1; |
b2060 | 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 39 3b 00 02 38 00 15 00 00 | 1-1-8;2-2-1;2-1-8;2-1-29;..8.... |
b2080 | 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 39 00 0f 00 00 00 31 3b 31 | .1;1-2-1;2-2-1;2-1-8;..9.....1;1 |
b20a0 | 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 30 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d | -2-1;2-2-1;..10.....1;1-2-1;2-2- |
b20c0 | 31 3b 00 02 31 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 | 1;..11.....1;1-2-1;2-2-1;2-1-8;. |
b20e0 | 02 31 32 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d | .12.!...1;1-2-1;1-1-8;2-2-1;2-1- |
b2100 | 33 3b 32 2d 31 2d 38 3b 00 02 31 33 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 | 3;2-1-8;..13.....8;1-1-1;1-1-3;2 |
b2120 | 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 34 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | -2-1;2-2-3;..14.....3;1-2-3;1-1- |
b2140 | 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 8;2-1-1;2-2-3;..15.....3;1-2-3;2 |
b2160 | 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | -2-3;2-1-8;..16.....3;1-2-3;2-1- |
b2180 | 31 3b 32 2d 32 2d 33 3b 00 02 31 37 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 | 1;2-2-3;..17.....3;1-1-1;1-2-3;2 |
b21a0 | 2d 33 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | -3-1;2-2-3;..18.....3;1-2-3;2-1- |
b21c0 | 31 3b 32 2d 32 2d 33 3b 00 02 31 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 1;2-2-3;..19.....3;1-2-3;2-2-3;2 |
b21e0 | 2d 31 2d 38 3b 00 02 32 30 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d | -1-8;..20.....1;1-3-1;1-1-3;2-2- |
b2200 | 33 3b 00 02 32 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 | 3;..21.....1;1-1-1;2-2-1;2-1-3;. |
b2220 | 02 32 32 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 33 | .22.....1;1-1-1;2-2-1;2-1-3;..23 |
b2240 | 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 | .....1;1-1-1;2-2-1;2-1-3;....smi |
b2260 | 6c 65 73 00 27 00 00 00 43 23 43 43 4f 53 28 3d 4f 29 4f 43 31 43 43 43 43 43 31 4f 63 31 63 63 | les.'...C#CCOS(=O)OC1CCCCC1Oc1cc |
b2280 | 63 28 63 63 31 29 43 28 43 29 28 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 d6 8b 7d 46 50 | c(cc1)C(C)(C)C..updated_at...}FP |
b22a0 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a5 80 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at...}FP....default_ |
b22c0 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 78 00 00 00 | fingerprint_size......inchi.x... |
b22e0 | 49 6e 43 68 49 3d 31 53 2f 43 31 39 48 32 36 4f 34 53 2f 63 31 2d 35 2d 31 34 2d 32 31 2d 32 34 | InChI=1S/C19H26O4S/c1-5-14-21-24 |
b2300 | 28 32 30 29 32 33 2d 31 38 2d 39 2d 37 2d 36 2d 38 2d 31 37 28 31 38 29 32 32 2d 31 36 2d 31 32 | (20)23-18-9-7-6-8-17(18)22-16-12 |
b2320 | 2d 31 30 2d 31 35 28 31 31 2d 31 33 2d 31 36 29 31 39 28 32 2c 33 29 34 2f 68 31 2c 31 30 2d 31 | -10-15(11-13-16)19(2,3)4/h1,10-1 |
b2340 | 33 2c 31 37 2d 31 38 48 2c 36 2d 39 2c 31 34 48 32 2c 32 2d 34 48 33 00 00 c1 03 00 00 07 5f 69 | 3,17-18H,6-9,14H2,2-4H3......._i |
b2360 | 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 0f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V.$9+r.0.....warnings.......fi |
b2380 | 6e 67 65 72 70 72 69 6e 74 73 00 a2 02 00 00 04 4d 50 32 44 00 97 02 00 00 02 30 00 0f 00 00 00 | ngerprints......MP2D......0..... |
b23a0 | 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d | 1;1-1-1;2-1-1;..1.....1;1-2-1;2- |
b23c0 | 31 2d 31 3b 00 02 32 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 00 1b 00 | 1-1;..2.....1;1-2-1;2-2-1;..3... |
b23e0 | 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 | ..1;1-2-1;2-2-1;2-1-3;2-1-8;..4. |
b2400 | 28 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d | (...1;1-2-1;1-1-3;1-1-8;2-1-1;2- |
b2420 | 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 35 00 28 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 | 2-3;2-1-11;..5.(...3;1-1-1;1-2-3 |
b2440 | 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 35 3b 00 02 36 00 15 00 | ;2-2-1;2-2-3;2-1-8;2-1-15;..6... |
b2460 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 16 00 00 00 33 3b | ..3;1-2-3;2-1-1;2-2-3;..7.....3; |
b2480 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 | 1-2-3;2-2-3;2-1-15;..8.....3;1-2 |
b24a0 | 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;1-1-15;2-2-3;..9.....3;1-2-3; |
b24c0 | 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 2-2-3;2-2-15;..10.....3;1-2-3;1- |
b24e0 | 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 10 00 00 00 31 35 3b 31 2d 31 | 1-15;2-1-1;2-2-3;..11.....15;1-1 |
b2500 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | -3;2-2-3;..12.....15;1-1-3;2-2-3 |
b2520 | 3b 00 02 31 33 00 29 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 | ;..13.)...1;1-1-1;1-1-11;2-1-1;2 |
b2540 | 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 31 34 00 2a 00 00 00 31 31 3b 31 2d | -2-3;2-1-8;2-1-11;..14.*...11;1- |
b2560 | 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 | 1-1;1-1-3;1-1-11;2-1-1;2-1-3;2-1 |
b2580 | 2d 31 31 3b 00 02 31 35 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d | -11;..15.....3;1-2-11;2-1-1;2-1- |
b25a0 | 33 3b 32 2d 31 2d 31 31 3b 00 02 31 36 00 11 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 | 3;2-1-11;..16.....11;1-2-3;2-2-1 |
b25c0 | 31 3b 00 02 31 37 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 | 1;..17.....3;1-2-11;2-1-3;2-1-11 |
b25e0 | 3b 00 02 31 38 00 24 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b | ;..18.$...11;1-1-3;1-1-11;2-1-1; |
b2600 | 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 39 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d | 2-1-3;2-1-11;..19.....8;1-1-1;2- |
b2620 | 32 2d 31 3b 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 21 00 00 00 43 43 43 43 43 28 63 | 2-1;2-1-3;....smiles.!...CCCCC(c |
b2640 | 31 63 63 63 28 63 63 31 43 6c 29 43 6c 29 28 43 6e 31 63 6e 63 6e 31 29 4f 00 09 75 70 64 61 74 | 1ccc(cc1Cl)Cl)(Cn1cncn1)O..updat |
b2660 | 65 64 5f 61 74 00 9a 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ab 80 7d 46 50 01 | ed_at...}FP....created_at...}FP. |
b2680 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
b26a0 | 02 69 6e 63 68 69 00 6e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 37 43 6c 32 4e 33 4f | .inchi.n...InChI=1S/C14H17Cl2N3O |
b26c0 | 2f 63 31 2d 32 2d 33 2d 36 2d 31 34 28 32 30 2c 38 2d 31 39 2d 31 30 2d 31 37 2d 39 2d 31 38 2d | /c1-2-3-6-14(20,8-19-10-17-9-18- |
b26e0 | 31 39 29 31 32 2d 35 2d 34 2d 31 31 28 31 35 29 37 2d 31 33 28 31 32 29 31 36 2f 68 34 2d 35 2c | 19)12-5-4-11(15)7-13(12)16/h4-5, |
b2700 | 37 2c 39 2d 31 30 2c 32 30 48 2c 32 2d 33 2c 36 2c 38 48 32 2c 31 48 33 00 00 ea 03 00 00 07 5f | 7,9-10,20H,2-3,6,8H2,1H3......._ |
b2720 | 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 10 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V.$9+r.0.....warnings.......f |
b2740 | 69 6e 67 65 72 70 72 69 6e 74 73 00 cc 02 00 00 04 4d 50 32 44 00 c1 02 00 00 02 30 00 10 00 00 | ingerprints......MP2D......0.... |
b2760 | 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | .15;1-1-3;2-2-3;..1.....3;1-2-3; |
b2780 | 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 1-1-15;2-2-3;..2.....3;1-2-3;2-2 |
b27a0 | 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b | -3;2-1-15;..3.....3;1-2-3;2-1-2; |
b27c0 | 32 2d 32 2d 33 3b 00 02 34 00 22 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 2-2-3;..4."...3;1-1-2;1-2-3;2-1- |
b27e0 | 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 2;2-2-3;2-1-15;..5.....3;1-2-3;1 |
b2800 | 2d 31 2d 31 35 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d | -1-15;2-1-2;2-2-3;..6.....3;1-2- |
b2820 | 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 37 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b | 3;2-2-3;2-2-15;..7.....15;1-1-3; |
b2840 | 32 2d 32 2d 33 3b 00 02 38 00 22 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d | 2-2-3;..8."...2;1-1-2;1-1-3;2-1- |
b2860 | 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 39 00 2f 00 00 00 32 3b 31 2d 31 2d 31 3b 31 | 1;2-2-3;2-1-11;..9./...2;1-1-1;1 |
b2880 | 2d 31 2d 32 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d | -1-2;1-1-11;2-1-1;2-2-3;2-1-8;2- |
b28a0 | 31 2d 31 31 3b 00 02 31 30 00 28 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d | 1-11;..10.(...1;1-1-1;1-1-2;1-1- |
b28c0 | 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 15 00 00 00 31 3b | 8;2-3-1;2-1-2;2-1-11;..11.....1; |
b28e0 | 31 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 32 00 0f 00 00 00 31 3b 31 2d 31 | 1-4-1;2-1-2;2-1-8;..12.....1;1-1 |
b2900 | 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 33 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b | -1;2-3-1;..13.....1;1-1-1;2-3-1; |
b2920 | 00 02 31 34 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 35 00 15 00 00 00 | ..14.....1;1-1-1;2-3-1;..15..... |
b2940 | 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 36 00 30 00 00 00 31 31 3b | 8;1-1-1;2-1-1;2-1-2;..16.0...11; |
b2960 | 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 | 1-1-2;1-1-3;1-1-11;2-1-1;2-1-2;2 |
b2980 | 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 37 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d | -1-3;2-1-11;..17.....3;1-2-11;2- |
b29a0 | 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 38 00 11 00 00 00 31 31 3b 31 2d 32 | 1-2;2-1-3;2-1-11;..18.....11;1-2 |
b29c0 | 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 39 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d | -3;2-2-11;..19.....3;1-2-11;2-1- |
b29e0 | 33 3b 32 2d 31 2d 31 31 3b 00 02 32 30 00 24 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 | 3;2-1-11;..20.$...11;1-1-3;1-1-1 |
b2a00 | 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 | 1;2-1-2;2-1-3;2-1-11;....smiles. |
b2a20 | 29 00 00 00 43 6c 63 31 63 63 63 28 63 28 63 31 29 43 6c 29 43 3d 43 28 43 28 43 28 43 29 28 43 | )...Clc1ccc(c(c1)Cl)C=C(C(C(C)(C |
b2a40 | 29 43 29 4f 29 6e 31 63 6e 63 6e 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 9c 8a 7d 46 50 01 00 | )C)O)n1cncn1..updated_at...}FP.. |
b2a60 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 b2 80 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at...}FP....default_fi |
b2a80 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 65 00 00 00 49 6e | ngerprint_size......inchi.e...In |
b2aa0 | 43 68 49 3d 31 53 2f 43 31 35 48 31 37 43 6c 32 4e 33 4f 2f 63 31 2d 31 35 28 32 2c 33 29 31 34 | ChI=1S/C15H17Cl2N3O/c1-15(2,3)14 |
b2ac0 | 28 32 31 29 31 33 28 32 30 2d 39 2d 31 38 2d 38 2d 31 39 2d 32 30 29 36 2d 31 30 2d 34 2d 35 2d | (21)13(20-9-18-8-19-20)6-10-4-5- |
b2ae0 | 31 31 28 31 36 29 37 2d 31 32 28 31 30 29 31 37 2f 68 34 2d 39 2c 31 34 2c 32 31 48 2c 31 2d 33 | 11(16)7-12(10)17/h4-9,14,21H,1-3 |
b2b00 | 48 33 00 00 94 03 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 11 04 77 61 72 6e 69 6e | H3......._id.V.$9+r.0.....warnin |
b2b20 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 88 02 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
b2b40 | 7d 02 00 00 02 30 00 0f 00 00 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 2d 33 3b 00 02 31 00 1c 00 00 | }....0.....7;1-1-4;2-1-3;..1.... |
b2b60 | 00 34 3b 31 2d 31 2d 33 3b 31 2d 31 2d 37 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 32 00 | .4;1-1-3;1-1-7;2-1-3;2-1-18;..2. |
b2b80 | 2f 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 34 3b 31 2d 31 2d 31 38 3b 32 2d 31 2d 33 3b 32 | /...3;1-1-3;1-1-4;1-1-18;2-1-3;2 |
b2ba0 | 2d 31 2d 34 3b 32 2d 31 2d 37 3b 32 2d 31 2d 31 38 3b 00 02 33 00 16 00 00 00 31 38 3b 31 2d 32 | -1-4;2-1-7;2-1-18;..3.....18;1-2 |
b2bc0 | 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 34 3b 00 02 34 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | -3;2-3-3;2-1-4;..4.#...3;1-2-3;1 |
b2be0 | 2d 31 2d 31 38 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 38 3b 00 02 35 00 23 00 00 | -1-18;2-3-3;2-1-9;2-1-18;..5.#.. |
b2c00 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 38 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d | .3;1-2-3;1-1-18;2-3-3;2-1-9;2-1- |
b2c20 | 31 38 3b 00 02 36 00 16 00 00 00 31 38 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 34 3b | 18;..6.....18;1-2-3;2-3-3;2-1-4; |
b2c40 | 00 02 37 00 2f 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 34 3b 31 2d 31 2d 31 38 3b 32 2d 31 | ..7./...3;1-1-3;1-1-4;1-1-18;2-1 |
b2c60 | 2d 33 3b 32 2d 31 2d 34 3b 32 2d 31 2d 37 3b 32 2d 31 2d 31 38 3b 00 02 38 00 1c 00 00 00 34 3b | -3;2-1-4;2-1-7;2-1-18;..8.....4; |
b2c80 | 31 2d 31 2d 33 3b 31 2d 31 2d 37 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 39 00 0f 00 00 | 1-1-3;1-1-7;2-1-3;2-1-18;..9.... |
b2ca0 | 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 2d 33 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b | .7;1-1-4;2-1-3;..10.....3;1-2-3; |
b2cc0 | 31 2d 31 2d 39 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 31 31 00 0f 00 00 00 39 3b 31 2d | 1-1-9;2-3-3;2-1-18;..11.....9;1- |
b2ce0 | 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 | 1-3;2-2-3;..12.....3;1-3-3;2-4-3 |
b2d00 | 3b 32 2d 31 2d 39 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d | ;2-1-9;..13.....3;1-3-3;2-4-3;2- |
b2d20 | 31 2d 39 3b 00 02 31 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 33 2d 33 | 1-9;..14.....3;1-2-3;1-1-9;2-3-3 |
b2d40 | 3b 32 2d 31 2d 31 38 3b 00 02 31 35 00 0f 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | ;2-1-18;..15.....9;1-1-3;2-2-3;. |
b2d60 | 02 31 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 37 00 0f 00 00 00 33 | .16.....3;1-2-3;2-3-3;..17.....3 |
b2d80 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;1-2-3;2-2-3;..18.....3;1-2-3;2- |
b2da0 | 32 2d 33 3b 00 02 31 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 00 00 02 73 | 2-3;..19.....3;1-2-3;2-3-3;....s |
b2dc0 | 6d 69 6c 65 73 00 26 00 00 00 4e 23 43 63 31 73 63 32 3d 63 28 73 63 31 43 23 4e 29 63 28 3d 4f | miles.&...N#Cc1sc2=c(sc1C#N)c(=O |
b2de0 | 29 63 31 63 28 63 32 3d 4f 29 63 63 63 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 bb 8b 7d 46 | )c1c(c2=O)cccc1..updated_at...}F |
b2e00 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 bd 80 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at...}FP....default |
b2e20 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 56 00 00 | _fingerprint_size......inchi.V.. |
b2e40 | 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 34 4e 32 4f 32 53 32 2f 63 31 35 2d 35 2d 39 2d 31 30 | .InChI=1S/C14H4N2O2S2/c15-5-9-10 |
b2e60 | 28 36 2d 31 36 29 32 30 2d 31 34 2d 31 32 28 31 38 29 38 2d 34 2d 32 2d 31 2d 33 2d 37 28 38 29 | (6-16)20-14-12(18)8-4-2-1-3-7(8) |
b2e80 | 31 31 28 31 37 29 31 33 28 31 34 29 31 39 2d 39 2f 68 31 2d 34 48 00 00 5c 05 00 00 07 5f 69 64 | 11(17)13(14)19-9/h1-4H..\...._id |
b2ea0 | 00 56 16 24 39 2b 72 ed 30 fb 00 01 12 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V.$9+r.0.....warnings.......fin |
b2ec0 | 67 65 72 70 72 69 6e 74 73 00 14 04 00 00 04 4d 50 32 44 00 09 04 00 00 02 30 00 16 00 00 00 31 | gerprints......MP2D......0.....1 |
b2ee0 | 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 00 29 00 00 00 33 3b 31 2d | ;1-1-3;2-1-3;2-1-11;..1.)...3;1- |
b2f00 | 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 | 1-1;1-1-3;1-1-11;2-1-2;2-1-3;2-1 |
b2f20 | 2d 31 31 3b 00 02 32 00 1d 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d | -11;..2.....11;1-1-3;1-1-11;2-2- |
b2f40 | 31 3b 32 2d 32 2d 33 3b 00 02 33 00 23 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 | 1;2-2-3;..3.#...11;1-1-1;1-1-3;1 |
b2f60 | 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 2f 00 00 00 33 3b 31 2d 31 2d | -1-11;2-2-3;2-1-8;..4./...3;1-1- |
b2f80 | 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 | 3;1-1-8;1-1-11;2-1-1;2-1-2;2-2-3 |
b2fa0 | 3b 32 2d 31 2d 31 31 3b 00 02 35 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d | ;2-1-11;..5.(...3;1-1-2;1-2-3;2- |
b2fc0 | 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 31 3b 00 02 36 00 1b 00 00 00 32 | 1-1;2-1-6;2-1-8;2-2-11;..6.....2 |
b2fe0 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 37 00 1b 00 00 | ;1-1-3;1-1-6;2-2-3;2-1-9;..7.... |
b3000 | 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 38 00 1b | .6;1-1-2;1-1-9;2-1-1;2-1-3;..8.. |
b3020 | 00 00 00 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 39 | ...9;1-1-1;1-1-6;2-1-2;2-1-3;..9 |
b3040 | 00 1b 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 | .....1;1-1-3;1-1-9;2-2-3;2-1-6;. |
b3060 | 02 31 30 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | .10.....3;1-1-1;1-2-3;2-2-3;2-1- |
b3080 | 39 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | 9;..11.....3;1-2-3;2-1-1;2-2-3;. |
b30a0 | 02 31 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 33 | .12.....3;1-2-3;2-1-2;2-2-3;..13 |
b30c0 | 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 | .!...3;1-1-2;1-2-3;2-2-3;2-1-8;2 |
b30e0 | 2d 31 2d 39 3b 00 02 31 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d | -1-9;..14.....3;1-2-3;2-1-2;2-2- |
b3100 | 33 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | 3;..15.....3;1-2-3;2-1-1;2-2-3;. |
b3120 | 02 31 36 00 21 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d | .16.!...2;1-1-3;1-1-8;1-1-9;2-1- |
b3140 | 31 3b 32 2d 32 2d 33 3b 00 02 31 37 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 | 1;2-2-3;..17.....9;1-1-2;2-1-3;2 |
b3160 | 2d 31 2d 38 3b 00 02 31 38 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d | -1-8;..18.!...8;1-1-1;1-1-2;2-3- |
b3180 | 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 39 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 31 | 1;2-1-3;2-1-9;..19.....1;1-3-1;1 |
b31a0 | 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 32 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d | -1-8;2-1-2;..20.....1;1-1-1;2-2- |
b31c0 | 31 3b 32 2d 31 2d 38 3b 00 02 32 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 | 1;2-1-8;..21.....1;1-1-1;2-2-1;2 |
b31e0 | 2d 31 2d 38 3b 00 02 32 32 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d | -1-8;..22.....1;1-1-1;2-2-1;2-1- |
b3200 | 38 3b 00 02 32 33 00 16 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b | 8;..23.....8;1-2-3;2-3-3;2-1-11; |
b3220 | 00 02 32 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 32 | ..24.....3;1-2-3;1-1-8;2-3-3;..2 |
b3240 | 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 36 00 0f | 5.....3;1-2-3;2-2-3;2-1-8;..26.. |
b3260 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 37 00 0f 00 00 00 33 3b 31 2d 32 2d | ...3;1-2-3;2-2-3;..27.....3;1-2- |
b3280 | 33 3b 32 2d 32 2d 33 3b 00 02 32 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | 3;2-2-3;..28.....3;1-2-3;2-2-3;. |
b32a0 | 02 32 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 30 | .29.....3;1-2-3;2-2-3;2-1-8;..30 |
b32c0 | 00 17 00 00 00 31 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 00 00 02 73 | .....1;1-1-11;2-1-3;2-1-11;....s |
b32e0 | 6d 69 6c 65 73 00 34 00 00 00 43 63 31 6e 6e 28 63 28 63 31 43 3d 4e 4f 43 63 31 63 63 63 28 63 | miles.4...Cc1nn(c(c1C=NOCc1ccc(c |
b3300 | 63 31 29 43 28 3d 4f 29 4f 43 28 43 29 28 43 29 43 29 4f 63 31 63 63 63 63 63 31 29 43 00 09 75 | c1)C(=O)OC(C)(C)C)Oc1ccccc1)C..u |
b3320 | 70 64 61 74 65 64 5f 61 74 00 a2 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c4 80 | pdated_at...}FP....created_at... |
b3340 | 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | }FP....default_fingerprint_size. |
b3360 | 00 00 00 00 02 69 6e 63 68 69 00 84 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 34 48 32 37 4e 33 | .....inchi.....InChI=1S/C24H27N3 |
b3380 | 4f 34 2f 63 31 2d 31 37 2d 32 31 28 32 32 28 32 37 28 35 29 32 36 2d 31 37 29 33 30 2d 32 30 2d | O4/c1-17-21(22(27(5)26-17)30-20- |
b33a0 | 39 2d 37 2d 36 2d 38 2d 31 30 2d 32 30 29 31 35 2d 32 35 2d 32 39 2d 31 36 2d 31 38 2d 31 31 2d | 9-7-6-8-10-20)15-25-29-16-18-11- |
b33c0 | 31 33 2d 31 39 28 31 34 2d 31 32 2d 31 38 29 32 33 28 32 38 29 33 31 2d 32 34 28 32 2c 33 29 34 | 13-19(14-12-18)23(28)31-24(2,3)4 |
b33e0 | 2f 68 36 2d 31 35 48 2c 31 36 48 32 2c 31 2d 35 48 33 00 00 7c 04 00 00 07 5f 69 64 00 56 16 24 | /h6-15H,16H2,1-5H3..|...._id.V.$ |
b3400 | 39 2b 72 ed 30 fb 00 01 13 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | 9+r.0.....warnings.......fingerp |
b3420 | 72 69 6e 74 73 00 50 03 00 00 04 4d 50 32 44 00 45 03 00 00 02 30 00 0f 00 00 00 39 3b 31 2d 31 | rints.P....MP2D.E....0.....9;1-1 |
b3440 | 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 00 15 00 00 00 32 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 | -2;2-2-3;..1.....2;1-2-3;1-1-9;2 |
b3460 | 2d 34 2d 33 3b 00 02 32 00 22 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 | -4-3;..2."...3;1-1-2;1-2-3;2-3-3 |
b3480 | 3b 32 2d 31 2d 39 3b 32 2d 31 2d 33 30 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-1-9;2-1-30;..3.....3;1-2-3;2- |
b34a0 | 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b | 1-2;2-2-3;..4.....3;1-2-3;2-1-1; |
b34c0 | 32 2d 32 2d 33 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-2-3;..5.....3;1-1-1;1-2-3;2-2- |
b34e0 | 33 3b 32 2d 33 2d 31 36 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 | 3;2-3-16;..6.....3;1-2-3;2-1-1;2 |
b3500 | 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 37 00 28 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | -2-3;2-1-30;..7.(...3;1-2-3;1-1- |
b3520 | 33 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 38 00 1c | 30;2-1-1;2-1-2;2-2-3;2-2-9;..8.. |
b3540 | 00 00 00 33 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 | ...30;1-1-1;1-1-3;1-2-9;2-2-3;.. |
b3560 | 39 00 1c 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 | 9.....9;1-1-30;2-1-1;2-1-3;2-1-9 |
b3580 | 3b 00 02 31 30 00 1c 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 | ;..10.....9;1-1-30;2-1-1;2-1-3;2 |
b35a0 | 2d 31 2d 39 3b 00 02 31 31 00 16 00 00 00 31 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 32 | -1-9;..11.....1;1-1-30;2-1-3;2-2 |
b35c0 | 2d 39 3b 00 02 31 32 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 3b 32 2d 32 2d 33 | -9;..12.....1;1-1-3;1-3-16;2-2-3 |
b35e0 | 3b 00 02 31 33 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b | ;..13.....16;1-1-1;2-1-3;2-2-16; |
b3600 | 00 02 31 34 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 | ..14.....16;1-1-1;2-1-3;2-2-16;. |
b3620 | 02 31 35 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 | .15.....16;1-1-1;2-1-3;2-2-16;.. |
b3640 | 31 36 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 | 16.(...3;1-1-2;1-2-3;2-1-1;2-1-3 |
b3660 | 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 31 37 00 22 00 00 00 33 3b 31 2d 31 2d 33 3b 31 | ;2-2-9;2-1-11;..17."...3;1-1-3;1 |
b3680 | 2d 31 2d 31 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 38 00 16 00 00 | -1-11;2-1-2;2-1-3;2-1-9;..18.... |
b36a0 | 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 00 02 31 39 00 1c 00 00 00 39 | .11;1-1-3;1-1-9;2-2-3;..19.....9 |
b36c0 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 30 00 2e | ;1-1-3;1-1-11;2-1-1;2-2-3;..20.. |
b36e0 | 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 | ...3;1-1-1;1-1-3;1-1-9;2-2-1;2-1 |
b3700 | 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 31 00 21 00 00 00 31 3b 31 2d 32 2d 31 | -2;2-1-3;2-1-11;..21.!...1;1-2-1 |
b3720 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 32 00 15 00 | ;1-1-3;2-2-1;2-1-3;2-1-9;..22... |
b3740 | 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 33 00 15 00 00 00 31 | ..1;1-2-1;2-2-1;2-1-3;..23.....1 |
b3760 | 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 2e 00 | ;1-2-1;2-2-1;2-1-3;....smiles... |
b3780 | 00 00 4f 3d 43 28 63 31 63 63 63 28 63 63 31 53 28 3d 4f 29 28 3d 4f 29 43 29 43 28 46 29 28 46 | ..O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F |
b37a0 | 29 46 29 63 31 63 6e 6f 63 31 43 31 43 43 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 a4 8a 7d 46 | )F)c1cnoc1C1CC1..updated_at...}F |
b37c0 | 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 cb 80 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 | P....created_at...}FP....default |
b37e0 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 6e 00 00 | _fingerprint_size......inchi.n.. |
b3800 | 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 31 32 46 33 4e 4f 34 53 2f 63 31 2d 32 34 28 32 31 2c | .InChI=1S/C15H12F3NO4S/c1-24(21, |
b3820 | 32 32 29 31 32 2d 36 2d 39 28 31 35 28 31 36 2c 31 37 29 31 38 29 34 2d 35 2d 31 30 28 31 32 29 | 22)12-6-9(15(16,17)18)4-5-10(12) |
b3840 | 31 33 28 32 30 29 31 31 2d 37 2d 31 39 2d 32 33 2d 31 34 28 31 31 29 38 2d 32 2d 33 2d 38 2f 68 | 13(20)11-7-19-23-14(11)8-2-3-8/h |
b3860 | 34 2d 38 48 2c 32 2d 33 48 32 2c 31 48 33 00 00 67 03 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed | 4-8H,2-3H2,1H3..g...._id.V.$9+r. |
b3880 | 30 fb 00 01 14 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | 0.....warnings.......fingerprint |
b38a0 | 73 00 70 02 00 00 04 4d 50 32 44 00 65 02 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b | s.p....MP2D.e....0.....1;1-1-28; |
b38c0 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 00 1c 00 00 00 32 38 3b 31 2d 32 2d 31 3b 31 2d 31 | 2-1-1;2-1-2;..1.....28;1-2-1;1-1 |
b38e0 | 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 00 22 00 00 00 32 3b 31 2d 31 2d 38 3b 31 | -2;2-1-8;2-1-9;..2."...2;1-1-8;1 |
b3900 | 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 00 16 00 00 00 | -1-9;1-1-28;2-2-1;2-1-3;..3..... |
b3920 | 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 34 00 29 00 00 00 38 3b 31 | 9;1-1-2;2-1-8;2-1-28;..4.)...8;1 |
b3940 | 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 32 2d | -1-2;1-1-3;2-1-3;2-1-9;2-1-11;2- |
b3960 | 31 2d 32 38 3b 00 02 35 00 28 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 | 1-28;..5.(...3;1-1-3;1-1-8;1-1-1 |
b3980 | 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 24 00 00 00 31 31 3b 31 | 1;2-1-1;2-1-2;2-2-3;..6.$...11;1 |
b39a0 | 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 | -2-3;2-1-3;2-1-8;2-1-11;2-1-19;. |
b39c0 | 02 37 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 | .7.....3;1-2-11;1-1-19;2-2-1;2-2 |
b39e0 | 2d 33 3b 00 02 38 00 24 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b | -3;..8.$...11;1-2-3;2-1-1;2-1-3; |
b3a00 | 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 39 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d | 2-1-11;2-1-19;..9."...3;1-1-1;1- |
b3a20 | 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 22 00 00 00 | 1-3;1-1-11;2-1-1;2-2-3;..10."... |
b3a40 | 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 31 | 3;1-1-1;1-2-3;2-1-1;2-1-8;2-2-11 |
b3a60 | 3b 00 02 31 31 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 16 00 00 | ;..11.....1;1-1-3;2-2-3;..12.... |
b3a80 | 00 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 33 00 17 00 00 00 31 | .1;1-1-3;2-1-3;2-1-11;..13.....1 |
b3aa0 | 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 34 00 16 00 00 00 31 3b | 9;1-2-1;1-1-3;2-2-11;..14.....1; |
b3ac0 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 35 00 16 00 00 00 31 3b 31 2d | 1-1-19;2-1-1;2-1-3;..15.....1;1- |
b3ae0 | 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 36 00 16 00 00 00 31 3b 31 2d 31 2d | 1-19;2-1-1;2-1-3;..16.....1;1-1- |
b3b00 | 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 1f 00 00 00 43 4e | 28;2-1-1;2-1-2;....smiles.....CN |
b3b20 | 28 43 28 3d 4f 29 4f 63 31 6e 63 28 6e 63 28 63 31 43 29 43 29 4e 28 43 29 43 29 43 00 09 75 70 | (C(=O)Oc1nc(nc(c1C)C)N(C)C)C..up |
b3b40 | 64 61 74 65 64 5f 61 74 00 37 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d2 80 7d | dated_at.7.}FP....created_at...} |
b3b60 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
b3b80 | 00 00 00 02 69 6e 63 68 69 00 48 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 31 48 31 38 4e 34 4f | ....inchi.H...InChI=1S/C11H18N4O |
b3ba0 | 32 2f 63 31 2d 37 2d 38 28 32 29 31 32 2d 31 30 28 31 34 28 33 29 34 29 31 33 2d 39 28 37 29 31 | 2/c1-7-8(2)12-10(14(3)4)13-9(7)1 |
b3bc0 | 37 2d 31 31 28 31 36 29 31 35 28 35 29 36 2f 68 31 2d 36 48 33 00 00 3a 02 00 00 07 5f 69 64 00 | 7-11(16)15(5)6/h1-6H3..:...._id. |
b3be0 | 56 16 24 39 2b 72 ed 30 fb 00 01 15 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V.$9+r.0.....warnings.......fing |
b3c00 | 65 72 70 72 69 6e 74 73 00 57 01 00 00 04 4d 50 32 44 00 4c 01 00 00 02 30 00 0f 00 00 00 35 3b | erprints.W....MP2D.L....0.....5; |
b3c20 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 1-1-1;2-1-1;..1.....1;1-1-1;1-1- |
b3c40 | 35 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | 5;2-1-3;2-1-8;..2.!...1;1-1-1;1- |
b3c60 | 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 00 02 33 00 21 00 00 00 33 3b | 1-3;1-1-8;2-2-3;2-1-5;..3.!...3; |
b3c80 | 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 | 1-1-1;1-2-3;2-1-1;2-2-3;2-1-8;.. |
b3ca0 | 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 15 00 | 4.....3;1-2-3;2-1-1;2-2-3;..5... |
b3cc0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 15 00 00 00 33 3b | ..3;1-2-3;2-2-3;2-1-8;..6.....3; |
b3ce0 | 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d | 1-2-3;1-1-8;2-2-3;..7.....3;1-2- |
b3d00 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 3;2-2-3;2-1-8;..8.....3;1-2-3;2- |
b3d20 | 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b | 1-1;2-2-3;..9.....8;1-1-3;2-2-3; |
b3d40 | 00 02 31 30 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 00 00 | ..10.....8;1-1-1;2-1-1;2-1-3;... |
b3d60 | 02 73 6d 69 6c 65 73 00 12 00 00 00 4e 43 43 28 63 31 63 63 63 28 63 63 31 29 4f 29 4f 00 09 75 | .smiles.....NCC(c1ccc(cc1)O)O..u |
b3d80 | 70 64 61 74 65 64 5f 61 74 00 ab 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 db 80 | pdated_at...}FP....created_at... |
b3da0 | 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | }FP....default_fingerprint_size. |
b3dc0 | 00 00 00 00 02 69 6e 63 68 69 00 41 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 31 31 4e 4f 32 | .....inchi.A...InChI=1S/C8H11NO2 |
b3de0 | 2f 63 39 2d 35 2d 38 28 31 31 29 36 2d 31 2d 33 2d 37 28 31 30 29 34 2d 32 2d 36 2f 68 31 2d 34 | /c9-5-8(11)6-1-3-7(10)4-2-6/h1-4 |
b3e00 | 2c 38 2c 31 30 2d 31 31 48 2c 35 2c 39 48 32 00 00 ec 03 00 00 07 5f 69 64 00 56 16 24 39 2b 72 | ,8,10-11H,5,9H2......._id.V.$9+r |
b3e20 | ed 30 fb 00 01 16 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .0.....warnings.......fingerprin |
b3e40 | 74 73 00 db 02 00 00 04 4d 50 32 44 00 d0 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b | ts......MP2D......0.....1;1-1-8; |
b3e60 | 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 | 2-1-1;..1.....8;1-2-1;2-1-2;..2. |
b3e80 | 22 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d | "...1;1-1-2;1-1-8;2-1-1;2-1-9;2- |
b3ea0 | 31 2d 32 38 3b 00 02 33 00 29 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 | 1-28;..3.)...2;1-1-1;1-1-9;1-1-2 |
b3ec0 | 38 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 34 00 16 00 00 00 39 3b 31 | 8;2-1-3;2-1-8;2-1-28;..4.....9;1 |
b3ee0 | 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 35 00 2f 00 00 00 32 38 3b 31 2d 31 | -1-2;2-1-1;2-1-28;..5./...28;1-1 |
b3f00 | 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d | -2;1-1-3;1-1-28;2-2-1;2-1-2;2-2- |
b3f20 | 33 3b 32 2d 31 2d 39 3b 00 02 36 00 29 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 | 3;2-1-9;..6.)...3;1-2-3;1-1-28;2 |
b3f40 | 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 37 00 1c 00 00 00 | -2-1;2-1-2;2-2-3;2-1-28;..7..... |
b3f60 | 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 38 00 0f | 3;1-1-1;1-2-3;2-2-3;2-1-28;..8.. |
b3f80 | 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 | ...1;1-1-3;2-2-3;..9.....3;1-2-3 |
b3fa0 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-1-1;2-2-3;..10.....3;1-2-3;2- |
b3fc0 | 32 2d 33 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | 2-3;..11.....3;1-2-3;2-1-1;2-2-3 |
b3fe0 | 3b 00 02 31 32 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | ;..12.....3;1-1-1;1-2-3;2-2-3;2- |
b4000 | 31 2d 32 38 3b 00 02 31 33 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 | 1-28;..13.....1;1-1-3;2-2-3;..14 |
b4020 | 00 35 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 | .5...28;1-1-1;1-1-2;1-1-28;2-1-1 |
b4040 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 35 00 23 00 | ;2-1-2;2-1-3;2-1-8;2-1-9;..15.#. |
b4060 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 | ..1;1-1-1;1-1-28;2-1-2;2-1-8;2-1 |
b4080 | 2d 32 38 3b 00 02 31 36 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 | -28;..16.....1;1-1-1;1-1-8;2-1-2 |
b40a0 | 3b 32 2d 31 2d 32 38 3b 00 02 31 37 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 | ;2-1-28;..17."...8;1-1-1;1-1-2;2 |
b40c0 | 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 38 00 23 00 00 00 32 3b 31 2d 31 | -1-1;2-1-9;2-1-28;..18.#...2;1-1 |
b40e0 | 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 | -8;1-1-9;1-1-28;2-2-1;2-1-28;..1 |
b4100 | 39 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 | 9.....9;1-1-2;2-1-8;2-1-28;....s |
b4120 | 6d 69 6c 65 73 00 21 00 00 00 43 4f 43 43 28 3d 4f 29 4e 28 63 31 63 28 43 29 63 63 63 63 31 43 | miles.!...COCC(=O)N(c1c(C)cccc1C |
b4140 | 29 4e 31 43 43 4f 43 31 3d 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 ad 8a 7d 46 50 01 00 00 09 | )N1CCOC1=O..updated_at...}FP.... |
b4160 | 63 72 65 61 74 65 64 5f 61 74 00 e1 80 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at...}FP....default_fing |
b4180 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 60 00 00 00 49 6e 43 68 | erprint_size......inchi.`...InCh |
b41a0 | 49 3d 31 53 2f 43 31 34 48 31 38 4e 32 4f 34 2f 63 31 2d 31 30 2d 35 2d 34 2d 36 2d 31 31 28 32 | I=1S/C14H18N2O4/c1-10-5-4-6-11(2 |
b41c0 | 29 31 33 28 31 30 29 31 36 28 31 32 28 31 37 29 39 2d 31 39 2d 33 29 31 35 2d 37 2d 38 2d 32 30 | )13(10)16(12(17)9-19-3)15-7-8-20 |
b41e0 | 2d 31 34 28 31 35 29 31 38 2f 68 34 2d 36 48 2c 37 2d 39 48 32 2c 31 2d 33 48 33 00 00 c2 03 00 | -14(15)18/h4-6H,7-9H2,1-3H3..... |
b4200 | 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 17 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V.$9+r.0.....warnings..... |
b4220 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b2 02 00 00 04 4d 50 32 44 00 a7 02 00 00 02 30 00 | ..fingerprints......MP2D......0. |
b4240 | 10 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 00 02 31 00 16 00 00 00 31 39 3b 31 2d | ....1;1-1-19;2-1-3;..1.....19;1- |
b4260 | 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 2a 00 00 00 33 3b 31 2d 32 2d 33 3b | 1-1;1-1-3;2-2-3;..2.*...3;1-2-3; |
b4280 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 35 | 1-1-19;2-1-1;2-1-3;2-1-11;2-1-15 |
b42a0 | 3b 00 02 33 00 24 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d | ;..3.$...3;1-1-3;1-1-11;2-1-3;2- |
b42c0 | 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 34 00 17 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 | 1-11;2-1-19;..4.....11;1-1-3;1-1 |
b42e0 | 2d 31 31 3b 32 2d 33 2d 33 3b 00 02 35 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | -11;2-3-3;..5.....11;1-2-3;1-1-1 |
b4300 | 31 3b 32 2d 34 2d 33 3b 32 2d 31 2d 39 3b 00 02 36 00 2a 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d | 1;2-4-3;2-1-9;..6.*...3;1-1-3;1- |
b4320 | 31 2d 39 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 35 3b 00 | 1-9;1-1-11;2-2-3;2-1-11;2-1-15;. |
b4340 | 02 37 00 16 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 | .7.....9;1-1-3;2-1-3;2-1-11;..8. |
b4360 | 2a 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 | *...3;1-2-3;1-1-15;2-1-3;2-1-9;2 |
b4380 | 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 39 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d | -1-11;2-1-19;..9.....15;1-1-3;2- |
b43a0 | 32 2d 33 3b 00 02 31 30 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d | 2-3;..10.....3;1-2-3;1-1-11;2-3- |
b43c0 | 33 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | 3;2-1-11;..11.....3;1-2-3;2-2-3; |
b43e0 | 32 2d 31 2d 31 31 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 | 2-1-11;..12.....3;1-2-3;2-2-3;.. |
b4400 | 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 34 00 | 13.....3;1-2-3;2-1-1;2-2-3;..14. |
b4420 | 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 | ....3;1-1-1;1-2-3;2-2-3;2-3-16;. |
b4440 | 02 31 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d | .15.....3;1-2-3;2-1-1;2-2-3;2-1- |
b4460 | 31 31 3b 00 02 31 36 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 3b 32 2d 32 2d 33 | 11;..16.....1;1-1-3;1-3-16;2-2-3 |
b4480 | 3b 00 02 31 37 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b | ;..17.....16;1-1-1;2-1-3;2-2-16; |
b44a0 | 00 02 31 38 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 | ..18.....16;1-1-1;2-1-3;2-2-16;. |
b44c0 | 02 31 39 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 00 | .19.....16;1-1-1;2-1-3;2-2-16;.. |
b44e0 | 00 02 73 6d 69 6c 65 73 00 25 00 00 00 43 4e 63 31 63 6e 6e 28 63 28 3d 4f 29 63 31 43 6c 29 63 | ..smiles.%...CNc1cnn(c(=O)c1Cl)c |
b4500 | 31 63 63 63 63 28 63 31 29 43 28 46 29 28 46 29 46 00 09 75 70 64 61 74 65 64 5f 61 74 00 62 8b | 1cccc(c1)C(F)(F)F..updated_at.b. |
b4520 | 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e8 80 7d 46 50 01 00 00 10 64 65 66 61 75 | }FP....created_at...}FP....defau |
b4540 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 5b | lt_fingerprint_size......inchi.[ |
b4560 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 39 43 6c 46 33 4e 33 4f 2f 63 31 2d 31 37 2d 39 | ...InChI=1S/C12H9ClF3N3O/c1-17-9 |
b4580 | 2d 36 2d 31 38 2d 31 39 28 31 31 28 32 30 29 31 30 28 39 29 31 33 29 38 2d 34 2d 32 2d 33 2d 37 | -6-18-19(11(20)10(9)13)8-4-2-3-7 |
b45a0 | 28 35 2d 38 29 31 32 28 31 34 2c 31 35 29 31 36 2f 68 32 2d 36 2c 31 37 48 2c 31 48 33 00 00 fa | (5-8)12(14,15)16/h2-6,17H,1H3... |
b45c0 | 03 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 18 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V.$9+r.0.....warnings... |
b45e0 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 d5 02 00 00 04 4d 50 32 44 00 ca 02 00 00 02 | ....fingerprints......MP2D...... |
b4600 | 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 16 00 00 00 31 3b 31 2d | 0.....1;1-1-1;2-1-1;..1.....1;1- |
b4620 | 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 32 00 1c 00 00 00 31 3b 31 2d 32 2d 31 | 2-1;2-1-1;2-1-19;..2.....1;1-2-1 |
b4640 | 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 00 1c 00 00 00 31 39 3b 31 | ;1-1-19;2-1-1;2-1-3;..3.....19;1 |
b4660 | 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 23 00 00 00 33 | -1-1;1-1-3;2-2-1;2-2-3;..4.#...3 |
b4680 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 39 | ;1-2-3;1-1-19;2-1-1;2-2-3;2-2-19 |
b46a0 | 3b 00 02 35 00 2a 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d | ;..5.*...3;1-2-3;1-1-19;2-2-3;2- |
b46c0 | 31 2d 39 3b 32 2d 31 2d 31 39 3b 32 2d 31 2d 33 32 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d | 1-9;2-1-19;2-1-32;..6.....3;1-2- |
b46e0 | 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 1b 00 00 00 33 3b 31 | 3;2-1-1;2-2-3;2-1-19;..7.....3;1 |
b4700 | 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 00 1c 00 00 00 33 | -1-1;1-2-3;2-3-1;2-2-3;..8.....3 |
b4720 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 39 00 2a 00 | ;1-2-3;2-1-1;2-2-3;2-1-19;..9.*. |
b4740 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 | ..3;1-2-3;1-1-19;2-2-3;2-1-9;2-1 |
b4760 | 2d 31 39 3b 32 2d 31 2d 33 32 3b 00 02 31 30 00 1d 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 | -19;2-1-32;..10.....19;1-1-3;1-1 |
b4780 | 2d 39 3b 31 2d 31 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 31 31 00 17 00 00 00 39 3b 31 2d 31 2d 31 | -9;1-1-32;2-2-3;..11.....9;1-1-1 |
b47a0 | 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 32 00 17 00 00 00 33 32 3b 31 2d 31 2d 31 | 9;2-1-3;2-1-32;..12.....32;1-1-1 |
b47c0 | 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 33 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 31 | 9;2-1-3;2-1-9;..13.....1;1-3-1;1 |
b47e0 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d | -1-3;2-2-3;..14.....1;1-1-1;2-2- |
b4800 | 31 3b 32 2d 31 2d 33 3b 00 02 31 35 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 | 1;2-1-3;..15.....1;1-1-1;2-2-1;2 |
b4820 | 2d 31 2d 33 3b 00 02 31 36 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d | -1-3;..16.....1;1-1-1;2-2-1;2-1- |
b4840 | 33 3b 00 02 31 37 00 1d 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 33 32 | 3;..17.....19;1-1-3;1-1-9;1-1-32 |
b4860 | 3b 32 2d 32 2d 33 3b 00 02 31 38 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 | ;2-2-3;..18.....9;1-1-19;2-1-3;2 |
b4880 | 2d 31 2d 33 32 3b 00 02 31 39 00 17 00 00 00 33 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 | -1-32;..19.....32;1-1-19;2-1-3;2 |
b48a0 | 2d 31 2d 39 3b 00 02 32 30 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d | -1-9;..20.....1;1-1-1;2-1-1;2-1- |
b48c0 | 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 34 00 00 00 43 43 43 28 4e 63 31 63 28 63 63 28 63 63 | 19;....smiles.4...CCC(Nc1c(cc(cc |
b48e0 | 31 5b 4e 2b 5d 28 3d 4f 29 5b 4f 2d 5d 29 43 28 43 29 28 43 29 43 29 5b 4e 2b 5d 28 3d 4f 29 5b | 1[N+](=O)[O-])C(C)(C)C)[N+](=O)[ |
b4900 | 4f 2d 5d 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 b2 8a 7d 46 50 01 00 00 09 63 72 65 61 74 | O-])C..updated_at...}FP....creat |
b4920 | 65 64 5f 61 74 00 ef 80 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at...}FP....default_fingerpri |
b4940 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 61 00 00 00 49 6e 43 68 49 3d 31 53 2f | nt_size......inchi.a...InChI=1S/ |
b4960 | 43 31 34 48 32 31 4e 33 4f 34 2f 63 31 2d 36 2d 39 28 32 29 31 35 2d 31 33 2d 31 31 28 31 36 28 | C14H21N3O4/c1-6-9(2)15-13-11(16( |
b4980 | 31 38 29 31 39 29 37 2d 31 30 28 31 34 28 33 2c 34 29 35 29 38 2d 31 32 28 31 33 29 31 37 28 32 | 18)19)7-10(14(3,4)5)8-12(13)17(2 |
b49a0 | 30 29 32 31 2f 68 37 2d 39 2c 31 35 48 2c 36 48 32 2c 31 2d 35 48 33 00 00 60 03 00 00 07 5f 69 | 0)21/h7-9,15H,6H2,1-5H3..`...._i |
b49c0 | 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 19 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V.$9+r.0.....warnings.......fi |
b49e0 | 6e 67 65 72 70 72 69 6e 74 73 00 57 02 00 00 04 4d 50 32 44 00 4c 02 00 00 02 30 00 10 00 00 00 | ngerprints.W....MP2D.L....0..... |
b4a00 | 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 15;1-1-3;2-2-3;..1.....3;1-2-3;1 |
b4a20 | 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -1-15;2-2-3;..2.....3;1-2-3;2-2- |
b4a40 | 33 3b 32 2d 31 2d 31 35 3b 00 02 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 3;2-1-15;..3.....3;1-2-3;2-2-3;2 |
b4a60 | 2d 31 2d 33 30 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 33 30 3b 32 2d 33 | -1-30;..4.....3;1-2-3;1-1-30;2-3 |
b4a80 | 2d 33 3b 32 2d 32 2d 39 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | -3;2-2-9;..5.....3;1-2-3;2-2-3;2 |
b4aa0 | 2d 31 2d 33 30 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | -1-30;..6.....3;1-2-3;2-2-3;2-1- |
b4ac0 | 31 35 3b 00 02 37 00 16 00 00 00 33 30 3b 31 2d 32 2d 33 3b 31 2d 32 2d 39 3b 32 2d 34 2d 33 3b | 15;..7.....30;1-2-3;1-2-9;2-4-3; |
b4ae0 | 00 02 38 00 16 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 39 | ..8.....9;1-1-30;2-2-3;2-1-9;..9 |
b4b00 | 00 16 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 30 00 23 | .....9;1-1-30;2-2-3;2-1-9;..10.# |
b4b20 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 33 30 3b 32 2d 33 2d 33 3b 32 2d 32 2d 39 3b 32 2d | ...3;1-2-3;1-1-30;2-3-3;2-2-9;2- |
b4b40 | 31 2d 31 35 3b 00 02 31 31 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 1-15;..11.....3;1-2-3;2-2-3;2-1- |
b4b60 | 31 35 3b 32 2d 31 2d 33 30 3b 00 02 31 32 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | 15;2-1-30;..12.....3;1-2-3;1-1-1 |
b4b80 | 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 33 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 | 5;2-2-3;2-1-15;..13.....15;1-1-3 |
b4ba0 | 3b 32 2d 32 2d 33 3b 00 02 31 34 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 | ;2-2-3;..14.....3;1-2-3;1-1-15;2 |
b4bc0 | 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | -2-3;2-1-15;..15.....3;1-2-3;2-2 |
b4be0 | 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 31 36 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | -3;2-2-15;..16.....3;1-2-3;1-1-1 |
b4c00 | 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 37 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 | 5;2-2-3;2-1-30;..17.....15;1-1-3 |
b4c20 | 3b 32 2d 32 2d 33 3b 00 02 31 38 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | ;2-2-3;..18.....15;1-1-3;2-2-3;. |
b4c40 | 00 00 02 73 6d 69 6c 65 73 00 28 00 00 00 43 6c 63 31 63 63 63 28 63 63 31 29 53 28 3d 4f 29 28 | ...smiles.(...Clc1ccc(cc1)S(=O)( |
b4c60 | 3d 4f 29 63 31 63 63 28 43 6c 29 63 28 63 63 31 43 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 | =O)c1cc(Cl)c(cc1Cl)Cl..updated_a |
b4c80 | 74 00 b4 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f5 80 7d 46 50 01 00 00 10 64 | t...}FP....created_at...}FP....d |
b4ca0 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 | efault_fingerprint_size......inc |
b4cc0 | 68 69 00 51 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 36 43 6c 34 4f 32 53 2f 63 31 33 2d | hi.Q...InChI=1S/C12H6Cl4O2S/c13- |
b4ce0 | 37 2d 31 2d 33 2d 38 28 34 2d 32 2d 37 29 31 39 28 31 37 2c 31 38 29 31 32 2d 36 2d 31 30 28 31 | 7-1-3-8(4-2-7)19(17,18)12-6-10(1 |
b4d00 | 35 29 39 28 31 34 29 35 2d 31 31 28 31 32 29 31 36 2f 68 31 2d 36 48 00 00 36 03 00 00 07 5f 69 | 5)9(14)5-11(12)16/h1-6H..6...._i |
b4d20 | 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 1a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V.$9+r.0.....warnings.......fi |
b4d40 | 6e 67 65 72 70 72 69 6e 74 73 00 34 02 00 00 04 4d 50 32 44 00 29 02 00 00 02 30 00 0f 00 00 00 | ngerprints.4....MP2D.)....0..... |
b4d60 | 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d | 1;1-1-1;2-1-1;..1.....1;1-2-1;2- |
b4d80 | 31 2d 31 3b 00 02 32 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b | 1-1;..2.....1;1-2-1;2-1-1;2-1-3; |
b4da0 | 00 02 33 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | ..3.....1;1-1-1;1-1-3;2-1-1;2-2- |
b4dc0 | 33 3b 00 02 34 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d | 3;..4."...3;1-1-1;1-2-3;2-2-1;2- |
b4de0 | 31 2d 39 3b 32 2d 32 2d 31 31 3b 00 02 35 00 22 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 | 1-9;2-2-11;..5."...3;1-1-3;1-1-9 |
b4e00 | 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 16 00 00 00 39 3b 31 2d | ;1-1-11;2-1-1;2-2-3;..6.....9;1- |
b4e20 | 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 37 00 24 00 00 00 31 31 3b 31 2d 32 2d | 1-3;2-1-3;2-1-11;..7.$...11;1-2- |
b4e40 | 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 38 00 | 3;2-1-3;2-1-9;2-1-11;2-1-19;..8. |
b4e60 | 24 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | $...3;1-2-11;1-1-19;2-1-1;2-2-3; |
b4e80 | 32 2d 31 2d 31 33 3b 00 02 39 00 2b 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 | 2-1-13;..9.+...11;1-2-3;1-1-13;2 |
b4ea0 | 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 11 00 | -1-1;2-1-3;2-1-11;2-1-19;..10... |
b4ec0 | 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 29 00 00 00 33 3b 31 2d 31 | ..13;1-1-11;2-2-3;..11.)...3;1-1 |
b4ee0 | 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d | -1;1-1-3;1-1-11;2-1-1;2-2-3;2-1- |
b4f00 | 31 33 3b 00 02 31 32 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 | 13;..12.....1;1-1-3;2-1-3;2-1-11 |
b4f20 | 3b 00 02 31 33 00 1d 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 | ;..13.....19;1-1-1;1-1-3;2-1-1;2 |
b4f40 | 2d 32 2d 31 31 3b 00 02 31 34 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d | -2-11;..14.....1;1-1-1;1-1-19;2- |
b4f60 | 31 2d 33 3b 00 02 31 35 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 00 00 02 | 1-3;..15.....1;1-1-1;2-1-19;.... |
b4f80 | 73 6d 69 6c 65 73 00 1a 00 00 00 43 43 43 43 63 31 63 28 3d 4f 29 6e 63 28 5b 6e 48 5d 63 31 43 | smiles.....CCCCc1c(=O)nc([nH]c1C |
b4fa0 | 29 4e 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 b7 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 | )NCC..updated_at...}FP....create |
b4fc0 | 64 5f 61 74 00 fb 80 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at...}FP....default_fingerprin |
b4fe0 | 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 58 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.X...InChI=1S/C |
b5000 | 31 31 48 31 39 4e 33 4f 2f 63 31 2d 34 2d 36 2d 37 2d 39 2d 38 28 33 29 31 33 2d 31 31 28 31 32 | 11H19N3O/c1-4-6-7-9-8(3)13-11(12 |
b5020 | 2d 35 2d 32 29 31 34 2d 31 30 28 39 29 31 35 2f 68 34 2d 37 48 32 2c 31 2d 33 48 33 2c 28 48 32 | -5-2)14-10(9)15/h4-7H2,1-3H3,(H2 |
b5040 | 2c 31 32 2c 31 33 2c 31 34 2c 31 35 29 00 00 2d 04 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 | ,12,13,14,15)..-...._id.V.$9+r.0 |
b5060 | fb 00 01 1b 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 | .....warnings.......fingerprints |
b5080 | 00 04 03 00 00 04 4d 50 32 44 00 f9 02 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d | ......MP2D......0.....1;1-1-1;2- |
b50a0 | 31 2d 31 39 3b 00 02 31 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d | 1-19;..1.....1;1-1-1;1-1-19;2-1- |
b50c0 | 31 3b 32 2d 31 2d 33 3b 00 02 32 00 22 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 | 1;2-1-3;..2."...19;1-2-1;1-1-3;2 |
b50e0 | 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 33 00 23 00 00 00 33 3b 31 2d 32 2d 33 | -1-1;2-1-2;2-2-3;..3.#...3;1-2-3 |
b5100 | 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 39 3b 00 02 34 00 23 | ;1-1-19;2-2-1;2-2-3;2-2-19;..4.# |
b5120 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 32 2d | ...3;1-2-3;1-1-19;2-2-3;2-2-9;2- |
b5140 | 31 2d 31 39 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | 1-19;..5.....3;1-2-3;2-1-1;2-2-3 |
b5160 | 3b 32 2d 31 2d 31 39 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d | ;2-1-19;..6.....3;1-1-1;1-2-3;2- |
b5180 | 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 | 2-3;2-3-16;..7.....3;1-2-3;2-1-1 |
b51a0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 38 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | ;2-2-3;2-1-19;..8.#...3;1-2-3;1- |
b51c0 | 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 39 00 16 00 00 00 | 1-19;2-2-3;2-2-9;2-1-19;..9..... |
b51e0 | 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 31 30 00 16 00 00 00 39 3b | 19;1-1-3;1-2-9;2-2-3;..10.....9; |
b5200 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 31 00 16 00 00 00 39 3b 31 2d | 1-1-19;2-1-3;2-1-9;..11.....9;1- |
b5220 | 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 32 00 16 00 00 00 31 3b 31 2d 31 2d | 1-19;2-1-3;2-1-9;..12.....1;1-1- |
b5240 | 33 3b 31 2d 33 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 31 33 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 | 3;1-3-16;2-2-3;..13.....16;1-1-1 |
b5260 | 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 31 34 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b | ;2-1-3;2-2-16;..14.....16;1-1-1; |
b5280 | 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 31 35 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 | 2-1-3;2-2-16;..15.....16;1-1-1;2 |
b52a0 | 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 31 36 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d | -1-3;2-2-16;..16.....19;1-1-3;1- |
b52c0 | 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 31 37 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d | 2-9;2-2-3;..17.....9;1-1-19;2-1- |
b52e0 | 33 3b 32 2d 31 2d 39 3b 00 02 31 38 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b | 3;2-1-9;..18.....9;1-1-19;2-1-3; |
b5300 | 32 2d 31 2d 39 3b 00 02 31 39 00 22 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d | 2-1-9;..19."...1;1-1-2;1-1-19;2- |
b5320 | 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 32 30 00 16 00 00 00 32 3b 31 2d 32 2d 31 | 2-1;2-1-2;2-1-3;..20.....2;1-2-1 |
b5340 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 32 31 00 0f 00 00 00 32 3b 31 2d 31 2d 32 3b 32 | ;1-1-2;2-1-19;..21.....2;1-1-2;2 |
b5360 | 2d 32 2d 31 3b 00 02 32 32 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d | -2-1;..22.....1;1-1-2;2-1-1;2-1- |
b5380 | 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 2f 00 00 00 43 43 4e 28 63 31 63 28 63 63 28 63 63 31 4e | 2;....smiles./...CCN(c1c(cc(cc1N |
b53a0 | 28 3d 4f 29 3d 4f 29 43 28 46 29 28 46 29 46 29 4e 28 3d 4f 29 3d 4f 29 43 43 28 3d 43 29 43 00 | (=O)=O)C(F)(F)F)N(=O)=O)CC(=C)C. |
b53c0 | 09 75 70 64 61 74 65 64 5f 61 74 00 bb 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at...}FP....created_at. |
b53e0 | 05 81 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | ..}FP....default_fingerprint_siz |
b5400 | 65 00 00 00 00 00 02 69 6e 63 68 69 00 6a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 33 48 31 34 | e......inchi.j...InChI=1S/C13H14 |
b5420 | 46 33 4e 33 4f 34 2f 63 31 2d 34 2d 31 37 28 37 2d 38 28 32 29 33 29 31 32 2d 31 30 28 31 38 28 | F3N3O4/c1-4-17(7-8(2)3)12-10(18( |
b5440 | 32 30 29 32 31 29 35 2d 39 28 31 33 28 31 34 2c 31 35 29 31 36 29 36 2d 31 31 28 31 32 29 31 39 | 20)21)5-9(13(14,15)16)6-11(12)19 |
b5460 | 28 32 32 29 32 33 2f 68 35 2d 36 48 2c 32 2c 34 2c 37 48 32 2c 31 2c 33 48 33 00 00 06 04 00 00 | (22)23/h5-6H,2,4,7H2,1,3H3...... |
b5480 | 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 1c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V.$9+r.0.....warnings...... |
b54a0 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 cb 02 00 00 04 4d 50 32 44 00 c0 02 00 00 02 30 00 10 | .fingerprints......MP2D......0.. |
b54c0 | 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d | ...15;1-1-3;2-2-3;..1.....3;1-2- |
b54e0 | 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-1-15;2-2-3;..2.....3;1-2-3;2 |
b5500 | 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | -2-3;2-1-15;..3.....3;1-2-3;2-1- |
b5520 | 31 3b 32 2d 32 2d 33 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d | 1;2-2-3;..4.....3;1-1-1;1-2-3;2- |
b5540 | 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 | 2-3;2-1-28;..5.....3;1-2-3;2-1-1 |
b5560 | 3b 32 2d 32 2d 33 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | ;2-2-3;..6.....3;1-2-3;2-2-3;2-1 |
b5580 | 2d 31 35 3b 00 02 37 00 22 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 | -15;..7."...1;1-1-3;1-1-28;2-1-1 |
b55a0 | 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 38 00 29 00 00 00 32 38 3b 31 2d 32 2d 31 3b 31 2d | ;2-1-2;2-2-3;..8.)...28;1-2-1;1- |
b55c0 | 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 39 | 1-2;2-2-1;2-1-3;2-1-9;2-1-28;..9 |
b55e0 | 00 1c 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 32 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b | .....2;1-1-9;1-2-28;2-2-1;2-1-3; |
b5600 | 00 02 31 30 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 31 31 00 23 00 00 | ..10.....9;1-1-2;2-2-28;..11.#.. |
b5620 | 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d | .28;1-1-2;1-1-3;2-2-3;2-1-9;2-1- |
b5640 | 32 38 3b 00 02 31 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 | 28;..12.....3;1-2-3;1-1-28;2-1-2 |
b5660 | 3b 32 2d 32 2d 33 3b 00 02 31 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | ;2-2-3;..13.....3;1-2-3;2-2-3;2- |
b5680 | 31 2d 32 38 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 | 1-28;..14.....3;1-2-3;2-2-3;..15 |
b56a0 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 0f 00 00 00 33 3b 31 2d | .....3;1-2-3;2-2-3;..16.....3;1- |
b56c0 | 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 2-3;2-2-3;..17.....3;1-2-3;2-2-3 |
b56e0 | 3b 32 2d 31 2d 32 38 3b 00 02 31 38 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 38 3b | ;2-1-28;..18.....1;1-2-1;1-1-28; |
b5700 | 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 39 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 | 2-3-1;2-1-2;..19.....1;1-2-1;2-2 |
b5720 | 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 32 30 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 | -1;2-1-28;..20.....1;1-2-1;2-2-1 |
b5740 | 3b 00 02 32 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 32 00 16 00 00 | ;..21.....1;1-2-1;2-2-1;..22.... |
b5760 | 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 6d 69 6c 65 73 | .1;1-2-1;2-2-1;2-1-28;....smiles |
b5780 | 00 26 00 00 00 43 6c 63 31 63 63 63 28 63 63 31 29 43 4e 28 43 28 3d 4f 29 4e 63 31 63 63 63 63 | .&...Clc1ccc(cc1)CN(C(=O)Nc1cccc |
b57a0 | 63 31 29 43 31 43 43 43 43 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 be 8a 7d 46 50 01 00 00 09 | c1)C1CCCC1..updated_at...}FP.... |
b57c0 | 63 72 65 61 74 65 64 5f 61 74 00 0c 81 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at...}FP....default_fing |
b57e0 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 85 00 00 00 49 6e 43 68 | erprint_size......inchi.....InCh |
b5800 | 49 3d 31 53 2f 43 31 39 48 32 31 43 6c 4e 32 4f 2f 63 32 30 2d 31 36 2d 31 32 2d 31 30 2d 31 35 | I=1S/C19H21ClN2O/c20-16-12-10-15 |
b5820 | 28 31 31 2d 31 33 2d 31 36 29 31 34 2d 32 32 28 31 38 2d 38 2d 34 2d 35 2d 39 2d 31 38 29 31 39 | (11-13-16)14-22(18-8-4-5-9-18)19 |
b5840 | 28 32 33 29 32 31 2d 31 37 2d 36 2d 32 2d 31 2d 33 2d 37 2d 31 37 2f 68 31 2d 33 2c 36 2d 37 2c | (23)21-17-6-2-1-3-7-17/h1-3,6-7, |
b5860 | 31 30 2d 31 33 2c 31 38 48 2c 34 2d 35 2c 38 2d 39 2c 31 34 48 32 2c 28 48 2c 32 31 2c 32 33 29 | 10-13,18H,4-5,8-9,14H2,(H,21,23) |
b5880 | 00 00 09 05 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 1d 04 77 61 72 6e 69 6e 67 73 | ......._id.V.$9+r.0.....warnings |
b58a0 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 bc 03 00 00 04 4d 50 32 44 00 b1 03 | .......fingerprints......MP2D... |
b58c0 | 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 1c 00 00 00 | ...0.....15;1-1-3;2-2-3;..1..... |
b58e0 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 00 1c | 3;1-2-3;1-1-15;2-2-3;2-1-8;..2.. |
b5900 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 | ...3;1-2-3;2-1-1;2-2-3;2-1-15;.. |
b5920 | 33 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 | 3.....3;1-1-1;1-2-3;2-2-3;2-3-16 |
b5940 | 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 | ;..4.....3;1-2-3;2-1-1;2-2-3;..5 |
b5960 | 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 1c 00 00 | .....3;1-2-3;2-2-3;2-1-8;..6.... |
b5980 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 37 00 | .3;1-2-3;1-1-8;2-3-3;2-1-15;..7. |
b59a0 | 0f 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d | ....8;1-2-3;2-4-3;..8.....3;1-2- |
b59c0 | 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 3;1-1-8;2-3-3;..9.....3;1-2-3;2- |
b59e0 | 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 2-3;2-1-8;..10.....3;1-2-3;2-2-3 |
b5a00 | 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 29 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b | ;2-1-19;..11.)...3;1-2-3;1-1-19; |
b5a20 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 33 32 3b 00 02 31 32 00 29 00 | 2-1-2;2-2-3;2-1-9;2-1-32;..12.). |
b5a40 | 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d | ..3;1-1-2;1-2-3;2-2-3;2-1-9;2-1- |
b5a60 | 31 39 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 | 19;2-1-28;..13.....3;1-2-3;2-1-2 |
b5a80 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 34 00 23 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d | ;2-2-3;2-1-8;..14.#...2;1-1-3;1- |
b5aa0 | 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 35 00 16 00 00 | 1-9;1-1-28;2-2-3;2-1-30;..15.... |
b5ac0 | 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 36 00 23 00 00 00 32 | .9;1-1-2;2-1-3;2-1-28;..16.#...2 |
b5ae0 | 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 33 2d 39 | 8;1-1-2;1-1-30;2-1-1;2-1-3;2-3-9 |
b5b00 | 3b 00 02 31 37 00 1d 00 00 00 33 30 3b 31 2d 31 2d 31 3b 31 2d 32 2d 39 3b 31 2d 31 2d 32 38 3b | ;..17.....30;1-1-1;1-2-9;1-1-28; |
b5b20 | 32 2d 31 2d 32 3b 00 02 31 38 00 1d 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 31 3b 32 2d | 2-1-2;..18.....9;1-1-30;2-1-1;2- |
b5b40 | 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 39 00 1d 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 | 1-9;2-1-28;..19.....9;1-1-30;2-1 |
b5b60 | 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 32 30 00 17 00 00 00 31 3b 31 2d 31 2d 33 | -1;2-1-9;2-1-28;..20.....1;1-1-3 |
b5b80 | 30 3b 32 2d 32 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 32 31 00 1d 00 00 00 31 39 3b 31 2d 31 2d 33 | 0;2-2-9;2-1-28;..21.....19;1-1-3 |
b5ba0 | 3b 31 2d 31 2d 39 3b 31 2d 31 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 32 32 00 17 00 00 00 39 3b 31 | ;1-1-9;1-1-32;2-2-3;..22.....9;1 |
b5bc0 | 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 32 33 00 17 00 00 00 33 32 3b 31 | -1-19;2-1-3;2-1-32;..23.....32;1 |
b5be0 | 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 34 00 16 00 00 00 31 3b 31 2d 31 | -1-19;2-1-3;2-1-9;..24.....1;1-1 |
b5c00 | 2d 33 3b 31 2d 33 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 32 35 00 17 00 00 00 31 36 3b 31 2d 31 2d | -3;1-3-16;2-2-3;..25.....16;1-1- |
b5c20 | 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 36 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 | 1;2-1-3;2-2-16;..26.....16;1-1-1 |
b5c40 | 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 37 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b | ;2-1-3;2-2-16;..27.....16;1-1-1; |
b5c60 | 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 3e 00 00 00 43 6c 63 31 | 2-1-3;2-2-16;....smiles.>...Clc1 |
b5c80 | 63 63 28 63 63 63 31 4f 63 31 63 63 63 28 63 28 63 31 29 43 28 3d 4f 29 4e 53 28 3d 4f 29 28 3d | cc(ccc1Oc1ccc(c(c1)C(=O)NS(=O)(= |
b5ca0 | 4f 29 43 29 5b 4e 2b 5d 28 3d 4f 29 5b 4f 2d 5d 29 43 28 46 29 28 46 29 46 00 09 75 70 64 61 74 | O)C)[N+](=O)[O-])C(F)(F)F..updat |
b5cc0 | 65 64 5f 61 74 00 c1 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 14 81 7d 46 50 01 | ed_at...}FP....created_at...}FP. |
b5ce0 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
b5d00 | 02 69 6e 63 68 69 00 7f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 31 30 43 6c 46 33 4e 32 | .inchi.....InChI=1S/C15H10ClF3N2 |
b5d20 | 4f 36 53 2f 63 31 2d 32 38 28 32 35 2c 32 36 29 32 30 2d 31 34 28 32 32 29 31 30 2d 37 2d 39 28 | O6S/c1-28(25,26)20-14(22)10-7-9( |
b5d40 | 33 2d 34 2d 31 32 28 31 30 29 32 31 28 32 33 29 32 34 29 32 37 2d 31 33 2d 35 2d 32 2d 38 28 36 | 3-4-12(10)21(23)24)27-13-5-2-8(6 |
b5d60 | 2d 31 31 28 31 33 29 31 36 29 31 35 28 31 37 2c 31 38 29 31 39 2f 68 32 2d 37 48 2c 31 48 33 2c | -11(13)16)15(17,18)19/h2-7H,1H3, |
b5d80 | 28 48 2c 32 30 2c 32 32 29 00 00 68 04 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 1e | (H,20,22)..h...._id.V.$9+r.0.... |
b5da0 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 3a 03 00 | .warnings.......fingerprints.:.. |
b5dc0 | 00 04 4d 50 32 44 00 2f 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b | ..MP2D./....0.....1;1-1-1;2-1-8; |
b5de0 | 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 32 00 | ..1.....1;1-1-1;1-1-8;2-1-2;..2. |
b5e00 | 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 | ....8;1-1-1;1-1-2;2-2-1;2-1-9;.. |
b5e20 | 33 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b | 3.!...2;1-1-1;1-1-8;1-1-9;2-2-1; |
b5e40 | 32 2d 31 2d 38 3b 00 02 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d | 2-1-8;..4.....9;1-1-2;2-1-1;2-1- |
b5e60 | 38 3b 00 02 35 00 27 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d | 8;..5.'...1;1-1-1;1-1-2;1-1-8;2- |
b5e80 | 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 36 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b | 1-3;2-1-8;2-1-9;..6.!...8;1-1-1; |
b5ea0 | 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 1b 00 00 00 | 1-1-3;2-1-1;2-1-2;2-2-3;..7..... |
b5ec0 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 | 3;1-2-3;1-1-8;2-1-1;2-2-3;..8... |
b5ee0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 15 00 00 00 33 3b | ..3;1-2-3;2-2-3;2-1-8;..9.....3; |
b5f00 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 | 1-2-3;2-2-3;2-1-8;..10.....3;1-2 |
b5f20 | 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;1-1-8;2-3-3;..11.....3;1-2-3; |
b5f40 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 2-2-3;2-1-8;..12.....3;1-2-3;2-2 |
b5f60 | 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 33 00 1c 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | -3;2-1-8;..13.....8;1-2-3;2-2-3; |
b5f80 | 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 31 34 00 1c 00 00 00 33 3b 31 2d 31 2d 38 3b 31 2d | 2-1-9;2-1-11;..14.....3;1-1-8;1- |
b5fa0 | 31 2d 39 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 00 02 31 35 00 1c 00 00 00 31 31 3b 31 2d 32 | 1-9;1-1-11;2-3-3;..15.....11;1-2 |
b5fc0 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 36 00 1c 00 00 00 33 3b | -3;2-2-3;2-1-8;2-1-9;..16.....3; |
b5fe0 | 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 37 00 1c 00 | 1-2-3;1-1-11;2-3-3;2-1-9;..17... |
b6000 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 | ..3;1-2-3;1-1-9;2-3-3;2-1-11;..1 |
b6020 | 38 00 1c 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 | 8.....9;1-2-3;2-2-3;2-1-8;2-1-11 |
b6040 | 3b 00 02 31 39 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d | ;..19.....3;1-2-3;2-2-3;2-1-9;2- |
b6060 | 31 2d 31 35 3b 00 02 32 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 | 1-15;..20.....3;1-2-3;1-1-15;2-2 |
b6080 | 2d 33 3b 00 02 32 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 | -3;..21.....3;1-2-3;2-2-3;2-1-15 |
b60a0 | 3b 00 02 32 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 | ;..22.....3;1-2-3;2-2-3;2-1-11;. |
b60c0 | 02 32 33 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 34 00 15 00 00 00 | .23.....15;1-1-3;2-2-3;..24..... |
b60e0 | 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 2c | 1;1-1-1;2-1-2;2-1-8;....smiles., |
b6100 | 00 00 00 43 43 4f 43 28 3d 4f 29 43 28 4f 63 31 63 63 63 28 63 63 31 29 4f 63 31 6e 63 32 63 28 | ...CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c( |
b6120 | 6f 31 29 63 63 28 63 63 32 29 43 6c 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 c3 8a 7d 46 50 | o1)cc(cc2)Cl)C..updated_at...}FP |
b6140 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 1b 81 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at...}FP....default_ |
b6160 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 72 00 00 00 | fingerprint_size......inchi.r... |
b6180 | 49 6e 43 68 49 3d 31 53 2f 43 31 38 48 31 36 43 6c 4e 4f 35 2f 63 31 2d 33 2d 32 32 2d 31 37 28 | InChI=1S/C18H16ClNO5/c1-3-22-17( |
b61a0 | 32 31 29 31 31 28 32 29 32 33 2d 31 33 2d 35 2d 37 2d 31 34 28 38 2d 36 2d 31 33 29 32 34 2d 31 | 21)11(2)23-13-5-7-14(8-6-13)24-1 |
b61c0 | 38 2d 32 30 2d 31 35 2d 39 2d 34 2d 31 32 28 31 39 29 31 30 2d 31 36 28 31 35 29 32 35 2d 31 38 | 8-20-15-9-4-12(19)10-16(15)25-18 |
b61e0 | 2f 68 34 2d 31 31 48 2c 33 48 32 2c 31 2d 32 48 33 00 00 c9 03 00 00 07 5f 69 64 00 56 16 24 39 | /h4-11H,3H2,1-2H3......._id.V.$9 |
b6200 | 2b 72 ed 30 fb 00 01 1f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.0.....warnings.......fingerpr |
b6220 | 69 6e 74 73 00 a9 02 00 00 04 4d 50 32 44 00 9e 02 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 | ints......MP2D......0.....15;1-1 |
b6240 | 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 00 1d 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b | -1;2-1-2;..1.....1;1-1-2;1-1-15; |
b6260 | 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 32 00 29 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-1-9;2-1-28;..2.)...2;1-1-1;1-1 |
b6280 | 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 33 | -9;1-1-28;2-1-1;2-1-3;2-1-15;..3 |
b62a0 | 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 34 00 2f 00 | .....9;1-1-2;2-1-1;2-1-28;..4./. |
b62c0 | 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 | ..28;1-1-1;1-1-2;1-1-3;2-1-1;2-2 |
b62e0 | 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 35 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-1-9;2-1-28;..5."...3;1-2-3; |
b6300 | 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 22 00 00 | 1-1-28;2-3-1;2-1-2;2-2-3;..6.".. |
b6320 | 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 | .3;1-1-1;1-2-3;2-1-1;2-2-3;2-1-2 |
b6340 | 38 3b 00 02 37 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 | 8;..7.....1;1-1-1;1-1-3;2-2-3;.. |
b6360 | 38 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 39 00 15 00 00 00 33 3b 31 2d | 8.....1;1-1-1;2-1-3;..9.....3;1- |
b6380 | 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-1-1;2-2-3;..10.....3;1-2-3 |
b63a0 | 3b 32 2d 32 2d 33 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | ;2-2-3;..11.....3;1-2-3;2-1-1;2- |
b63c0 | 32 2d 33 3b 00 02 31 32 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 | 2-3;..12."...3;1-1-1;1-2-3;2-1-1 |
b63e0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | ;2-2-3;2-1-28;..13.....1;1-1-1;1 |
b6400 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d | -1-3;2-2-3;..14.....1;1-1-1;2-1- |
b6420 | 33 3b 00 02 31 35 00 16 00 00 00 31 3b 31 2d 32 2d 32 38 3b 32 2d 32 2d 32 3b 32 2d 31 2d 33 3b | 3;..15.....1;1-2-28;2-2-2;2-1-3; |
b6440 | 00 02 31 36 00 23 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d | ..16.#...28;1-1-1;1-1-2;2-1-1;2- |
b6460 | 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 37 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 1-9;2-1-28;..17.....2;1-1-1;1-1- |
b6480 | 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 00 02 31 38 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b | 9;1-1-28;2-1-1;..18.....9;1-1-2; |
b64a0 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 39 00 16 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d | 2-1-1;2-1-28;..19.....1;1-1-2;2- |
b64c0 | 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 22 00 00 00 43 6c 43 43 28 3d | 1-9;2-1-28;....smiles."...ClCC(= |
b64e0 | 4f 29 4e 28 63 31 63 28 43 43 29 63 63 63 63 31 43 43 29 43 4e 43 28 3d 4f 29 43 00 09 75 70 64 | O)N(c1c(CC)cccc1CC)CNC(=O)C..upd |
b6500 | 61 74 65 64 5f 61 74 00 c6 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 21 81 7d 46 | ated_at...}FP....created_at.!.}F |
b6520 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
b6540 | 00 00 02 69 6e 63 68 69 00 6e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 32 31 43 6c 4e 32 | ...inchi.n...InChI=1S/C15H21ClN2 |
b6560 | 4f 32 2f 63 31 2d 34 2d 31 32 2d 37 2d 36 2d 38 2d 31 33 28 35 2d 32 29 31 35 28 31 32 29 31 38 | O2/c1-4-12-7-6-8-13(5-2)15(12)18 |
b6580 | 28 31 34 28 32 30 29 39 2d 31 36 29 31 30 2d 31 37 2d 31 31 28 33 29 31 39 2f 68 36 2d 38 48 2c | (14(20)9-16)10-17-11(3)19/h6-8H, |
b65a0 | 34 2d 35 2c 39 2d 31 30 48 32 2c 31 2d 33 48 33 2c 28 48 2c 31 37 2c 31 39 29 00 00 41 03 00 00 | 4-5,9-10H2,1-3H3,(H,17,19)..A... |
b65c0 | 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 20 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V.$9+r.0.....warnings...... |
b65e0 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 34 02 00 00 04 4d 50 32 44 00 29 02 00 00 02 30 00 12 | .fingerprints.4....MP2D.)....0.. |
b6600 | 00 00 00 31 39 3b 31 2d 31 2d 33 33 3b 32 2d 32 2d 31 39 3b 00 02 31 00 11 00 00 00 33 33 3b 31 | ...19;1-1-33;2-2-19;..1.....33;1 |
b6620 | 2d 33 2d 31 39 3b 32 2d 31 2d 31 3b 00 02 32 00 12 00 00 00 31 39 3b 31 2d 31 2d 33 33 3b 32 2d | -3-19;2-1-1;..2.....19;1-1-33;2- |
b6640 | 32 2d 31 39 3b 00 02 33 00 1e 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 33 3b 32 2d 31 | 2-19;..3.....19;1-1-1;1-1-33;2-1 |
b6660 | 2d 31 3b 32 2d 32 2d 31 39 3b 00 02 34 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 | -1;2-2-19;..4.....1;1-1-1;1-1-19 |
b6680 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 33 3b 00 02 35 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d | ;2-1-1;2-1-33;..5.....1;1-2-1;2- |
b66a0 | 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 36 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 | 1-1;2-1-19;..6.....1;1-2-1;2-2-1 |
b66c0 | 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 38 00 0f 00 00 00 31 | ;..7.....1;1-2-1;2-2-1;..8.....1 |
b66e0 | 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 39 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 | ;1-2-1;2-2-1;..9.....1;1-2-1;2-2 |
b6700 | 2d 31 3b 00 02 31 30 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 31 00 0f | -1;..10.....1;1-2-1;2-2-1;..11.. |
b6720 | 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 32 00 0f 00 00 00 31 3b 31 2d 32 2d | ...1;1-2-1;2-2-1;..12.....1;1-2- |
b6740 | 31 3b 32 2d 32 2d 31 3b 00 02 31 33 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 | 1;2-2-1;..13.....1;1-2-1;2-2-1;. |
b6760 | 02 31 34 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 35 | .14.....1;1-2-1;2-1-1;2-1-8;..15 |
b6780 | 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 | .....1;1-1-1;1-1-8;2-1-1;2-1-2;. |
b67a0 | 02 31 36 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d | .16.....8;1-1-1;1-1-2;2-2-1;2-1- |
b67c0 | 39 3b 00 02 31 37 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 | 9;..17.....2;1-1-1;1-1-8;1-1-9;2 |
b67e0 | 2d 31 2d 31 3b 00 02 31 38 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d | -1-1;..18.....9;1-1-2;2-1-1;2-1- |
b6800 | 38 3b 00 02 31 39 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 | 8;..19.....1;1-1-2;2-1-8;2-1-9;. |
b6820 | 00 00 02 73 6d 69 6c 65 73 00 1b 00 00 00 4e 43 28 3d 4e 29 4e 43 43 43 43 43 43 43 43 43 43 43 | ...smiles.....NC(=N)NCCCCCCCCCCC |
b6840 | 43 4f 43 28 3d 4f 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 c8 8a 7d 46 50 01 00 00 09 63 72 | COC(=O)C..updated_at...}FP....cr |
b6860 | 65 61 74 65 64 5f 61 74 00 27 81 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at.'.}FP....default_finger |
b6880 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 62 00 00 00 49 6e 43 68 49 3d | print_size......inchi.b...InChI= |
b68a0 | 31 53 2f 43 31 35 48 33 31 4e 33 4f 32 2f 63 31 2d 31 34 28 31 39 29 32 30 2d 31 33 2d 31 31 2d | 1S/C15H31N3O2/c1-14(19)20-13-11- |
b68c0 | 39 2d 37 2d 35 2d 33 2d 32 2d 34 2d 36 2d 38 2d 31 30 2d 31 32 2d 31 38 2d 31 35 28 31 36 29 31 | 9-7-5-3-2-4-6-8-10-12-18-15(16)1 |
b68e0 | 37 2f 68 32 2d 31 33 48 32 2c 31 48 33 2c 28 48 34 2c 31 36 2c 31 37 2c 31 38 29 00 00 17 03 00 | 7/h2-13H2,1H3,(H4,16,17,18)..... |
b6900 | 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 21 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V.$9+r.0...!.warnings..... |
b6920 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 14 02 00 00 04 4d 50 32 44 00 09 02 00 00 02 30 00 | ..fingerprints......MP2D......0. |
b6940 | 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 34 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 | ....15;1-1-1;2-1-4;..1.....1;1-1 |
b6960 | 2d 34 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 34 3b 00 02 32 00 1c 00 00 00 34 3b 31 2d 31 2d 31 3b | -4;1-1-15;2-1-4;..2.....4;1-1-1; |
b6980 | 31 2d 31 2d 34 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 33 00 1b 00 00 00 34 3b 31 2d 31 | 1-1-4;2-1-1;2-1-15;..3.....4;1-1 |
b69a0 | 2d 31 3b 31 2d 31 2d 34 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 00 1b 00 00 00 31 3b 31 | -1;1-1-4;2-1-1;2-1-8;..4.....1;1 |
b69c0 | 2d 31 2d 34 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 34 3b 00 02 35 00 22 00 00 00 38 | -1-4;1-1-8;2-1-2;2-1-4;..5."...8 |
b69e0 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 34 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b | ;1-1-1;1-1-2;2-1-4;2-1-9;2-1-28; |
b6a00 | 00 02 36 00 22 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 | ..6."...2;1-1-8;1-1-9;1-1-28;2-1 |
b6a20 | 2d 31 3b 32 2d 31 2d 33 3b 00 02 37 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 | -1;2-1-3;..7.....9;1-1-2;2-1-8;2 |
b6a40 | 2d 31 2d 32 38 3b 00 02 38 00 22 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 | -1-28;..8."...28;1-1-2;1-1-3;2-2 |
b6a60 | 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 39 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | -3;2-1-8;2-1-9;..9.....3;1-2-3;1 |
b6a80 | 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 | -1-28;2-1-2;2-2-3;..10.....3;1-2 |
b6aa0 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | -3;2-2-3;2-1-28;..11.....3;1-2-3 |
b6ac0 | 3b 32 2d 32 2d 33 3b 00 02 31 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | ;2-2-3;..12.....3;1-2-3;2-2-3;2- |
b6ae0 | 31 2d 31 35 3b 00 02 31 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 | 1-15;..13.....3;1-2-3;1-1-15;2-2 |
b6b00 | 2d 33 3b 00 02 31 34 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 | -3;..14.....3;1-2-3;2-2-3;2-1-15 |
b6b20 | 3b 32 2d 31 2d 32 38 3b 00 02 31 35 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b | ;2-1-28;..15.....15;1-1-3;2-2-3; |
b6b40 | 00 00 00 02 73 6d 69 6c 65 73 00 1b 00 00 00 43 6c 43 43 23 43 43 4f 43 28 3d 4f 29 4e 63 31 63 | ....smiles.....ClCC#CCOC(=O)Nc1c |
b6b60 | 63 63 63 28 63 31 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 ca 8a 7d 46 50 01 00 00 09 63 | ccc(c1)Cl..updated_at...}FP....c |
b6b80 | 72 65 61 74 65 64 5f 61 74 00 2d 81 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.-.}FP....default_finge |
b6ba0 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 58 00 00 00 49 6e 43 68 49 | rprint_size......inchi.X...InChI |
b6bc0 | 3d 31 53 2f 43 31 31 48 39 43 6c 32 4e 4f 32 2f 63 31 32 2d 36 2d 31 2d 32 2d 37 2d 31 36 2d 31 | =1S/C11H9Cl2NO2/c12-6-1-2-7-16-1 |
b6be0 | 31 28 31 35 29 31 34 2d 31 30 2d 35 2d 33 2d 34 2d 39 28 31 33 29 38 2d 31 30 2f 68 33 2d 35 2c | 1(15)14-10-5-3-4-9(13)8-10/h3-5, |
b6c00 | 38 48 2c 36 2d 37 48 32 2c 28 48 2c 31 34 2c 31 35 29 00 00 f0 04 00 00 07 5f 69 64 00 56 16 24 | 8H,6-7H2,(H,14,15)......._id.V.$ |
b6c20 | 39 2b 72 ed 30 fb 00 01 22 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | 9+r.0...".warnings.......fingerp |
b6c40 | 72 69 6e 74 73 00 a6 03 00 00 04 4d 50 32 44 00 9b 03 00 00 02 30 00 0f 00 00 00 37 3b 31 2d 31 | rints......MP2D......0.....7;1-1 |
b6c60 | 2d 34 3b 32 2d 31 2d 31 3b 00 02 31 00 1b 00 00 00 34 3b 31 2d 31 2d 31 3b 31 2d 31 2d 37 3b 32 | -4;2-1-1;..1.....4;1-1-1;1-1-7;2 |
b6c80 | 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 00 27 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 34 | -1-3;2-1-8;..2.'...1;1-1-3;1-1-4 |
b6ca0 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 37 3b 00 02 33 00 21 00 00 | ;1-1-8;2-1-2;2-2-3;2-1-7;..3.!.. |
b6cc0 | 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 34 3b 32 2d 31 2d 38 | .3;1-1-1;1-2-3;2-2-3;2-1-4;2-1-8 |
b6ce0 | 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 | ;..4.....3;1-2-3;2-1-1;2-2-3;..5 |
b6d00 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 | .....3;1-2-3;2-2-3;..6.....3;1-2 |
b6d20 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | -3;2-2-3;2-1-8;..7.....3;1-2-3;1 |
b6d40 | 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 38 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 | -1-8;2-3-3;..8.....3;1-2-3;2-1-1 |
b6d60 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 0f 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 | ;2-2-3;2-1-8;..9.....8;1-2-3;2-4 |
b6d80 | 2d 33 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b | -3;..10.....3;1-2-3;1-1-8;2-3-3; |
b6da0 | 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 | ..11.....3;1-2-3;2-2-3;2-1-8;..1 |
b6dc0 | 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 | 2.....3;1-2-3;2-2-3;..13.....3;1 |
b6de0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -2-3;2-2-3;..14.....3;1-2-3;2-2- |
b6e00 | 33 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 | 3;..15.....3;1-2-3;2-2-3;2-1-8;. |
b6e20 | 02 31 36 00 27 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d | .16.'...8;1-1-1;1-1-2;2-1-1;2-1- |
b6e40 | 33 3b 32 2d 31 2d 34 3b 32 2d 31 2d 39 3b 00 02 31 37 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 | 3;2-1-4;2-1-9;..17.!...2;1-1-1;1 |
b6e60 | 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 38 00 15 00 00 00 | -1-8;1-1-9;2-2-1;2-1-3;..18..... |
b6e80 | 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 39 00 2d 00 00 00 31 3b 31 | 9;1-1-2;2-1-1;2-1-8;..19.-...1;1 |
b6ea0 | 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 | -1-1;1-1-2;1-1-3;2-2-1;2-2-3;2-1 |
b6ec0 | 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 30 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b | -8;2-1-9;..20.!...3;1-1-1;1-2-3; |
b6ee0 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 31 00 15 00 00 00 33 3b 31 2d 32 | 2-1-1;2-1-2;2-2-3;..21.....3;1-2 |
b6f00 | 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-1-1;2-2-3;..22.....3;1-2-3; |
b6f20 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 32 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 2-2-3;2-1-15;..23.....3;1-2-3;1- |
b6f40 | 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 32 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 1-15;2-2-3;..24.....3;1-2-3;2-2- |
b6f60 | 33 3b 32 2d 31 2d 31 35 3b 00 02 32 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b | 3;2-1-15;..25.....3;1-2-3;2-1-1; |
b6f80 | 32 2d 32 2d 33 3b 00 02 32 36 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 | 2-2-3;..26.....15;1-1-3;2-2-3;.. |
b6fa0 | 32 37 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 32 38 00 | 27.....1;1-3-1;2-1-2;2-1-3;..28. |
b6fc0 | 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 39 00 0f 00 00 00 31 3b 31 2d 31 | ....1;1-1-1;2-2-1;..29.....1;1-1 |
b6fe0 | 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 34 00 00 00 4e 23 43 43 28 63 31 63 | -1;2-2-1;....smiles.4...N#CC(c1c |
b7000 | 63 63 63 28 63 31 29 4f 63 31 63 63 63 63 63 31 29 4f 43 28 3d 4f 29 43 28 63 31 63 63 63 28 63 | ccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(c |
b7020 | 63 31 29 43 6c 29 43 28 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 cd 8a 7d 46 50 01 00 00 | c1)Cl)C(C)C..updated_at...}FP... |
b7040 | 09 63 72 65 61 74 65 64 5f 61 74 00 35 81 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.5.}FP....default_fin |
b7060 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 86 00 00 00 49 6e 43 | gerprint_size......inchi.....InC |
b7080 | 68 49 3d 31 53 2f 43 32 35 48 32 32 43 6c 4e 4f 33 2f 63 31 2d 31 37 28 32 29 32 34 28 31 38 2d | hI=1S/C25H22ClNO3/c1-17(2)24(18- |
b70a0 | 31 31 2d 31 33 2d 32 30 28 32 36 29 31 34 2d 31 32 2d 31 38 29 32 35 28 32 38 29 33 30 2d 32 33 | 11-13-20(26)14-12-18)25(28)30-23 |
b70c0 | 28 31 36 2d 32 37 29 31 39 2d 37 2d 36 2d 31 30 2d 32 32 28 31 35 2d 31 39 29 32 39 2d 32 31 2d | (16-27)19-7-6-10-22(15-19)29-21- |
b70e0 | 38 2d 34 2d 33 2d 35 2d 39 2d 32 31 2f 68 33 2d 31 35 2c 31 37 2c 32 33 2d 32 34 48 2c 31 2d 32 | 8-4-3-5-9-21/h3-15,17,23-24H,1-2 |
b7100 | 48 33 00 00 e7 03 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 23 04 77 61 72 6e 69 6e | H3......._id.V.$9+r.0...#.warnin |
b7120 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c5 02 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
b7140 | ba 02 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 | .....0.....1;1-1-1;2-1-1;2-1-3;. |
b7160 | 02 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 21 | .1.....1;1-2-1;1-1-3;2-2-3;..2.! |
b7180 | 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 | ...3;1-1-1;1-2-3;2-2-1;2-2-3;2-1 |
b71a0 | 2d 38 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 | -8;..3.....3;1-2-3;2-2-1;2-2-3;. |
b71c0 | 02 34 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 33 2d 33 | .4.....3;1-1-1;1-2-3;2-2-1;2-3-3 |
b71e0 | 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 | ;..5.....3;1-2-3;2-1-1;2-2-3;..6 |
b7200 | 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 1b 00 00 | .....3;1-2-3;2-2-3;2-1-8;..7.... |
b7220 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 00 0f | .3;1-2-3;1-1-8;2-1-1;2-2-3;..8.. |
b7240 | 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 15 00 00 00 31 3b 31 2d 32 2d 31 | ...8;1-1-3;2-2-3;..9.....1;1-2-1 |
b7260 | 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 30 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d | ;1-2-3;2-4-3;..10.....3;1-1-1;1- |
b7280 | 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 33 2d 33 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-2-1;2-3-3;..11.....3;1-2-3 |
b72a0 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-1-1;2-2-3;..12.....3;1-2-3;2- |
b72c0 | 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 33 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 | 2-3;2-1-8;..13.....3;1-2-3;1-1-8 |
b72e0 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 34 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d | ;2-1-1;2-2-3;..14.!...3;1-1-1;1- |
b7300 | 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 35 00 15 00 00 00 33 | 2-3;2-2-1;2-2-3;2-1-8;..15.....3 |
b7320 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 36 00 15 00 00 00 31 3b 31 2d | ;1-2-3;2-2-1;2-2-3;..16.....1;1- |
b7340 | 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 37 00 15 00 00 00 31 3b 31 2d 31 2d 31 | 2-1;1-1-3;2-2-3;..17.....1;1-1-1 |
b7360 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 38 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d | ;2-1-1;2-1-3;..18.....1;1-1-1;2- |
b7380 | 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 39 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | 1-1;2-1-3;..19.....8;1-1-3;2-2-3 |
b73a0 | 3b 00 02 32 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 | ;..20.....1;1-1-1;2-1-1;2-2-3;.. |
b73c0 | 32 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 32 00 | 21.....1;1-1-1;2-1-1;2-2-3;..22. |
b73e0 | 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 6c | ....1;1-1-1;2-1-1;2-1-3;....smil |
b7400 | 65 73 00 2a 00 00 00 43 43 28 63 31 63 63 28 63 63 63 31 4f 29 43 28 63 31 63 63 63 28 63 28 63 | es.*...CC(c1cc(ccc1O)C(c1ccc(c(c |
b7420 | 31 29 43 28 43 29 43 29 4f 29 28 43 29 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 cf 8a 7d | 1)C(C)C)O)(C)C)C..updated_at...} |
b7440 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 3c 81 7d 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at.<.}FP....defaul |
b7460 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 68 00 | t_fingerprint_size......inchi.h. |
b7480 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 31 48 32 38 4f 32 2f 63 31 2d 31 33 28 32 29 31 37 2d 31 | ..InChI=1S/C21H28O2/c1-13(2)17-1 |
b74a0 | 31 2d 31 35 28 37 2d 39 2d 31 39 28 31 37 29 32 32 29 32 31 28 35 2c 36 29 31 36 2d 38 2d 31 30 | 1-15(7-9-19(17)22)21(5,6)16-8-10 |
b74c0 | 2d 32 30 28 32 33 29 31 38 28 31 32 2d 31 36 29 31 34 28 33 29 34 2f 68 37 2d 31 34 2c 32 32 2d | -20(23)18(12-16)14(3)4/h7-14,22- |
b74e0 | 32 33 48 2c 31 2d 36 48 33 00 00 0d 05 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 24 | 23H,1-6H3......._id.V.$9+r.0...$ |
b7500 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c3 03 00 | .warnings.......fingerprints.... |
b7520 | 00 04 4d 50 32 44 00 b8 03 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 39 | ..MP2D......0.....1;1-1-1;2-1-19 |
b7540 | 3b 00 02 31 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d | ;..1.....1;1-1-1;1-1-19;2-1-1;2- |
b7560 | 31 2d 33 3b 00 02 32 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 | 1-3;..2.....19;1-2-1;1-1-3;2-1-1 |
b7580 | 3b 32 2d 33 2d 33 3b 00 02 33 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d | ;2-3-3;..3.#...3;1-2-3;1-1-19;2- |
b75a0 | 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 39 3b 00 02 34 00 2a 00 00 00 33 3b 31 2d 32 2d 33 | 2-1;2-2-3;2-2-19;..4.*...3;1-2-3 |
b75c0 | 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 32 2d 31 2d 33 | ;1-1-19;2-2-3;2-1-9;2-1-19;2-1-3 |
b75e0 | 32 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d | 2;..5.....3;1-2-3;2-1-1;2-2-3;2- |
b7600 | 31 2d 31 39 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 1-19;..6.....3;1-1-1;1-2-3;2-2-3 |
b7620 | 3b 32 2d 33 2d 31 36 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | ;2-3-16;..7.....3;1-2-3;2-1-1;2- |
b7640 | 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 38 00 2a 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | 2-3;2-1-19;..8.*...3;1-2-3;1-1-1 |
b7660 | 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 32 2d 31 2d 33 32 3b 00 02 39 00 | 9;2-2-3;2-1-9;2-1-19;2-1-32;..9. |
b7680 | 1d 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 33 32 3b 32 2d 32 2d 33 3b | ....19;1-1-3;1-1-9;1-1-32;2-2-3; |
b76a0 | 00 02 31 30 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 | ..10.....9;1-1-19;2-1-3;2-1-32;. |
b76c0 | 02 31 31 00 17 00 00 00 33 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 | .11.....32;1-1-19;2-1-3;2-1-9;.. |
b76e0 | 31 32 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 31 33 | 12.....1;1-1-3;1-3-16;2-2-3;..13 |
b7700 | 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 31 34 00 | .....16;1-1-1;2-1-3;2-2-16;..14. |
b7720 | 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 31 35 00 17 | ....16;1-1-1;2-1-3;2-2-16;..15.. |
b7740 | 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 31 36 00 1d 00 | ...16;1-1-1;2-1-3;2-2-16;..16... |
b7760 | 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 | ..19;1-1-3;1-1-9;1-1-32;2-2-3;.. |
b7780 | 31 37 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 | 17.....9;1-1-19;2-1-3;2-1-32;..1 |
b77a0 | 38 00 17 00 00 00 33 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 39 | 8.....32;1-1-19;2-1-3;2-1-9;..19 |
b77c0 | 00 1c 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b | .....1;1-1-3;1-1-19;2-1-1;2-3-3; |
b77e0 | 00 02 32 30 00 2a 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | ..20.*...3;1-1-1;1-2-3;2-2-3;2-1 |
b7800 | 2d 31 35 3b 32 2d 31 2d 31 36 3b 32 2d 31 2d 31 39 3b 00 02 32 31 00 1c 00 00 00 33 3b 31 2d 32 | -15;2-1-16;2-1-19;..21.....3;1-2 |
b7820 | 2d 33 3b 31 2d 31 2d 31 36 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 32 00 10 00 00 00 31 | -3;1-1-16;2-1-1;2-2-3;..22.....1 |
b7840 | 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 6;1-1-3;2-2-3;..23.....3;1-2-3;2 |
b7860 | 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 32 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | -2-3;2-1-16;..24.....3;1-2-3;2-2 |
b7880 | 2d 33 3b 00 02 32 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 | -3;..25.....3;1-2-3;2-2-3;2-1-15 |
b78a0 | 3b 00 02 32 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 | ;..26.....3;1-2-3;1-1-15;2-1-1;2 |
b78c0 | 2d 32 2d 33 3b 00 02 32 37 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 | -2-3;..27.....15;1-1-3;2-2-3;... |
b78e0 | 02 73 6d 69 6c 65 73 00 40 00 00 00 43 43 4e 28 63 31 63 28 63 63 28 63 63 31 5b 4e 2b 5d 28 3d | .smiles.@...CCN(c1c(cc(cc1[N+](= |
b7900 | 4f 29 5b 4f 2d 5d 29 43 28 46 29 28 46 29 46 29 5b 4e 2b 5d 28 3d 4f 29 5b 4f 2d 5d 29 43 63 31 | O)[O-])C(F)(F)F)[N+](=O)[O-])Cc1 |
b7920 | 63 28 46 29 63 63 63 63 31 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 d2 8a 7d 46 50 01 00 00 | c(F)cccc1Cl..updated_at...}FP... |
b7940 | 09 63 72 65 61 74 65 64 5f 61 74 00 43 81 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.C.}FP....default_fin |
b7960 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 7a 00 00 00 49 6e 43 | gerprint_size......inchi.z...InC |
b7980 | 68 49 3d 31 53 2f 43 31 36 48 31 32 43 6c 46 34 4e 33 4f 34 2f 63 31 2d 32 2d 32 32 28 38 2d 31 | hI=1S/C16H12ClF4N3O4/c1-2-22(8-1 |
b79a0 | 30 2d 31 31 28 31 37 29 34 2d 33 2d 35 2d 31 32 28 31 30 29 31 38 29 31 35 2d 31 33 28 32 33 28 | 0-11(17)4-3-5-12(10)18)15-13(23( |
b79c0 | 32 35 29 32 36 29 36 2d 39 28 31 36 28 31 39 2c 32 30 29 32 31 29 37 2d 31 34 28 31 35 29 32 34 | 25)26)6-9(16(19,20)21)7-14(15)24 |
b79e0 | 28 32 37 29 32 38 2f 68 33 2d 37 48 2c 32 2c 38 48 32 2c 31 48 33 00 00 42 04 00 00 07 5f 69 64 | (27)28/h3-7H,2,8H2,1H3..B...._id |
b7a00 | 00 56 16 24 39 2b 72 ed 30 fb 00 01 25 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V.$9+r.0...%.warnings.......fin |
b7a20 | 67 65 72 70 72 69 6e 74 73 00 0f 03 00 00 04 4d 50 32 44 00 04 03 00 00 02 30 00 0f 00 00 00 31 | gerprints......MP2D......0.....1 |
b7a40 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 | ;1-1-1;2-1-1;..1.....1;1-2-1;2-1 |
b7a60 | 2d 31 3b 00 02 32 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 00 0f 00 00 | -1;..2.....1;1-2-1;2-2-1;..3.... |
b7a80 | 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 34 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 | .1;1-2-1;2-2-1;..4.....1;1-2-1;2 |
b7aa0 | 2d 32 2d 31 3b 00 02 35 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 36 00 16 | -2-1;..5.....1;1-2-1;2-2-1;..6.. |
b7ac0 | 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 37 00 1c 00 00 00 | ...1;1-2-1;2-1-1;2-1-10;..7..... |
b7ae0 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 38 00 22 | 1;1-1-1;1-1-10;2-1-1;2-1-2;..8." |
b7b00 | 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d | ...10;1-1-1;1-1-2;2-1-1;2-1-8;2- |
b7b20 | 31 2d 39 3b 00 02 39 00 22 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 30 | 1-9;..9."...2;1-1-8;1-1-9;1-1-10 |
b7b40 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 30 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d | ;2-1-1;2-1-3;..10.....9;1-1-2;2- |
b7b60 | 31 2d 38 3b 32 2d 31 2d 31 30 3b 00 02 31 31 00 22 00 00 00 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d | 1-8;2-1-10;..11."...8;1-1-2;1-1- |
b7b80 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 30 3b 00 02 31 32 00 22 00 00 00 33 3b | 3;2-2-3;2-1-9;2-1-10;..12."...3; |
b7ba0 | 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 | 1-2-3;1-1-8;2-1-2;2-2-3;2-1-11;. |
b7bc0 | 02 31 33 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d | .13.#...3;1-2-3;2-1-3;2-1-8;2-1- |
b7be0 | 31 31 3b 32 2d 31 2d 31 35 3b 00 02 31 34 00 24 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 | 11;2-1-15;..14.$...3;1-1-3;1-1-1 |
b7c00 | 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 35 00 17 00 00 00 31 | 1;1-1-15;2-1-3;2-1-11;..15.....1 |
b7c20 | 35 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 36 00 1e 00 00 00 31 31 | 5;1-1-3;2-1-3;2-1-11;..16.....11 |
b7c40 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 37 00 | ;1-1-3;1-1-11;2-2-3;2-1-15;..17. |
b7c60 | 17 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 00 02 31 38 00 23 | ....11;1-1-3;1-1-11;2-3-3;..18.# |
b7c80 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 32 2d | ...3;1-2-3;1-1-11;2-3-3;2-1-8;2- |
b7ca0 | 31 2d 31 31 3b 00 02 31 39 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d | 1-11;..19.....3;1-3-3;2-3-3;2-1- |
b7cc0 | 31 31 3b 00 02 32 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 32 31 00 0f | 11;..20.....3;1-2-3;2-3-3;..21.. |
b7ce0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 32 00 0f 00 00 00 33 3b 31 2d 32 2d | ...3;1-2-3;2-2-3;..22.....3;1-2- |
b7d00 | 33 3b 32 2d 32 2d 33 3b 00 02 32 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | 3;2-2-3;..23.....3;1-2-3;2-2-3;. |
b7d20 | 02 32 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 | .24.....3;1-2-3;2-3-3;....smiles |
b7d40 | 00 24 00 00 00 43 43 43 43 43 43 43 43 53 43 28 3d 4f 29 4f 63 31 63 63 28 43 6c 29 6e 6e 63 31 | .$...CCCCCCCCSC(=O)Oc1cc(Cl)nnc1 |
b7d60 | 63 31 63 63 63 63 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 d5 8a 7d 46 50 01 00 00 09 63 72 | c1ccccc1..updated_at...}FP....cr |
b7d80 | 65 61 74 65 64 5f 61 74 00 4a 81 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at.J.}FP....default_finger |
b7da0 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 7f 00 00 00 49 6e 43 68 49 3d | print_size......inchi.....InChI= |
b7dc0 | 31 53 2f 43 31 39 48 32 33 43 6c 4e 32 4f 32 53 2f 63 31 2d 32 2d 33 2d 34 2d 35 2d 36 2d 31 30 | 1S/C19H23ClN2O2S/c1-2-3-4-5-6-10 |
b7de0 | 2d 31 33 2d 32 35 2d 31 39 28 32 33 29 32 34 2d 31 36 2d 31 34 2d 31 37 28 32 30 29 32 31 2d 32 | -13-25-19(23)24-16-14-17(20)21-2 |
b7e00 | 32 2d 31 38 28 31 36 29 31 35 2d 31 31 2d 38 2d 37 2d 39 2d 31 32 2d 31 35 2f 68 37 2d 39 2c 31 | 2-18(16)15-11-8-7-9-12-15/h7-9,1 |
b7e20 | 31 2d 31 32 2c 31 34 48 2c 32 2d 36 2c 31 30 2c 31 33 48 32 2c 31 48 33 00 00 3d 04 00 00 07 5f | 1-12,14H,2-6,10,13H2,1H3..=...._ |
b7e40 | 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 26 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V.$9+r.0...&.warnings.......f |
b7e60 | 69 6e 67 65 72 70 72 69 6e 74 73 00 16 03 00 00 04 4d 50 32 44 00 0b 03 00 00 02 30 00 0f 00 00 | ingerprints......MP2D......0.... |
b7e80 | 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 31 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 | .1;1-1-8;2-1-2;..1.....8;1-1-1;1 |
b7ea0 | 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 32 00 22 00 00 00 32 3b 31 2d 31 2d 31 | -1-2;2-1-1;2-1-9;..2."...2;1-1-1 |
b7ec0 | 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 33 00 15 00 | ;1-1-8;1-1-9;2-2-1;2-1-28;..3... |
b7ee0 | 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 00 2e 00 00 00 31 3b | ..9;1-1-2;2-1-1;2-1-8;..4.....1; |
b7f00 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 | 1-1-1;1-1-2;1-1-28;2-1-2;2-1-3;2 |
b7f20 | 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 00 2e 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -1-8;2-1-9;..5.....28;1-1-1;1-1- |
b7f40 | 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b | 2;1-1-3;2-2-1;2-1-2;2-2-3;2-1-9; |
b7f60 | 00 02 36 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 32 2d 31 | ..6."...3;1-2-3;1-1-28;2-3-1;2-1 |
b7f80 | 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 | -2;2-2-3;..7.....3;1-1-1;1-2-3;2 |
b7fa0 | 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d | -2-3;2-1-28;..8.....1;1-1-3;2-2- |
b7fc0 | 33 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 | 3;..9.....3;1-2-3;2-1-1;2-2-3;.. |
b7fe0 | 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 15 00 00 00 33 3b | 10.....3;1-2-3;2-2-3;..11.....3; |
b8000 | 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 32 00 1c 00 00 00 33 3b 31 2d 31 | 1-2-3;2-1-1;2-2-3;..12.....3;1-1 |
b8020 | 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 0f 00 00 00 31 | -1;1-2-3;2-2-3;2-1-28;..13.....1 |
b8040 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d | ;1-1-3;2-2-3;..14."...2;1-1-1;1- |
b8060 | 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 35 00 16 00 00 00 | 1-9;1-1-28;2-1-1;2-2-3;..15..... |
b8080 | 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 36 00 22 00 00 00 31 3b | 9;1-1-2;2-1-1;2-1-28;..16."...1; |
b80a0 | 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 | 1-1-2;1-1-3;2-2-3;2-1-9;2-1-28;. |
b80c0 | 02 31 37 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d | .17.....3;1-1-1;1-2-3;2-1-2;2-2- |
b80e0 | 33 3b 00 02 31 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | 3;..18.....3;1-2-3;2-1-1;2-2-3;. |
b8100 | 02 31 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 30 00 0f 00 00 00 33 | .19.....3;1-2-3;2-2-3;..20.....3 |
b8120 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;1-2-3;2-2-3;..21.....3;1-2-3;2- |
b8140 | 32 2d 33 3b 00 02 32 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | 2-3;..22.....3;1-2-3;2-1-1;2-2-3 |
b8160 | 3b 00 02 32 33 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 | ;..23.....1;1-1-1;2-1-2;2-1-28;. |
b8180 | 00 00 02 73 6d 69 6c 65 73 00 29 00 00 00 43 4f 43 28 3d 4f 29 43 28 4e 28 63 31 63 28 43 29 63 | ...smiles.)...COC(=O)C(N(c1c(C)c |
b81a0 | 63 63 63 31 43 29 43 28 3d 4f 29 43 63 31 63 63 63 63 63 31 29 43 00 09 75 70 64 61 74 65 64 5f | ccc1C)C(=O)Cc1ccccc1)C..updated_ |
b81c0 | 61 74 00 dc 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 58 81 7d 46 50 01 00 00 10 | at...}FP....created_at.X.}FP.... |
b81e0 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e | default_fingerprint_size......in |
b8200 | 63 68 69 00 6e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 30 48 32 33 4e 4f 33 2f 63 31 2d 31 34 | chi.n...InChI=1S/C20H23NO3/c1-14 |
b8220 | 2d 39 2d 38 2d 31 30 2d 31 35 28 32 29 31 39 28 31 34 29 32 31 28 31 36 28 33 29 32 30 28 32 33 | -9-8-10-15(2)19(14)21(16(3)20(23 |
b8240 | 29 32 34 2d 34 29 31 38 28 32 32 29 31 33 2d 31 37 2d 31 31 2d 36 2d 35 2d 37 2d 31 32 2d 31 37 | )24-4)18(22)13-17-11-6-5-7-12-17 |
b8260 | 2f 68 35 2d 31 32 2c 31 36 48 2c 31 33 48 32 2c 31 2d 34 48 33 00 00 6b 05 00 00 07 5f 69 64 00 | /h5-12,16H,13H2,1-4H3..k...._id. |
b8280 | 56 16 24 39 2b 72 ed 30 fb 00 01 27 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V.$9+r.0...'.warnings.......fing |
b82a0 | 65 72 70 72 69 6e 74 73 00 11 04 00 00 04 4d 50 32 44 00 06 04 00 00 02 30 00 0f 00 00 00 37 3b | erprints......MP2D......0.....7; |
b82c0 | 31 2d 31 2d 34 3b 32 2d 31 2d 31 3b 00 02 31 00 1b 00 00 00 34 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 1-1-4;2-1-1;..1.....4;1-1-1;1-1- |
b82e0 | 37 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 00 27 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d | 7;2-1-3;2-1-8;..2.'...1;1-1-3;1- |
b8300 | 31 2d 34 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 37 3b 00 02 33 00 | 1-4;1-1-8;2-1-2;2-2-3;2-1-7;..3. |
b8320 | 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 34 3b 32 2d | !...3;1-1-1;1-2-3;2-2-3;2-1-4;2- |
b8340 | 31 2d 38 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | 1-8;..4.....3;1-2-3;2-1-1;2-2-3; |
b8360 | 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 33 3b | ..5.....3;1-2-3;2-2-3;..6.....3; |
b8380 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d | 1-2-3;2-2-3;2-1-8;..7.....3;1-2- |
b83a0 | 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 38 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 3;1-1-8;2-3-3;..8.....3;1-2-3;2- |
b83c0 | 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 0f 00 00 00 38 3b 31 2d 32 2d 33 3b | 1-1;2-2-3;2-1-8;..9.....8;1-2-3; |
b83e0 | 32 2d 34 2d 33 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 | 2-4-3;..10.....3;1-2-3;1-1-8;2-3 |
b8400 | 2d 33 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b | -3;..11.....3;1-2-3;2-2-3;2-1-8; |
b8420 | 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 | ..12.....3;1-2-3;2-2-3;..13..... |
b8440 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-2-3;2-2-3;..14.....3;1-2-3;2 |
b8460 | 2d 32 2d 33 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | -2-3;..15.....3;1-2-3;2-2-3;2-1- |
b8480 | 38 3b 00 02 31 36 00 27 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 | 8;..16.'...8;1-1-1;1-1-2;2-1-1;2 |
b84a0 | 2d 31 2d 33 3b 32 2d 31 2d 34 3b 32 2d 31 2d 39 3b 00 02 31 37 00 21 00 00 00 32 3b 31 2d 31 2d | -1-3;2-1-4;2-1-9;..17.!...2;1-1- |
b84c0 | 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 38 00 15 | 1;1-1-8;1-1-9;2-2-1;2-1-3;..18.. |
b84e0 | 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 39 00 2d 00 00 00 | ...9;1-1-2;2-1-1;2-1-8;..19.-... |
b8500 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b | 1;1-1-1;1-1-2;1-1-3;2-2-1;2-2-3; |
b8520 | 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 30 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 | 2-1-8;2-1-9;..20.!...3;1-1-1;1-2 |
b8540 | 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 31 00 15 00 00 00 33 3b | -3;2-1-1;2-1-2;2-2-3;..21.....3; |
b8560 | 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 32 00 15 00 00 00 33 3b 31 2d 32 | 1-2-3;2-1-1;2-2-3;..22.....3;1-2 |
b8580 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 33 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-2-3;2-1-8;..23.....3;1-2-3; |
b85a0 | 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 34 00 15 00 00 00 33 3b 31 2d 32 | 1-1-8;2-1-1;2-2-3;..24.....3;1-2 |
b85c0 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-2-3;2-1-8;..25.....3;1-2-3; |
b85e0 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 36 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-1-1;2-2-3;..26.....8;1-1-1;1-1 |
b8600 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 37 00 16 00 00 00 31 3b 31 2d 31 2d 38 | -3;2-2-3;2-2-16;..27.....1;1-1-8 |
b8620 | 3b 31 2d 32 2d 31 36 3b 32 2d 31 2d 33 3b 00 02 32 38 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b | ;1-2-16;2-1-3;..28.....16;1-1-1; |
b8640 | 32 2d 31 2d 38 3b 32 2d 31 2d 31 36 3b 00 02 32 39 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 | 2-1-8;2-1-16;..29.....16;1-1-1;2 |
b8660 | 2d 31 2d 38 3b 32 2d 31 2d 31 36 3b 00 02 33 30 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 | -1-8;2-1-16;..30.....1;1-3-1;2-1 |
b8680 | 2d 32 3b 32 2d 31 2d 33 3b 00 02 33 31 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b | -2;2-1-3;..31.....1;1-1-1;2-2-1; |
b86a0 | 00 02 33 32 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 | ..32.....1;1-1-1;2-2-1;....smile |
b86c0 | 73 00 38 00 00 00 4e 23 43 43 28 63 31 63 63 63 63 28 63 31 29 4f 63 31 63 63 63 63 63 31 29 4f | s.8...N#CC(c1cccc(c1)Oc1ccccc1)O |
b86e0 | 43 28 3d 4f 29 43 28 63 31 63 63 63 28 63 63 31 29 4f 43 28 46 29 46 29 43 28 43 29 43 00 09 75 | C(=O)C(c1ccc(cc1)OC(F)F)C(C)C..u |
b8700 | 70 64 61 74 65 64 5f 61 74 00 de 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 60 81 | pdated_at...}FP....created_at.`. |
b8720 | 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | }FP....default_fingerprint_size. |
b8740 | 00 00 00 00 02 69 6e 63 68 69 00 92 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 36 48 32 33 46 32 | .....inchi.....InChI=1S/C26H23F2 |
b8760 | 4e 4f 34 2f 63 31 2d 31 37 28 32 29 32 34 28 31 38 2d 31 31 2d 31 33 2d 32 31 28 31 34 2d 31 32 | NO4/c1-17(2)24(18-11-13-21(14-12 |
b8780 | 2d 31 38 29 33 32 2d 32 36 28 32 37 29 32 38 29 32 35 28 33 30 29 33 33 2d 32 33 28 31 36 2d 32 | -18)32-26(27)28)25(30)33-23(16-2 |
b87a0 | 39 29 31 39 2d 37 2d 36 2d 31 30 2d 32 32 28 31 35 2d 31 39 29 33 31 2d 32 30 2d 38 2d 34 2d 33 | 9)19-7-6-10-22(15-19)31-20-8-4-3 |
b87c0 | 2d 35 2d 39 2d 32 30 2f 68 33 2d 31 35 2c 31 37 2c 32 33 2d 32 34 2c 32 36 48 2c 31 2d 32 48 33 | -5-9-20/h3-15,17,23-24,26H,1-2H3 |
b87e0 | 00 00 6a 03 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 28 04 77 61 72 6e 69 6e 67 73 | ..j...._id.V.$9+r.0...(.warnings |
b8800 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 64 02 00 00 04 4d 50 32 44 00 59 02 | .......fingerprints.d....MP2D.Y. |
b8820 | 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 | ...0.....15;1-1-3;2-2-3;..1..... |
b8840 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 | 3;1-2-3;1-1-15;2-3-3;..2.....3;1 |
b8860 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 33 00 0f 00 00 00 33 3b 31 2d 32 2d | -2-3;2-2-3;2-1-15;..3.....3;1-2- |
b8880 | 33 3b 32 2d 32 2d 33 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 | 3;2-2-3;..4.....3;1-2-3;2-2-3;.. |
b88a0 | 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 36 00 1d 00 00 00 33 3b 31 2d | 5.....3;1-2-3;2-3-3;..6.....3;1- |
b88c0 | 33 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 31 35 3b 00 02 37 00 1d 00 00 00 | 3-3;2-2-3;2-2-11;2-1-15;..7..... |
b88e0 | 33 3b 31 2d 31 2d 33 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 38 00 | 3;1-1-3;1-2-11;2-2-3;2-2-11;..8. |
b8900 | 1e 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 | ....11;1-1-3;1-1-11;2-2-3;2-1-11 |
b8920 | 3b 00 02 39 00 1e 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 | ;..9.....11;1-1-3;1-1-11;2-2-3;2 |
b8940 | 2d 31 2d 31 31 3b 00 02 31 30 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 32 2d 31 31 3b 32 2d | -1-11;..10.....3;1-1-3;1-2-11;2- |
b8960 | 32 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 31 00 1e 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 | 2-3;2-2-11;..11.....11;1-1-3;1-1 |
b8980 | 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 32 00 1e 00 00 00 31 31 3b 31 2d 31 | -11;2-2-3;2-1-11;..12.....11;1-1 |
b89a0 | 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 33 00 1d 00 00 00 | -3;1-1-11;2-2-3;2-1-11;..13..... |
b89c0 | 33 3b 31 2d 33 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 31 35 3b 00 02 31 34 | 3;1-3-3;2-2-3;2-2-11;2-1-15;..14 |
b89e0 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d | .....3;1-2-3;2-3-3;..15.....3;1- |
b8a00 | 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 2-3;2-2-3;..16.....3;1-2-3;2-2-3 |
b8a20 | 3b 00 02 31 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 | ;..17.....3;1-2-3;2-2-3;2-1-15;. |
b8a40 | 02 31 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d 33 3b 00 02 31 | .18.....3;1-2-3;1-1-15;2-3-3;..1 |
b8a60 | 39 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 | 9.....15;1-1-3;2-2-3;....smiles. |
b8a80 | 1f 00 00 00 43 6c 63 31 63 63 63 63 63 31 63 31 6e 6e 63 28 6e 6e 31 29 63 31 63 63 63 63 63 31 | ....Clc1ccccc1c1nnc(nn1)c1ccccc1 |
b8aa0 | 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 b0 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | Cl..updated_at...}FP....created_ |
b8ac0 | 61 74 00 67 81 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at.g.}FP....default_fingerprint_ |
b8ae0 | 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 57 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 | size......inchi.W...InChI=1S/C14 |
b8b00 | 48 38 43 6c 32 4e 34 2f 63 31 35 2d 31 31 2d 37 2d 33 2d 31 2d 35 2d 39 28 31 31 29 31 33 2d 31 | H8Cl2N4/c15-11-7-3-1-5-9(11)13-1 |
b8b20 | 37 2d 31 39 2d 31 34 28 32 30 2d 31 38 2d 31 33 29 31 30 2d 36 2d 32 2d 34 2d 38 2d 31 32 28 31 | 7-19-14(20-18-13)10-6-2-4-8-12(1 |
b8b40 | 30 29 31 36 2f 68 31 2d 38 48 00 00 c4 03 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 | 0)16/h1-8H......._id.V.$9+r.0... |
b8b60 | 29 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a2 02 | ).warnings.......fingerprints... |
b8b80 | 00 00 04 4d 50 32 44 00 97 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 | ...MP2D......0.....1;1-1-1;2-1-8 |
b8ba0 | 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 32 | ;..1.....1;1-1-1;1-1-8;2-1-2;..2 |
b8bc0 | 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 | ."...8;1-1-1;1-1-2;2-1-1;2-1-9;2 |
b8be0 | 2d 31 2d 32 38 3b 00 02 33 00 1c 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d | -1-28;..3.....2;1-1-8;1-1-9;1-1- |
b8c00 | 32 38 3b 32 2d 32 2d 31 3b 00 02 34 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 | 28;2-2-1;..4.....9;1-1-2;2-1-8;2 |
b8c20 | 2d 31 2d 32 38 3b 00 02 35 00 22 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 | -1-28;..5."...28;1-1-1;1-1-2;2-1 |
b8c40 | 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 36 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | -1;2-1-8;2-1-9;..6.....1;1-1-1;1 |
b8c60 | 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 37 00 1c 00 00 00 31 3b 31 2d 31 2d | -1-28;2-1-2;2-1-8;..7.....1;1-1- |
b8c80 | 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 38 00 1b 00 00 00 38 3b 31 | 1;1-1-8;2-1-3;2-1-28;..8.....8;1 |
b8ca0 | 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 1b 00 00 00 33 | -1-1;1-1-3;2-1-1;2-2-3;..9.....3 |
b8cc0 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 15 00 | ;1-2-3;1-1-8;2-1-1;2-2-3;..10... |
b8ce0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 31 00 15 00 00 00 33 | ..3;1-2-3;2-2-3;2-1-8;..11.....3 |
b8d00 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 32 00 15 00 00 00 33 3b 31 2d | ;1-2-3;2-2-3;2-1-8;..12.....3;1- |
b8d20 | 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;1-1-8;2-3-3;..13.....3;1-2-3 |
b8d40 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-3;2-1-8;..14.....3;1-2-3;2- |
b8d60 | 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 35 00 0f 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 | 2-3;2-1-8;..15.....8;1-2-3;2-4-3 |
b8d80 | 3b 00 02 31 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 | ;..16.....3;1-2-3;1-1-8;2-3-3;.. |
b8da0 | 31 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 38 00 | 17.....3;1-2-3;2-2-3;2-1-8;..18. |
b8dc0 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 39 00 0f 00 00 00 33 3b 31 2d 32 | ....3;1-2-3;2-2-3;..19.....3;1-2 |
b8de0 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | -3;2-2-3;..20.....3;1-2-3;2-2-3; |
b8e00 | 00 02 32 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 00 00 | ..21.....3;1-2-3;2-2-3;2-1-8;... |
b8e20 | 02 73 6d 69 6c 65 73 00 20 00 00 00 43 43 4f 43 28 3d 4f 29 4e 43 43 4f 63 31 63 63 63 28 63 63 | .smiles.....CCOC(=O)NCCOc1ccc(cc |
b8e40 | 31 29 4f 63 31 63 63 63 63 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 e3 8a 7d 46 50 01 00 00 | 1)Oc1ccccc1..updated_at...}FP... |
b8e60 | 09 63 72 65 61 74 65 64 5f 61 74 00 6e 81 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.n.}FP....default_fin |
b8e80 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 72 00 00 00 49 6e 43 | gerprint_size......inchi.r...InC |
b8ea0 | 68 49 3d 31 53 2f 43 31 37 48 31 39 4e 4f 34 2f 63 31 2d 32 2d 32 30 2d 31 37 28 31 39 29 31 38 | hI=1S/C17H19NO4/c1-2-20-17(19)18 |
b8ec0 | 2d 31 32 2d 31 33 2d 32 31 2d 31 34 2d 38 2d 31 30 2d 31 36 28 31 31 2d 39 2d 31 34 29 32 32 2d | -12-13-21-14-8-10-16(11-9-14)22- |
b8ee0 | 31 35 2d 36 2d 34 2d 33 2d 35 2d 37 2d 31 35 2f 68 33 2d 31 31 48 2c 32 2c 31 32 2d 31 33 48 32 | 15-6-4-3-5-7-15/h3-11H,2,12-13H2 |
b8f00 | 2c 31 48 33 2c 28 48 2c 31 38 2c 31 39 29 00 00 e7 03 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed | ,1H3,(H,18,19)......._id.V.$9+r. |
b8f20 | 30 fb 00 01 2a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | 0...*.warnings.......fingerprint |
b8f40 | 73 00 cd 02 00 00 04 4d 50 32 44 00 c2 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 | s......MP2D......0.....1;1-1-1;2 |
b8f60 | 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 | -1-8;..1.....1;1-1-1;1-1-8;2-1-2 |
b8f80 | 3b 00 02 32 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 | ;..2.....8;1-1-1;1-1-2;2-2-1;2-1 |
b8fa0 | 2d 39 3b 00 02 33 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 | -9;..3."...2;1-1-1;1-1-8;1-1-9;2 |
b8fc0 | 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d | -1-1;2-1-28;..4.....9;1-1-2;2-1- |
b8fe0 | 31 3b 32 2d 31 2d 38 3b 00 02 35 00 28 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 32 38 3b 32 | 1;2-1-8;..5.(...1;1-1-2;1-1-28;2 |
b9000 | 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 36 00 2e 00 00 00 32 | -1-2;2-1-3;2-1-8;2-1-9;..6.....2 |
b9020 | 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b | 8;1-1-1;1-1-2;1-1-3;2-1-1;2-1-2; |
b9040 | 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 37 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 2-2-3;2-1-9;..7."...3;1-2-3;1-1- |
b9060 | 32 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 38 00 22 00 00 00 33 3b 31 | 28;2-3-1;2-1-2;2-2-3;..8."...3;1 |
b9080 | 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 | -1-1;1-2-3;2-1-1;2-2-3;2-1-28;.. |
b90a0 | 39 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 0f | 9.....1;1-1-1;1-1-3;2-2-3;..10.. |
b90c0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d | ...1;1-1-1;2-1-3;..11.....3;1-2- |
b90e0 | 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;2-1-1;2-2-3;..12.....3;1-2-3;2 |
b9100 | 2d 32 2d 33 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | -2-3;..13.....3;1-2-3;2-1-1;2-2- |
b9120 | 33 3b 00 02 31 34 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 | 3;..14."...3;1-1-1;1-2-3;2-1-1;2 |
b9140 | 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 35 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | -2-3;2-1-28;..15.....1;1-1-1;1-1 |
b9160 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b | -3;2-2-3;..16.....1;1-1-1;2-1-3; |
b9180 | 00 02 31 37 00 29 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d | ..17.)...2;1-1-1;1-1-9;1-1-28;2- |
b91a0 | 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 38 00 16 00 00 00 39 3b 31 2d 31 2d | 1-1;2-1-3;2-1-15;..18.....9;1-1- |
b91c0 | 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 39 00 1d 00 00 00 31 3b 31 2d 31 2d 32 3b | 2;2-1-1;2-1-28;..19.....1;1-1-2; |
b91e0 | 31 2d 31 2d 31 35 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 32 30 00 10 00 00 00 31 35 3b | 1-1-15;2-1-9;2-1-28;..20.....15; |
b9200 | 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 23 00 00 00 43 43 4f 43 28 | 1-1-1;2-1-2;....smiles.#...CCOC( |
b9220 | 3d 4f 29 43 4e 28 63 31 63 28 43 43 29 63 63 63 63 31 43 43 29 43 28 3d 4f 29 43 43 6c 00 09 75 | =O)CN(c1c(CC)cccc1CC)C(=O)CCl..u |
b9240 | 70 64 61 74 65 64 5f 61 74 00 e5 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 74 81 | pdated_at...}FP....created_at.t. |
b9260 | 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | }FP....default_fingerprint_size. |
b9280 | 00 00 00 00 02 69 6e 63 68 69 00 67 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 36 48 32 32 43 6c | .....inchi.g...InChI=1S/C16H22Cl |
b92a0 | 4e 4f 33 2f 63 31 2d 34 2d 31 32 2d 38 2d 37 2d 39 2d 31 33 28 35 2d 32 29 31 36 28 31 32 29 31 | NO3/c1-4-12-8-7-9-13(5-2)16(12)1 |
b92c0 | 38 28 31 34 28 31 39 29 31 30 2d 31 37 29 31 31 2d 31 35 28 32 30 29 32 31 2d 36 2d 33 2f 68 37 | 8(14(19)10-17)11-15(20)21-6-3/h7 |
b92e0 | 2d 39 48 2c 34 2d 36 2c 31 30 2d 31 31 48 32 2c 31 2d 33 48 33 00 00 9b 04 00 00 07 5f 69 64 00 | -9H,4-6,10-11H2,1-3H3......._id. |
b9300 | 56 16 24 39 2b 72 ed 30 fb 00 01 2b 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V.$9+r.0...+.warnings.......fing |
b9320 | 65 72 70 72 69 6e 74 73 00 66 03 00 00 04 4d 50 32 44 00 5b 03 00 00 02 30 00 0f 00 00 00 31 3b | erprints.f....MP2D.[....0.....1; |
b9340 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d | 1-1-1;2-1-1;..1.....1;1-2-1;2-1- |
b9360 | 31 3b 00 02 32 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 | 1;..2.....1;1-2-1;2-1-1;2-1-5;.. |
b9380 | 33 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 30 | 3.....1;1-1-1;1-1-5;2-2-1;2-1-10 |
b93a0 | 3b 00 02 34 00 1d 00 00 00 35 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 31 3b 32 2d | ;..4.....5;1-2-1;1-1-10;2-2-1;2- |
b93c0 | 31 2d 32 38 3b 00 02 35 00 1d 00 00 00 31 30 3b 31 2d 31 2d 35 3b 31 2d 31 2d 32 38 3b 32 2d 33 | 1-28;..5.....10;1-1-5;1-1-28;2-3 |
b93e0 | 2d 31 3b 32 2d 31 2d 32 3b 00 02 36 00 29 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | -1;2-1-2;..6.)...28;1-1-1;1-1-2; |
b9400 | 31 2d 31 2d 31 30 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 37 00 29 00 00 | 1-1-10;2-1-5;2-1-8;2-1-9;..7.).. |
b9420 | 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d | .2;1-1-8;1-1-9;1-1-28;2-1-1;2-1- |
b9440 | 33 3b 32 2d 31 2d 31 30 3b 00 02 38 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 | 3;2-1-10;..8.....9;1-1-2;2-1-8;2 |
b9460 | 2d 31 2d 32 38 3b 00 02 39 00 22 00 00 00 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d | -1-28;..9."...8;1-1-2;1-1-3;2-2- |
b9480 | 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b | 3;2-1-9;2-1-28;..10.!...3;1-2-3; |
b94a0 | 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 31 00 15 00 00 | 1-1-8;2-1-2;2-2-3;2-1-8;..11.... |
b94c0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 32 00 0f 00 00 00 33 3b | .3;1-2-3;2-2-3;2-1-8;..12.....3; |
b94e0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | 1-2-3;2-2-3;..13.....3;1-2-3;2-1 |
b9500 | 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 34 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b | -1;2-2-3;..14.!...3;1-1-1;1-2-3; |
b9520 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 35 00 21 00 00 00 33 3b 31 2d 32 | 2-1-1;2-2-3;2-1-8;..15.!...3;1-2 |
b9540 | 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 36 00 | -3;1-1-8;2-2-1;2-2-3;2-1-8;..16. |
b9560 | 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 33 2d 31 3b 32 2d 32 2d 33 3b 00 02 | ....8;1-1-1;1-1-3;2-3-1;2-2-3;.. |
b9580 | 31 37 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 00 02 31 38 00 | 17.....1;1-3-1;1-1-8;2-2-3;..18. |
b95a0 | 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d | !...1;1-1-1;1-1-3;2-2-1;2-2-3;2- |
b95c0 | 31 2d 38 3b 00 02 31 39 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 | 1-8;..19.....1;1-1-1;2-2-1;2-1-8 |
b95e0 | 3b 00 02 32 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 | ;..20.....1;1-1-1;2-2-1;2-1-8;.. |
b9600 | 32 31 00 17 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 30 3b 00 02 32 | 21.....1;1-1-28;2-1-2;2-1-10;..2 |
b9620 | 32 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 30 | 2.....1;1-1-1;1-1-5;2-2-1;2-1-10 |
b9640 | 3b 00 02 32 33 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 | ;..23.....1;1-2-1;2-1-1;2-1-5;.. |
b9660 | 32 34 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 35 00 0f 00 00 00 31 3b | 24.....1;1-2-1;2-1-1;..25.....1; |
b9680 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 2a 00 00 00 43 43 43 43 4e | 1-1-1;2-1-1;....smiles.*...CCCCN |
b96a0 | 28 53 4e 28 43 28 3d 4f 29 4f 63 31 63 63 63 63 32 63 31 4f 43 28 43 32 29 28 43 29 43 29 43 29 | (SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C) |
b96c0 | 43 43 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 e8 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 | CCCC..updated_at...}FP....create |
b96e0 | 64 5f 61 74 00 7b 81 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.{.}FP....default_fingerprin |
b9700 | 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 7b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.{...InChI=1S/C |
b9720 | 32 30 48 33 32 4e 32 4f 33 53 2f 63 31 2d 36 2d 38 2d 31 33 2d 32 32 28 31 34 2d 39 2d 37 2d 32 | 20H32N2O3S/c1-6-8-13-22(14-9-7-2 |
b9740 | 29 32 36 2d 32 31 28 35 29 31 39 28 32 33 29 32 34 2d 31 37 2d 31 32 2d 31 30 2d 31 31 2d 31 36 | )26-21(5)19(23)24-17-12-10-11-16 |
b9760 | 2d 31 35 2d 32 30 28 33 2c 34 29 32 35 2d 31 38 28 31 36 29 31 37 2f 68 31 30 2d 31 32 48 2c 36 | -15-20(3,4)25-18(16)17/h10-12H,6 |
b9780 | 2d 39 2c 31 33 2d 31 35 48 32 2c 31 2d 35 48 33 00 00 ae 04 00 00 07 5f 69 64 00 56 16 24 39 2b | -9,13-15H2,1-5H3......._id.V.$9+ |
b97a0 | 72 ed 30 fb 00 01 2c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.0...,.warnings.......fingerpri |
b97c0 | 6e 74 73 00 71 03 00 00 04 4d 50 32 44 00 66 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 | nts.q....MP2D.f....0.....1;1-1-1 |
b97e0 | 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 | ;2-1-1;..1.....1;1-2-1;2-1-1;..2 |
b9800 | 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 00 1b 00 00 | .....1;1-2-1;2-1-1;2-1-8;..3.... |
b9820 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 00 1b | .1;1-1-1;1-1-8;2-1-1;2-1-2;..4.. |
b9840 | 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 35 | ...8;1-1-1;1-1-2;2-2-1;2-1-9;..5 |
b9860 | 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 | .!...2;1-1-1;1-1-8;1-1-9;2-2-1;2 |
b9880 | 2d 31 2d 38 3b 00 02 36 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 | -1-8;..6.....9;1-1-2;2-1-1;2-1-8 |
b98a0 | 3b 00 02 37 00 27 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 | ;..7.'...1;1-1-1;1-1-2;1-1-8;2-1 |
b98c0 | 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 38 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 | -3;2-1-8;2-1-9;..8.!...8;1-1-1;1 |
b98e0 | 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 39 00 1b 00 00 00 33 | -1-3;2-1-1;2-1-2;2-2-3;..9.....3 |
b9900 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 15 00 | ;1-2-3;1-1-8;2-1-1;2-2-3;..10... |
b9920 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 31 00 15 00 00 00 33 | ..3;1-2-3;2-2-3;2-1-8;..11.....3 |
b9940 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 32 00 15 00 00 00 33 3b 31 2d | ;1-2-3;2-2-3;2-1-8;..12.....3;1- |
b9960 | 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;1-1-8;2-3-3;..13.....3;1-2-3 |
b9980 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-3;2-1-8;..14.....3;1-2-3;2- |
b99a0 | 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 35 00 16 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 | 2-3;2-1-8;..15.....8;1-2-3;2-3-3 |
b99c0 | 3b 32 2d 31 2d 31 31 3b 00 02 31 36 00 1c 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 | ;2-1-11;..16.....3;1-1-3;1-1-8;1 |
b99e0 | 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 00 02 31 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | -1-11;2-3-3;..17.....3;1-2-3;2-1 |
b9a00 | 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 31 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 | -3;2-1-8;2-1-11;..18.....3;1-2-3 |
b9a20 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 39 00 23 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d | ;2-1-1;2-2-3;..19.#...3;1-1-1;1- |
b9a40 | 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 33 2d 31 36 3b 00 02 32 30 00 1c 00 00 | 2-3;2-1-3;2-1-11;2-3-16;..20.... |
b9a60 | 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 31 | .3;1-1-3;1-1-11;2-1-1;2-2-3;..21 |
b9a80 | 00 16 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 32 00 16 | .....11;1-2-3;2-2-3;2-1-8;..22.. |
b9aa0 | 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 32 33 00 17 00 00 | ...1;1-1-3;1-3-16;2-2-3;..23.... |
b9ac0 | 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 34 00 17 00 00 00 | .16;1-1-1;2-1-3;2-2-16;..24..... |
b9ae0 | 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 35 00 17 00 00 00 31 | 16;1-1-1;2-1-3;2-2-16;..25.....1 |
b9b00 | 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 36 00 15 00 00 00 31 3b | 6;1-1-1;2-1-3;2-2-16;..26.....1; |
b9b20 | 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 2d 00 00 | 1-1-1;2-1-2;2-1-8;....smiles.-.. |
b9b40 | 00 43 43 43 43 4f 43 28 3d 4f 29 43 28 4f 63 31 63 63 63 28 63 63 31 29 4f 63 31 63 63 63 28 63 | .CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(c |
b9b60 | 6e 31 29 43 28 46 29 28 46 29 46 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 ea 8a 7d 46 50 01 | n1)C(F)(F)F)C..updated_at...}FP. |
b9b80 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 83 81 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at...}FP....default_f |
b9ba0 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 80 00 00 00 49 | ingerprint_size......inchi.....I |
b9bc0 | 6e 43 68 49 3d 31 53 2f 43 31 39 48 32 30 46 33 4e 4f 34 2f 63 31 2d 33 2d 34 2d 31 31 2d 32 35 | nChI=1S/C19H20F3NO4/c1-3-4-11-25 |
b9be0 | 2d 31 38 28 32 34 29 31 33 28 32 29 32 36 2d 31 35 2d 36 2d 38 2d 31 36 28 39 2d 37 2d 31 35 29 | -18(24)13(2)26-15-6-8-16(9-7-15) |
b9c00 | 32 37 2d 31 37 2d 31 30 2d 35 2d 31 34 28 31 32 2d 32 33 2d 31 37 29 31 39 28 32 30 2c 32 31 29 | 27-17-10-5-14(12-23-17)19(20,21) |
b9c20 | 32 32 2f 68 35 2d 31 30 2c 31 32 2d 31 33 48 2c 33 2d 34 2c 31 31 48 32 2c 31 2d 32 48 33 00 00 | 22/h5-10,12-13H,3-4,11H2,1-2H3.. |
b9c40 | 64 02 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 2d 04 77 61 72 6e 69 6e 67 73 00 05 | d...._id.V.$9+r.0...-.warnings.. |
b9c60 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 82 01 00 00 04 4d 50 32 44 00 77 01 00 00 | .....fingerprints......MP2D.w... |
b9c80 | 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 38 3b 31 | .0.....1;1-1-8;2-1-3;..1.....8;1 |
b9ca0 | 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 22 00 00 00 33 3b 31 2d 32 2d 33 | -1-1;1-1-3;2-2-3;..2."...3;1-2-3 |
b9cc0 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 33 00 1c 00 | ;1-1-8;2-1-1;2-2-3;2-1-15;..3... |
b9ce0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 35 3b 00 02 34 | ..3;1-2-3;2-2-3;2-1-8;2-1-15;..4 |
b9d00 | 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b | .....3;1-2-3;1-1-15;2-2-3;2-1-8; |
b9d20 | 00 02 35 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 22 00 00 00 33 | ..5.....15;1-1-3;2-2-3;..6."...3 |
b9d40 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b | ;1-2-3;1-1-8;2-1-1;2-2-3;2-1-15; |
b9d60 | 00 02 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d | ..7.....3;1-2-3;2-2-3;2-1-8;2-1- |
b9d80 | 31 35 3b 00 02 38 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b | 15;..8.....3;1-2-3;1-1-15;2-2-3; |
b9da0 | 32 2d 31 2d 38 3b 00 02 39 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | 2-1-8;..9.....15;1-1-3;2-2-3;..1 |
b9dc0 | 30 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 0f | 0.....8;1-1-1;1-1-3;2-2-3;..11.. |
b9de0 | 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 15 00 00 00 | ...1;1-1-8;2-1-3;....smiles..... |
b9e00 | 43 4f 63 31 63 63 28 43 6c 29 63 28 63 63 31 43 6c 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 | COc1cc(Cl)c(cc1Cl)OC..updated_at |
b9e20 | 00 ed 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 89 81 7d 46 50 01 00 00 10 64 65 | ...}FP....created_at...}FP....de |
b9e40 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 | fault_fingerprint_size......inch |
b9e60 | 69 00 3d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 38 43 6c 32 4f 32 2f 63 31 2d 31 31 2d 37 | i.=...InChI=1S/C8H8Cl2O2/c1-11-7 |
b9e80 | 2d 33 2d 36 28 31 30 29 38 28 31 32 2d 32 29 34 2d 35 28 37 29 39 2f 68 33 2d 34 48 2c 31 2d 32 | -3-6(10)8(12-2)4-5(7)9/h3-4H,1-2 |
b9ea0 | 48 33 00 00 9b 03 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 2e 04 77 61 72 6e 69 6e | H3......._id.V.$9+r.0.....warnin |
b9ec0 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 93 02 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
b9ee0 | 88 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 16 00 00 | .....0.....1;1-1-1;2-1-8;..1.... |
b9f00 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 32 00 23 00 00 00 38 3b | .1;1-1-1;1-1-8;2-1-12;..2.#...8; |
b9f20 | 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b | 1-1-1;1-1-12;2-1-1;2-2-8;2-1-18; |
b9f40 | 00 02 33 00 1d 00 00 00 31 32 3b 31 2d 33 2d 38 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 31 3b 32 2d | ..3.....12;1-3-8;1-1-18;2-2-1;2- |
b9f60 | 31 2d 33 3b 00 02 34 00 11 00 00 00 31 38 3b 31 2d 31 2d 31 32 3b 32 2d 33 2d 38 3b 00 02 35 00 | 1-3;..4.....18;1-1-12;2-3-8;..5. |
b9f80 | 24 00 00 00 38 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 32 2d 31 31 3b | $...8;1-1-3;1-1-12;2-2-8;2-2-11; |
b9fa0 | 32 2d 31 2d 31 38 3b 00 02 36 00 24 00 00 00 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 31 31 3b 32 2d | 2-1-18;..6.$...3;1-1-8;1-2-11;2- |
b9fc0 | 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 32 3b 00 02 37 00 2a 00 00 00 31 31 3b 31 2d 31 | 1-3;2-1-11;2-1-12;..7.*...11;1-1 |
b9fe0 | 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d | -3;1-1-11;2-1-1;2-1-3;2-1-8;2-1- |
ba000 | 31 31 3b 00 02 38 00 31 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 | 11;..8.1...11;1-1-1;1-1-3;1-1-11 |
ba020 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 35 3b 00 02 39 00 24 | ;2-2-1;2-1-3;2-1-11;2-1-15;..9.$ |
ba040 | 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 | ...3;1-2-11;1-1-15;2-1-1;2-1-3;2 |
ba060 | 2d 31 2d 31 31 3b 00 02 31 30 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d | -1-11;..10.....11;1-2-3;2-1-8;2- |
ba080 | 32 2d 31 31 3b 32 2d 31 2d 31 35 3b 00 02 31 31 00 11 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d | 2-11;2-1-15;..11.....15;1-1-3;2- |
ba0a0 | 32 2d 31 31 3b 00 02 31 32 00 1d 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 31 3b 32 2d 31 | 2-11;..12.....1;1-2-1;1-1-11;2-1 |
ba0c0 | 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 33 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 | -3;2-1-11;..13.....1;1-1-1;2-1-1 |
ba0e0 | 3b 32 2d 31 2d 31 31 3b 00 02 31 34 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 | ;2-1-11;..14.....1;1-1-1;2-1-1;2 |
ba100 | 2d 31 2d 31 31 3b 00 02 31 35 00 23 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d | -1-11;..15.#...8;1-1-1;1-1-12;2- |
ba120 | 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 31 36 00 16 00 00 00 31 3b 31 2d 31 2d | 1-1;2-2-8;2-1-18;..16.....1;1-1- |
ba140 | 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 37 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b | 1;1-1-8;2-1-12;..17.....1;1-1-1; |
ba160 | 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 21 00 00 00 43 43 4f 50 28 3d 53 29 28 4f 63 | 2-1-8;....smiles.!...CCOP(=S)(Oc |
ba180 | 31 6e 6e 28 63 28 6e 31 29 43 6c 29 43 28 43 29 43 29 4f 43 43 00 09 75 70 64 61 74 65 64 5f 61 | 1nn(c(n1)Cl)C(C)C)OCC..updated_a |
ba1a0 | 74 00 ef 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 8f 81 7d 46 50 01 00 00 10 64 | t...}FP....created_at...}FP....d |
ba1c0 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 | efault_fingerprint_size......inc |
ba1e0 | 68 69 00 57 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 37 43 6c 4e 33 4f 33 50 53 2f 63 31 | hi.W...InChI=1S/C9H17ClN3O3PS/c1 |
ba200 | 2d 35 2d 31 34 2d 31 37 28 31 38 2c 31 35 2d 36 2d 32 29 31 36 2d 39 2d 31 31 2d 38 28 31 30 29 | -5-14-17(18,15-6-2)16-9-11-8(10) |
ba220 | 31 33 28 31 32 2d 39 29 37 28 33 29 34 2f 68 37 48 2c 35 2d 36 48 32 2c 31 2d 34 48 33 00 00 d1 | 13(12-9)7(3)4/h7H,5-6H2,1-4H3... |
ba240 | 02 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 2f 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V.$9+r.0.../.warnings... |
ba260 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 d0 01 00 00 04 4d 50 32 44 00 c5 01 00 00 02 | ....fingerprints......MP2D...... |
ba280 | 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 00 16 00 00 00 31 3b 31 | 0.....1;1-1-1;2-1-19;..1.....1;1 |
ba2a0 | 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 00 02 32 00 1d 00 00 00 31 39 3b 31 2d 31 | -1-1;1-1-19;2-1-3;..2.....19;1-1 |
ba2c0 | 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 31 3b 00 02 33 00 1d 00 00 00 33 3b | -1;1-1-3;2-1-1;2-2-11;..3.....3; |
ba2e0 | 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 18 00 | 1-2-11;1-1-19;2-1-1;2-2-3;..4... |
ba300 | 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 32 2d 32 2d 31 39 3b 00 02 35 00 1d 00 00 | ..11;1-2-3;2-2-11;2-2-19;..5.... |
ba320 | 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 | .3;1-2-11;1-1-19;2-1-1;2-2-3;..6 |
ba340 | 00 1d 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 31 31 | .....19;1-1-1;1-1-3;2-2-1;2-2-11 |
ba360 | 3b 00 02 37 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 00 02 | ;..7.....1;1-2-1;1-1-19;2-1-3;.. |
ba380 | 38 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 39 00 16 | 8.....1;1-1-1;2-1-1;2-1-19;..9.. |
ba3a0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 1f 00 00 | ...1;1-1-1;2-1-1;2-1-19;..10.... |
ba3c0 | 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 31 39 3b 00 | .11;1-2-3;2-2-11;2-1-15;2-1-19;. |
ba3e0 | 02 31 31 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 | .11.....3;1-2-11;1-1-15;2-2-3;.. |
ba400 | 31 32 00 1f 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 31 35 3b 32 2d | 12.....11;1-2-3;2-2-11;2-1-15;2- |
ba420 | 31 2d 31 39 3b 00 02 31 33 00 11 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 00 | 1-19;..13.....15;1-1-3;2-2-11;.. |
ba440 | 00 02 73 6d 69 6c 65 73 00 18 00 00 00 43 43 4e 63 31 6e 63 28 4e 43 28 43 29 43 29 6e 63 28 6e | ..smiles.....CCNc1nc(NC(C)C)nc(n |
ba460 | 31 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 f1 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 | 1)Cl..updated_at...}FP....create |
ba480 | 64 5f 61 74 00 95 81 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at...}FP....default_fingerprin |
ba4a0 | 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 59 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.Y...InChI=1S/C |
ba4c0 | 38 48 31 34 43 6c 4e 35 2f 63 31 2d 34 2d 31 30 2d 37 2d 31 32 2d 36 28 39 29 31 33 2d 38 28 31 | 8H14ClN5/c1-4-10-7-12-6(9)13-8(1 |
ba4e0 | 34 2d 37 29 31 31 2d 35 28 32 29 33 2f 68 35 48 2c 34 48 32 2c 31 2d 33 48 33 2c 28 48 32 2c 31 | 4-7)11-5(2)3/h5H,4H2,1-3H3,(H2,1 |
ba500 | 30 2c 31 31 2c 31 32 2c 31 33 2c 31 34 29 00 00 bd 03 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed | 0,11,12,13,14)......._id.V.$9+r. |
ba520 | 30 fb 00 01 30 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | 0...0.warnings.......fingerprint |
ba540 | 73 00 a6 02 00 00 04 4d 50 32 44 00 9b 02 00 00 02 30 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 | s......MP2D......0.....8;1-1-1;2 |
ba560 | 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 00 28 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | -1-1;2-1-2;..1.(...1;1-1-1;1-1-2 |
ba580 | 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 31 3b 00 02 32 00 15 00 | ;1-1-8;2-3-1;2-1-2;2-1-11;..2... |
ba5a0 | 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 33 00 0f 00 00 00 31 3b | ..1;1-4-1;2-1-2;2-1-8;..3.....1; |
ba5c0 | 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 34 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d | 1-1-1;2-3-1;..4.....1;1-1-1;2-3- |
ba5e0 | 31 3b 00 02 35 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 36 00 2f 00 00 00 | 1;..5.....1;1-1-1;2-3-1;..6./... |
ba600 | 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | 2;1-1-1;1-1-2;1-1-11;2-1-1;2-2-3 |
ba620 | 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 37 00 22 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d | ;2-1-8;2-1-11;..7."...2;1-1-2;1- |
ba640 | 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 1b 00 00 00 33 | 1-3;2-1-1;2-2-3;2-1-11;..8.....3 |
ba660 | 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 39 00 15 00 00 | ;1-1-2;1-2-3;2-1-2;2-2-3;..9.... |
ba680 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 30 00 16 00 00 00 33 3b | .3;1-2-3;2-1-2;2-2-3;..10.....3; |
ba6a0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d | 1-2-3;2-2-3;2-1-15;..11.....3;1- |
ba6c0 | 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 31 32 00 16 00 00 00 33 3b 31 2d 32 2d | 2-3;1-1-15;2-2-3;..12.....3;1-2- |
ba6e0 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | 3;2-2-3;2-1-15;..13.....3;1-2-3; |
ba700 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 34 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d | 2-1-2;2-2-3;..14.....15;1-1-3;2- |
ba720 | 32 2d 33 3b 00 02 31 35 00 30 00 00 00 31 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d | 2-3;..15.0...11;1-1-2;1-1-3;1-1- |
ba740 | 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 36 | 11;2-1-1;2-1-2;2-1-3;2-1-11;..16 |
ba760 | 00 24 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 | .$...11;1-1-3;1-1-11;2-1-2;2-1-3 |
ba780 | 3b 32 2d 31 2d 31 31 3b 00 02 31 37 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 33 3b | ;2-1-11;..17.....3;1-2-11;2-1-3; |
ba7a0 | 32 2d 31 2d 31 31 3b 00 02 31 38 00 11 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b | 2-1-11;..18.....11;1-2-3;2-2-11; |
ba7c0 | 00 02 31 39 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d | ..19.....3;1-2-11;2-1-2;2-1-3;2- |
ba7e0 | 31 2d 31 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 25 00 00 00 4f 43 28 43 28 43 29 28 43 29 43 29 | 1-11;....smiles.%...OC(C(C)(C)C) |
ba800 | 43 28 3d 43 63 31 63 63 63 28 63 63 31 29 43 6c 29 6e 31 6e 63 6e 63 31 00 09 75 70 64 61 74 65 | C(=Cc1ccc(cc1)Cl)n1ncnc1..update |
ba820 | 64 5f 61 74 00 f4 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 9c 81 7d 46 50 01 00 | d_at...}FP....created_at...}FP.. |
ba840 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 | ..default_fingerprint_size...... |
ba860 | 69 6e 63 68 69 00 62 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 31 38 43 6c 4e 33 4f 2f 63 | inchi.b...InChI=1S/C15H18ClN3O/c |
ba880 | 31 2d 31 35 28 32 2c 33 29 31 34 28 32 30 29 31 33 28 31 39 2d 31 30 2d 31 37 2d 39 2d 31 38 2d | 1-15(2,3)14(20)13(19-10-17-9-18- |
ba8a0 | 31 39 29 38 2d 31 31 2d 34 2d 36 2d 31 32 28 31 36 29 37 2d 35 2d 31 31 2f 68 34 2d 31 30 2c 31 | 19)8-11-4-6-12(16)7-5-11/h4-10,1 |
ba8c0 | 34 2c 32 30 48 2c 31 2d 33 48 33 00 00 6d 04 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 | 4,20H,1-3H3..m...._id.V.$9+r.0.. |
ba8e0 | 01 31 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 33 | .1.warnings.......fingerprints.3 |
ba900 | 03 00 00 04 4d 50 32 44 00 28 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d | ....MP2D.(....0.....1;1-1-1;2-1- |
ba920 | 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 00 0f 00 00 00 | 1;..1.....1;1-2-1;2-1-1;..2..... |
ba940 | 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d | 1;1-2-1;2-2-1;..3.....1;1-2-1;2- |
ba960 | 32 2d 31 3b 00 02 34 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 35 00 0f 00 | 2-1;..4.....1;1-2-1;2-2-1;..5... |
ba980 | 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 36 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b | ..1;1-2-1;2-2-1;..6.....1;1-2-1; |
ba9a0 | 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 37 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 2-1-1;2-1-3;..7.....1;1-1-1;1-1- |
ba9c0 | 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d | 3;2-1-1;2-2-3;..8.....3;1-1-1;1- |
ba9e0 | 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b | 2-3;2-1-1;2-2-3;..9.....3;1-2-3; |
baa00 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 22 00 00 00 33 3b 31 2d | 2-1-1;2-2-3;2-1-19;..10."...3;1- |
baa20 | 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 31 | 2-3;1-1-19;2-2-3;2-1-8;2-2-9;..1 |
baa40 | 31 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 31 32 00 | 1.....19;1-1-3;1-2-9;2-2-3;..12. |
baa60 | 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 33 00 16 00 | ....9;1-1-19;2-1-3;2-1-9;..13... |
baa80 | 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 34 00 22 00 00 00 | ..9;1-1-19;2-1-3;2-1-9;..14."... |
baaa0 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 39 | 3;1-2-3;1-1-8;2-1-2;2-2-3;2-2-19 |
baac0 | 3b 00 02 31 35 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 | ;..15."...3;1-2-3;1-1-19;2-2-3;2 |
baae0 | 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 31 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | -1-8;2-2-9;..16.....3;1-2-3;2-1- |
bab00 | 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 37 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 | 1;2-2-3;2-1-19;..17.....19;1-1-3 |
bab20 | 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 31 38 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 | ;1-2-9;2-2-3;..18.....9;1-1-19;2 |
bab40 | 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 39 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 | -1-3;2-1-9;..19.....9;1-1-19;2-1 |
bab60 | 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 30 00 21 00 00 00 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b | -3;2-1-9;..20.!...8;1-1-2;1-1-3; |
bab80 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 31 00 21 00 00 00 32 3b 31 2d 31 | 2-1-2;2-2-3;2-1-9;..21.!...2;1-1 |
baba0 | 2d 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 32 32 00 | -2;1-1-8;1-1-9;2-1-2;2-1-3;..22. |
babc0 | 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 33 00 1b 00 00 | ....9;1-1-2;2-1-2;2-1-8;..23.... |
babe0 | 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 34 00 | .2;1-2-2;2-1-1;2-1-8;2-1-9;..24. |
bac00 | 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 02 32 35 00 0f 00 00 | ....2;1-1-1;1-1-2;2-1-2;..25.... |
bac20 | 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 2f 00 00 00 43 43 | .1;1-1-2;2-1-2;....smiles./...CC |
bac40 | 43 43 43 43 43 43 63 31 63 63 28 4e 28 3d 4f 29 3d 4f 29 63 28 63 28 63 31 29 4e 28 3d 4f 29 3d | CCCCCCc1cc(N(=O)=O)c(c(c1)N(=O)= |
bac60 | 4f 29 4f 43 28 3d 4f 29 43 3d 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 3f 8c 7d 46 50 01 00 | O)OC(=O)C=CC..updated_at.?.}FP.. |
bac80 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 a3 81 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at...}FP....default_fi |
baca0 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 7b 00 00 00 49 6e | ngerprint_size......inchi.{...In |
bacc0 | 43 68 49 3d 31 53 2f 43 31 38 48 32 34 4e 32 4f 36 2f 63 31 2d 33 2d 35 2d 36 2d 37 2d 38 2d 39 | ChI=1S/C18H24N2O6/c1-3-5-6-7-8-9 |
bace0 | 2d 31 31 2d 31 34 2d 31 32 2d 31 35 28 31 39 28 32 32 29 32 33 29 31 38 28 31 36 28 31 33 2d 31 | -11-14-12-15(19(22)23)18(16(13-1 |
bad00 | 34 29 32 30 28 32 34 29 32 35 29 32 36 2d 31 37 28 32 31 29 31 30 2d 34 2d 32 2f 68 34 2c 31 30 | 4)20(24)25)26-17(21)10-4-2/h4,10 |
bad20 | 2c 31 32 2d 31 33 48 2c 33 2c 35 2d 39 2c 31 31 48 32 2c 31 2d 32 48 33 00 00 e1 03 00 00 07 5f | ,12-13H,3,5-9,11H2,1-2H3......._ |
bad40 | 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 32 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V.$9+r.0...2.warnings.......f |
bad60 | 69 6e 67 65 72 70 72 69 6e 74 73 00 c4 02 00 00 04 4d 50 32 44 00 b9 02 00 00 02 30 00 0f 00 00 | ingerprints......MP2D......0.... |
bad80 | 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 | .1;1-1-1;2-2-1;..1.....1;1-3-1;2 |
bada0 | 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 | -2-3;2-1-8;..2.!...1;1-1-1;1-2-3 |
badc0 | 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 34 2d 33 3b 00 02 33 00 28 00 00 00 33 3b 31 2d 31 | ;1-1-8;2-2-1;2-4-3;..3.(...3;1-1 |
bade0 | 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 | -1;1-2-3;2-1-1;2-1-3;2-1-8;2-2-1 |
bae00 | 31 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 | 1;..4.....3;1-1-3;1-1-11;2-1-1;2 |
bae20 | 2d 32 2d 33 3b 00 02 35 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d | -2-3;..5.....11;1-2-3;2-1-3;2-1- |
bae40 | 31 31 3b 00 02 36 00 10 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 37 00 17 00 | 11;..6.....3;1-2-11;2-2-3;..7... |
bae60 | 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 1c 00 00 00 | ..11;1-2-3;2-1-3;2-1-11;..8..... |
bae80 | 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 21 | 3;1-1-3;1-1-11;2-1-1;2-2-3;..9.! |
baea0 | 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 32 2d 31 | ...3;1-1-1;1-2-3;2-1-1;2-3-3;2-1 |
baec0 | 2d 38 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | -8;..10.....3;1-2-3;2-1-1;2-2-3; |
baee0 | 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 | ..11.....3;1-2-3;2-2-3;2-1-8;..1 |
baf00 | 32 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | 2.....3;1-2-3;1-1-8;2-1-1;2-2-3; |
baf20 | 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 | ..13.....3;1-2-3;2-2-3;2-1-8;..1 |
baf40 | 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 35 00 1c | 4.....3;1-2-3;2-1-1;2-2-3;..15.. |
baf60 | 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 | ...8;1-1-1;1-1-3;2-2-3;2-3-16;.. |
baf80 | 31 36 00 16 00 00 00 31 3b 31 2d 31 2d 38 3b 31 2d 33 2d 31 36 3b 32 2d 31 2d 33 3b 00 02 31 37 | 16.....1;1-1-8;1-3-16;2-1-3;..17 |
bafa0 | 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 36 3b 00 02 31 38 00 | .....16;1-1-1;2-1-8;2-2-16;..18. |
bafc0 | 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 36 3b 00 02 31 39 00 17 | ....16;1-1-1;2-1-8;2-2-16;..19.. |
bafe0 | 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 36 3b 00 02 32 30 00 15 00 | ...16;1-1-1;2-1-8;2-2-16;..20... |
bb000 | 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 31 00 0f 00 00 00 31 | ..8;1-1-1;2-1-1;2-2-3;..21.....1 |
bb020 | 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 27 00 00 00 43 43 28 43 | ;1-1-1;2-2-1;....smiles.'...CC(C |
bb040 | 28 63 31 63 6e 63 6e 63 31 29 28 63 31 63 63 63 28 63 63 31 29 4f 43 28 46 29 28 46 29 46 29 4f | (c1cncnc1)(c1ccc(cc1)OC(F)(F)F)O |
bb060 | 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 f9 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | )C..updated_at...}FP....created_ |
bb080 | 61 74 00 aa 81 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at...}FP....default_fingerprint_ |
bb0a0 | 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 66 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 | size......inchi.f...InChI=1S/C15 |
bb0c0 | 48 31 35 46 33 4e 32 4f 32 2f 63 31 2d 31 30 28 32 29 31 34 28 32 31 2c 31 32 2d 37 2d 31 39 2d | H15F3N2O2/c1-10(2)14(21,12-7-19- |
bb0e0 | 39 2d 32 30 2d 38 2d 31 32 29 31 31 2d 33 2d 35 2d 31 33 28 36 2d 34 2d 31 31 29 32 32 2d 31 35 | 9-20-8-12)11-3-5-13(6-4-11)22-15 |
bb100 | 28 31 36 2c 31 37 29 31 38 2f 68 33 2d 31 30 2c 32 31 48 2c 31 2d 32 48 33 00 00 8a 02 00 00 07 | (16,17)18/h3-10,21H,1-2H3....... |
bb120 | 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 33 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V.$9+r.0...3.warnings....... |
bb140 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a3 01 00 00 04 4d 50 32 44 00 98 01 00 00 02 30 00 10 00 | fingerprints......MP2D......0... |
bb160 | 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 00 22 00 00 00 38 3b 31 2d 31 2d 31 | ..1;1-1-8;2-1-12;..1."...8;1-1-1 |
bb180 | 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 00 22 00 | ;1-1-12;2-1-1;2-1-8;2-1-9;..2.". |
bb1a0 | 00 00 31 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 38 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b 32 2d 31 | ..12;1-1-1;1-2-8;1-1-9;2-3-1;2-1 |
bb1c0 | 2d 38 3b 00 02 33 00 16 00 00 00 39 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b | -8;..3.....9;1-1-12;2-1-1;2-2-8; |
bb1e0 | 00 02 34 00 29 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 32 3b 32 2d 32 | ..4.)...1;1-1-1;1-1-8;1-1-12;2-2 |
bb200 | 2d 38 3b 32 2d 31 2d 39 3b 32 2d 33 2d 31 35 3b 00 02 35 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b | -8;2-1-9;2-3-15;..5.....1;1-1-1; |
bb220 | 31 2d 33 2d 31 35 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 36 00 17 00 00 00 31 35 3b 31 | 1-3-15;2-1-8;2-1-12;..6.....15;1 |
bb240 | 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 37 00 17 00 00 00 31 35 3b 31 2d 31 | -1-1;2-1-1;2-2-15;..7.....15;1-1 |
bb260 | 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 38 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 | -1;2-1-1;2-2-15;..8.....15;1-1-1 |
bb280 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 39 00 16 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d | ;2-1-1;2-2-15;..9.....8;1-1-1;2- |
bb2a0 | 31 2d 31 3b 32 2d 31 2d 31 32 3b 00 02 31 30 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 1-1;2-1-12;..10."...8;1-1-1;1-1- |
bb2c0 | 31 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 31 00 10 00 00 00 31 3b | 12;2-1-1;2-1-8;2-1-9;..11.....1; |
bb2e0 | 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 1b 00 00 00 43 4f 50 28 | 1-1-8;2-1-12;....smiles.....COP( |
bb300 | 3d 4f 29 28 43 28 43 28 43 6c 29 28 43 6c 29 43 6c 29 4f 29 4f 43 00 09 75 70 64 61 74 65 64 5f | =O)(C(C(Cl)(Cl)Cl)O)OC..updated_ |
bb320 | 61 74 00 fb 8a 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 b0 81 7d 46 50 01 00 00 10 | at...}FP....created_at...}FP.... |
bb340 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e | default_fingerprint_size......in |
bb360 | 63 68 69 00 3c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 38 43 6c 33 4f 34 50 2f 63 31 2d 31 | chi.<...InChI=1S/C4H8Cl3O4P/c1-1 |
bb380 | 30 2d 31 32 28 39 2c 31 31 2d 32 29 33 28 38 29 34 28 35 2c 36 29 37 2f 68 33 2c 38 48 2c 31 2d | 0-12(9,11-2)3(8)4(5,6)7/h3,8H,1- |
bb3a0 | 32 48 33 00 00 3f 04 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 34 04 77 61 72 6e 69 | 2H3..?...._id.V.$9+r.0...4.warni |
bb3c0 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 10 03 00 00 04 4d 50 32 44 | ngs.......fingerprints......MP2D |
bb3e0 | 00 05 03 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 1c | ......0.....15;1-1-3;2-2-3;..1.. |
bb400 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 | ...3;1-2-3;1-1-15;2-2-3;2-1-8;.. |
bb420 | 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 | 2.....3;1-2-3;2-1-1;2-2-3;2-1-15 |
bb440 | 3b 00 02 33 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 33 | ;..3.....3;1-1-1;1-2-3;2-2-3;2-3 |
bb460 | 2d 31 36 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | -16;..4.....3;1-2-3;2-1-1;2-2-3; |
bb480 | 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 | ..5.....3;1-2-3;2-2-3;2-1-8;..6. |
bb4a0 | 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 35 3b 00 | ....3;1-2-3;1-1-8;2-3-3;2-1-15;. |
bb4c0 | 02 37 00 0f 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 | .7.....8;1-2-3;2-4-3;..8.....3;1 |
bb4e0 | 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 | -2-3;1-1-8;2-3-3;..9.....3;1-2-3 |
bb500 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-3;2-1-8;..10.....3;1-2-3;2- |
bb520 | 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 29 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 2-3;2-1-19;..11.)...3;1-2-3;1-1- |
bb540 | 31 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 33 32 3b 00 02 31 32 | 19;2-1-2;2-2-3;2-1-9;2-1-32;..12 |
bb560 | 00 23 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b | .#...3;1-1-2;1-2-3;2-2-3;2-1-19; |
bb580 | 32 2d 32 2d 33 32 3b 00 02 31 33 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d | 2-2-32;..13.....3;1-2-3;2-1-2;2- |
bb5a0 | 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 34 00 16 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 32 2d 33 | 2-3;2-1-8;..14.....2;1-1-3;1-2-3 |
bb5c0 | 32 3b 32 2d 32 2d 33 3b 00 02 31 35 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b | 2;2-2-3;..15.....32;1-1-2;2-1-3; |
bb5e0 | 32 2d 31 2d 33 32 3b 00 02 31 36 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 | 2-1-32;..16.....32;1-1-2;2-1-3;2 |
bb600 | 2d 31 2d 33 32 3b 00 02 31 37 00 1d 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d | -1-32;..17.....19;1-1-3;1-1-9;1- |
bb620 | 31 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 31 38 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 | 1-32;2-2-3;..18.....9;1-1-19;2-1 |
bb640 | 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 39 00 17 00 00 00 33 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 | -3;2-1-32;..19.....32;1-1-19;2-1 |
bb660 | 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 30 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 | -3;2-1-9;..20.....1;1-1-3;1-3-16 |
bb680 | 3b 32 2d 32 2d 33 3b 00 02 32 31 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 | ;2-2-3;..21.....16;1-1-1;2-1-3;2 |
bb6a0 | 2d 32 2d 31 36 3b 00 02 32 32 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d | -2-16;..22.....16;1-1-1;2-1-3;2- |
bb6c0 | 32 2d 31 36 3b 00 02 32 33 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 | 2-16;..23.....16;1-1-1;2-1-3;2-2 |
bb6e0 | 2d 31 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 34 00 00 00 43 6c 63 31 63 63 28 63 63 63 31 4f 63 | -16;....smiles.4...Clc1cc(ccc1Oc |
bb700 | 31 63 63 63 28 63 28 63 31 29 43 28 3d 4f 29 4f 29 5b 4e 2b 5d 28 3d 4f 29 5b 4f 2d 5d 29 43 28 | 1ccc(c(c1)C(=O)O)[N+](=O)[O-])C( |
bb720 | 46 29 28 46 29 46 00 09 75 70 64 61 74 65 64 5f 61 74 00 fe 8a 7d 46 50 01 00 00 09 63 72 65 61 | F)(F)F..updated_at...}FP....crea |
bb740 | 74 65 64 5f 61 74 00 b7 81 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at...}FP....default_fingerpr |
bb760 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 6b 00 00 00 49 6e 43 68 49 3d 31 53 | int_size......inchi.k...InChI=1S |
bb780 | 2f 43 31 34 48 37 43 6c 46 33 4e 4f 35 2f 63 31 35 2d 31 30 2d 35 2d 37 28 31 34 28 31 36 2c 31 | /C14H7ClF3NO5/c15-10-5-7(14(16,1 |
bb7a0 | 37 29 31 38 29 31 2d 34 2d 31 32 28 31 30 29 32 34 2d 38 2d 32 2d 33 2d 31 31 28 31 39 28 32 32 | 7)18)1-4-12(10)24-8-2-3-11(19(22 |
bb7c0 | 29 32 33 29 39 28 36 2d 38 29 31 33 28 32 30 29 32 31 2f 68 31 2d 36 48 2c 28 48 2c 32 30 2c 32 | )23)9(6-8)13(20)21/h1-6H,(H,20,2 |
bb7e0 | 31 29 00 00 61 04 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 35 04 77 61 72 6e 69 6e | 1)..a...._id.V.$9+r.0...5.warnin |
bb800 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 29 03 00 00 04 4d 50 32 44 00 | gs.......fingerprints.)....MP2D. |
bb820 | 1e 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 10 00 00 | .....0.....1;1-1-1;2-1-1;..1.... |
bb840 | 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 32 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b | .1;1-2-1;2-1-19;..2.....1;1-1-1; |
bb860 | 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 00 1c 00 00 00 31 39 3b 31 2d | 1-1-19;2-2-1;2-1-3;..3.....19;1- |
bb880 | 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 23 00 00 00 33 3b | 2-1;1-1-3;2-2-1;2-2-3;..4.#...3; |
bb8a0 | 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 39 3b | 1-2-3;1-1-19;2-2-1;2-2-3;2-2-19; |
bb8c0 | 00 02 35 00 2a 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 | ..5.*...3;1-2-3;1-1-19;2-2-3;2-1 |
bb8e0 | 2d 39 3b 32 2d 31 2d 31 39 3b 32 2d 31 2d 33 32 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 | -9;2-1-19;2-1-32;..6.....3;1-2-3 |
bb900 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d | ;2-1-1;2-2-3;2-1-19;..7.....3;1- |
bb920 | 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 38 00 1c 00 00 00 33 | 1-1;1-2-3;2-2-3;2-3-16;..8.....3 |
bb940 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 39 00 2a 00 | ;1-2-3;2-1-1;2-2-3;2-1-19;..9.*. |
bb960 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 | ..3;1-2-3;1-1-19;2-2-3;2-1-9;2-1 |
bb980 | 2d 31 39 3b 32 2d 31 2d 33 32 3b 00 02 31 30 00 1d 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 | -19;2-1-32;..10.....19;1-1-3;1-1 |
bb9a0 | 2d 39 3b 31 2d 31 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 31 31 00 17 00 00 00 39 3b 31 2d 31 2d 31 | -9;1-1-32;2-2-3;..11.....9;1-1-1 |
bb9c0 | 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 32 00 17 00 00 00 33 32 3b 31 2d 31 2d 31 | 9;2-1-3;2-1-32;..12.....32;1-1-1 |
bb9e0 | 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 33 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 | 9;2-1-3;2-1-9;..13.....1;1-1-3;1 |
bba00 | 2d 33 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 31 34 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d | -3-16;2-2-3;..14.....16;1-1-1;2- |
bba20 | 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 31 35 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 | 1-3;2-2-16;..15.....16;1-1-1;2-1 |
bba40 | 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 31 36 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d | -3;2-2-16;..16.....16;1-1-1;2-1- |
bba60 | 33 3b 32 2d 32 2d 31 36 3b 00 02 31 37 00 1d 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 | 3;2-2-16;..17.....19;1-1-3;1-1-9 |
bba80 | 3b 31 2d 31 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 31 38 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b | ;1-1-32;2-2-3;..18.....9;1-1-19; |
bbaa0 | 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 39 00 17 00 00 00 33 32 3b 31 2d 31 2d 31 39 3b | 2-1-3;2-1-32;..19.....32;1-1-19; |
bbac0 | 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 30 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-1-3;2-1-9;..20.....1;1-1-1;1-1 |
bbae0 | 2d 31 39 3b 32 2d 33 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 31 00 16 00 00 00 31 3b 31 2d 33 2d 31 | -19;2-3-1;2-1-3;..21.....1;1-3-1 |
bbb00 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 32 32 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 | ;2-2-1;2-1-19;..22.....1;1-2-1;2 |
bbb20 | 2d 33 2d 31 3b 00 02 32 33 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 00 00 02 | -3-1;..23.....1;1-2-1;2-3-1;.... |
bbb40 | 73 6d 69 6c 65 73 00 39 00 00 00 43 43 43 4e 28 63 31 63 28 63 63 28 63 63 31 5b 4e 2b 5d 28 3d | smiles.9...CCCN(c1c(cc(cc1[N+](= |
bbb60 | 4f 29 5b 4f 2d 5d 29 43 28 46 29 28 46 29 46 29 5b 4e 2b 5d 28 3d 4f 29 5b 4f 2d 5d 29 43 43 31 | O)[O-])C(F)(F)F)[N+](=O)[O-])CC1 |
bbb80 | 43 43 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 00 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 | CC1..updated_at...}FP....created |
bbba0 | 5f 61 74 00 be 81 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...}FP....default_fingerprint |
bbbc0 | 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 6f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 | _size......inchi.o...InChI=1S/C1 |
bbbe0 | 34 48 31 36 46 33 4e 33 4f 34 2f 63 31 2d 32 2d 35 2d 31 38 28 38 2d 39 2d 33 2d 34 2d 39 29 31 | 4H16F3N3O4/c1-2-5-18(8-9-3-4-9)1 |
bbc00 | 33 2d 31 31 28 31 39 28 32 31 29 32 32 29 36 2d 31 30 28 31 34 28 31 35 2c 31 36 29 31 37 29 37 | 3-11(19(21)22)6-10(14(15,16)17)7 |
bbc20 | 2d 31 32 28 31 33 29 32 30 28 32 33 29 32 34 2f 68 36 2d 37 2c 39 48 2c 32 2d 35 2c 38 48 32 2c | -12(13)20(23)24/h6-7,9H,2-5,8H2, |
bbc40 | 31 48 33 00 00 68 05 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 36 04 77 61 72 6e 69 | 1H3..h...._id.V.$9+r.0...6.warni |
bbc60 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 17 04 00 00 04 4d 50 32 44 | ngs.......fingerprints......MP2D |
bbc80 | 00 0c 04 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 | ......0.....1;1-1-1;2-1-8;..1... |
bbca0 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 32 00 1b 00 00 00 38 3b | ..1;1-1-1;1-1-8;2-1-2;..2.....8; |
bbcc0 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 21 00 00 00 | 1-1-1;1-1-2;2-2-1;2-1-9;..3.!... |
bbce0 | 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b | 2;1-1-1;1-1-8;1-1-9;2-2-1;2-1-8; |
bbd00 | 00 02 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 | ..4.....9;1-1-2;2-1-1;2-1-8;..5. |
bbd20 | 27 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d | '...1;1-1-1;1-1-2;1-1-8;2-1-2;2- |
bbd40 | 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 36 00 27 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | 1-8;2-1-9;..6.'...8;1-1-1;1-1-2; |
bbd60 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 37 00 21 00 00 00 | 2-1-1;2-1-2;2-1-3;2-1-9;..7.!... |
bbd80 | 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | 2;1-1-3;1-1-8;1-1-9;2-1-1;2-2-3; |
bbda0 | 00 02 38 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 | ..8.....9;1-1-2;2-1-3;2-1-8;..9. |
bbdc0 | 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d | (...3;1-1-2;1-2-3;2-2-3;2-1-8;2- |
bbde0 | 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 1-9;2-1-19;..10.....3;1-2-3;2-1- |
bbe00 | 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 2;2-2-3;2-1-8;..11.....3;1-2-3;1 |
bbe20 | 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 31 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -1-8;2-3-3;..12.....3;1-2-3;2-2- |
bbe40 | 33 3b 32 2d 31 2d 38 3b 00 02 31 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 3;2-1-8;..13.....3;1-2-3;2-2-3;2 |
bbe60 | 2d 31 2d 31 39 3b 00 02 31 34 00 29 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d | -1-19;..14.)...3;1-2-3;1-1-19;2- |
bbe80 | 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 33 32 3b 00 02 31 35 00 1d 00 00 00 | 1-2;2-2-3;2-1-9;2-1-32;..15..... |
bbea0 | 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 31 36 | 19;1-1-3;1-1-9;1-1-32;2-2-3;..16 |
bbec0 | 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 37 00 | .....9;1-1-19;2-1-3;2-1-32;..17. |
bbee0 | 17 00 00 00 33 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 38 00 0f | ....32;1-1-19;2-1-3;2-1-9;..18.. |
bbf00 | 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 39 00 1c 00 00 00 33 3b 31 2d 32 2d | ...8;1-2-3;2-4-3;..19.....3;1-2- |
bbf20 | 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 32 30 00 15 00 00 00 33 3b | 3;1-1-8;2-3-3;2-1-15;..20.....3; |
bbf40 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 31 00 15 00 00 00 33 3b 31 2d 32 | 1-2-3;2-2-3;2-1-8;..21.....3;1-2 |
bbf60 | 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 32 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b | -3;2-1-1;2-2-3;..22.....3;1-1-1; |
bbf80 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 32 33 00 1c 00 00 00 33 3b 31 2d | 1-2-3;2-2-3;2-3-16;..23.....3;1- |
bbfa0 | 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 32 34 00 1c 00 00 00 | 2-3;2-1-1;2-2-3;2-1-15;..24..... |
bbfc0 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 35 00 | 3;1-2-3;1-1-15;2-2-3;2-1-8;..25. |
bbfe0 | 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 36 00 16 00 00 00 31 3b 31 2d | ....15;1-1-3;2-2-3;..26.....1;1- |
bc000 | 31 2d 33 3b 31 2d 33 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 32 37 00 17 00 00 00 31 36 3b 31 2d 31 | 1-3;1-3-16;2-2-3;..27.....16;1-1 |
bc020 | 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 38 00 17 00 00 00 31 36 3b 31 2d 31 2d | -1;2-1-3;2-2-16;..28.....16;1-1- |
bc040 | 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 39 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 | 1;2-1-3;2-2-16;..29.....16;1-1-1 |
bc060 | 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 33 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 | ;2-1-3;2-2-16;..30.....1;1-1-1;2 |
bc080 | 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 3e 00 00 00 43 43 4f 43 28 3d | -1-2;2-1-8;....smiles.>...CCOC(= |
bc0a0 | 4f 29 43 28 4f 43 28 3d 4f 29 63 31 63 63 28 63 63 63 31 5b 4e 2b 5d 28 3d 4f 29 5b 4f 2d 5d 29 | O)C(OC(=O)c1cc(ccc1[N+](=O)[O-]) |
bc0c0 | 4f 63 31 63 63 63 28 63 63 31 43 6c 29 43 28 46 29 28 46 29 46 29 43 00 09 75 70 64 61 74 65 64 | Oc1ccc(cc1Cl)C(F)(F)F)C..updated |
bc0e0 | 5f 61 74 00 03 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c6 81 7d 46 50 01 00 00 | _at...}FP....created_at...}FP... |
bc100 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 | .default_fingerprint_size......i |
bc120 | 6e 63 68 69 00 83 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 39 48 31 35 43 6c 46 33 4e 4f 37 2f | nchi.....InChI=1S/C19H15ClF3NO7/ |
bc140 | 63 31 2d 33 2d 32 39 2d 31 37 28 32 35 29 31 30 28 32 29 33 30 2d 31 38 28 32 36 29 31 33 2d 39 | c1-3-29-17(25)10(2)30-18(26)13-9 |
bc160 | 2d 31 32 28 35 2d 36 2d 31 35 28 31 33 29 32 34 28 32 37 29 32 38 29 33 31 2d 31 36 2d 37 2d 34 | -12(5-6-15(13)24(27)28)31-16-7-4 |
bc180 | 2d 31 31 28 38 2d 31 34 28 31 36 29 32 30 29 31 39 28 32 31 2c 32 32 29 32 33 2f 68 34 2d 31 30 | -11(8-14(16)20)19(21,22)23/h4-10 |
bc1a0 | 48 2c 33 48 32 2c 31 2d 32 48 33 00 00 66 02 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 | H,3H2,1-2H3..f...._id.V.$9+r.0.. |
bc1c0 | 01 37 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 88 | .7.warnings.......fingerprints.. |
bc1e0 | 01 00 00 04 4d 50 32 44 00 7d 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d | ....MP2D.}....0.....1;1-1-1;2-1- |
bc200 | 31 30 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b | 10;..1.....1;1-1-1;1-1-10;2-1-2; |
bc220 | 00 02 32 00 23 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 | ..2.#...10;1-1-1;1-1-2;2-1-1;2-1 |
bc240 | 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 33 00 1d 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 30 | -9;2-1-28;..3.....2;1-1-9;1-1-10 |
bc260 | 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 00 02 34 00 17 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d | ;1-1-28;2-3-1;..4.....9;1-1-2;2- |
bc280 | 31 2d 31 30 3b 32 2d 31 2d 32 38 3b 00 02 35 00 23 00 00 00 32 38 3b 31 2d 32 2d 31 3b 31 2d 31 | 1-10;2-1-28;..5.#...28;1-2-1;1-1 |
bc2a0 | 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 30 3b 00 02 36 00 1c 00 00 00 31 3b | -2;2-2-1;2-1-9;2-1-10;..6.....1; |
bc2c0 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 37 00 16 00 00 | 1-1-1;1-1-28;2-2-1;2-1-2;..7.... |
bc2e0 | 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 38 00 0f 00 00 00 31 3b | .1;1-2-1;2-1-1;2-1-28;..8.....1; |
bc300 | 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 39 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d | 1-2-1;2-2-1;..9.....1;1-2-1;2-2- |
bc320 | 31 3b 00 02 31 30 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b | 1;..10.....1;1-2-1;2-1-1;2-1-28; |
bc340 | 00 02 31 31 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d | ..11.....1;1-1-1;1-1-28;2-2-1;2- |
bc360 | 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 12 00 00 00 43 43 53 43 28 3d 4f 29 4e 31 43 43 43 | 1-2;....smiles.....CCSC(=O)N1CCC |
bc380 | 43 43 43 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 71 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 | CCC1..updated_at.q.}FP....create |
bc3a0 | 64 5f 61 74 00 cc 81 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at...}FP....default_fingerprin |
bc3c0 | 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 3c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.<...InChI=1S/C |
bc3e0 | 39 48 31 37 4e 4f 53 2f 63 31 2d 32 2d 31 32 2d 39 28 31 31 29 31 30 2d 37 2d 35 2d 33 2d 34 2d | 9H17NOS/c1-2-12-9(11)10-7-5-3-4- |
bc400 | 36 2d 38 2d 31 30 2f 68 32 2d 38 48 32 2c 31 48 33 00 00 ab 04 00 00 07 5f 69 64 00 56 16 24 39 | 6-8-10/h2-8H2,1H3......._id.V.$9 |
bc420 | 2b 72 ed 30 fb 00 01 38 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.0...8.warnings.......fingerpr |
bc440 | 69 6e 74 73 00 6f 03 00 00 04 4d 50 32 44 00 64 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d | ints.o....MP2D.d....0.....1;1-1- |
bc460 | 31 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d | 1;2-1-3;..1.....1;1-1-1;1-1-3;2- |
bc480 | 32 2d 33 3b 00 02 32 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b | 2-3;..2.....3;1-1-1;1-2-3;2-1-1; |
bc4a0 | 32 2d 32 2d 33 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | 2-2-3;..3.....3;1-2-3;2-1-1;2-2- |
bc4c0 | 33 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 | 3;..4.....3;1-2-3;2-1-2;2-2-3;.. |
bc4e0 | 35 00 22 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b | 5."...3;1-1-2;1-2-3;2-2-3;2-1-9; |
bc500 | 32 2d 31 2d 32 38 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 | 2-1-28;..6.....3;1-2-3;2-1-2;2-2 |
bc520 | 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | -3;..7.....3;1-2-3;2-1-1;2-2-3;. |
bc540 | 02 38 00 23 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d | .8.#...2;1-1-3;1-1-9;1-1-28;2-2- |
bc560 | 33 3b 32 2d 31 2d 32 38 3b 00 02 39 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 | 3;2-1-28;..9.....9;1-1-2;2-1-3;2 |
bc580 | 2d 31 2d 32 38 3b 00 02 31 30 00 29 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 32 38 3b 32 | -1-28;..10.)...28;1-1-2;1-1-28;2 |
bc5a0 | 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 31 00 2f 00 00 00 | -1-1;2-1-2;2-1-3;2-1-9;..11./... |
bc5c0 | 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d | 28;1-1-1;1-1-2;1-1-28;2-3-1;2-1- |
bc5e0 | 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 32 00 1d 00 00 00 31 3b 31 2d 33 2d 31 3b 31 | 2;2-1-3;2-1-9;..12.....1;1-3-1;1 |
bc600 | 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 16 00 00 00 31 3b 31 2d | -1-28;2-1-2;2-1-28;..13.....1;1- |
bc620 | 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 34 00 16 00 00 00 31 3b 31 2d 31 2d | 1-1;2-2-1;2-1-28;..14.....1;1-1- |
bc640 | 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 35 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b | 1;2-2-1;2-1-28;..15.....1;1-1-1; |
bc660 | 32 2d 32 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 36 00 29 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d | 2-2-1;2-1-28;..16.)...2;1-1-3;1- |
bc680 | 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 | 1-9;1-1-28;2-1-1;2-2-3;2-1-28;.. |
bc6a0 | 31 37 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 38 | 17.....9;1-1-2;2-1-3;2-1-28;..18 |
bc6c0 | 00 22 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 | ."...3;1-1-2;1-2-3;2-2-3;2-1-9;2 |
bc6e0 | 2d 31 2d 32 38 3b 00 02 31 39 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 | -1-28;..19.....3;1-2-3;2-1-1;2-1 |
bc700 | 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 30 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b | -2;2-2-3;..20.....3;1-1-1;1-2-3; |
bc720 | 32 2d 32 2d 33 3b 00 02 32 31 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 | 2-2-3;..21.....1;1-1-3;2-2-3;..2 |
bc740 | 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 33 00 15 | 2.....3;1-2-3;2-2-1;2-2-3;..23.. |
bc760 | 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 34 00 1b 00 00 00 | ...3;1-1-1;1-2-3;2-2-3;..24..... |
bc780 | 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 35 00 0f | 3;1-2-3;2-1-1;2-1-2;2-2-3;..25.. |
bc7a0 | 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 31 00 00 00 | ...1;1-1-3;2-2-3;....smiles.1... |
bc7c0 | 43 43 63 31 63 63 63 28 63 63 31 29 43 28 3d 4f 29 4e 4e 28 43 28 43 29 28 43 29 43 29 43 28 3d | CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(= |
bc7e0 | 4f 29 63 31 63 63 28 43 29 63 63 28 63 31 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 08 8b 7d | O)c1cc(C)cc(c1)C..updated_at...} |
bc800 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d3 81 7d 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at...}FP....defaul |
bc820 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 7b 00 | t_fingerprint_size......inchi.{. |
bc840 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 32 48 32 38 4e 32 4f 32 2f 63 31 2d 37 2d 31 37 2d 38 2d | ..InChI=1S/C22H28N2O2/c1-7-17-8- |
bc860 | 31 30 2d 31 38 28 31 31 2d 39 2d 31 37 29 32 30 28 32 35 29 32 33 2d 32 34 28 32 32 28 34 2c 35 | 10-18(11-9-17)20(25)23-24(22(4,5 |
bc880 | 29 36 29 32 31 28 32 36 29 31 39 2d 31 33 2d 31 35 28 32 29 31 32 2d 31 36 28 33 29 31 34 2d 31 | )6)21(26)19-13-15(2)12-16(3)14-1 |
bc8a0 | 39 2f 68 38 2d 31 34 48 2c 37 48 32 2c 31 2d 36 48 33 2c 28 48 2c 32 33 2c 32 35 29 00 00 b4 05 | 9/h8-14H,7H2,1-6H3,(H,23,25).... |
bc8c0 | 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 39 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V.$9+r.0...9.warnings.... |
bc8e0 | 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 57 04 00 00 04 4d 50 32 44 00 4c 04 00 00 02 30 | ...fingerprints.W....MP2D.L....0 |
bc900 | 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 31 00 1b 00 00 00 38 3b 31 2d 31 | .....1;1-1-8;2-1-2;..1.....8;1-1 |
bc920 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 00 21 00 00 00 32 3b 31 | -1;1-1-2;2-1-3;2-1-9;..2.!...2;1 |
bc940 | 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 | -1-3;1-1-8;1-1-9;2-1-1;2-2-3;..3 |
bc960 | 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 28 00 00 | .....9;1-1-2;2-1-3;2-1-8;..4.(.. |
bc980 | 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 | .3;1-1-2;1-2-3;2-2-3;2-1-8;2-1-9 |
bc9a0 | 3b 32 2d 31 2d 33 30 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d | ;2-1-30;..5.....3;1-2-3;2-1-2;2- |
bc9c0 | 32 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 0f 00 | 2-3;..6.....3;1-2-3;2-2-3;..7... |
bc9e0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | ..3;1-2-3;2-2-3;..8.....3;1-2-3; |
bca00 | 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 39 00 29 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | 2-2-3;2-1-30;..9.)...3;1-2-3;1-1 |
bca20 | 2d 33 30 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 | -30;2-1-2;2-2-3;2-2-9;2-1-28;..1 |
bca40 | 30 00 23 00 00 00 33 30 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d | 0.#...30;1-1-3;1-2-9;1-1-28;2-1- |
bca60 | 32 3b 32 2d 32 2d 33 3b 00 02 31 31 00 1d 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b | 2;2-2-3;..11.....9;1-1-30;2-1-3; |
bca80 | 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 1d 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 | 2-1-9;2-1-28;..12.....9;1-1-30;2 |
bcaa0 | 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 24 00 00 00 32 38 3b 31 2d | -1-3;2-1-9;2-1-28;..13.$...28;1- |
bcac0 | 31 2d 32 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 33 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 | 1-2;1-1-30;2-1-3;2-3-9;2-1-28;.. |
bcae0 | 31 34 00 1d 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 32 2d 32 38 3b 32 2d 31 2d 33 3b 32 2d 31 2d | 14.....2;1-1-9;1-2-28;2-1-3;2-1- |
bcb00 | 33 30 3b 00 02 31 35 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 31 36 00 | 30;..15.....9;1-1-2;2-2-28;..16. |
bcb20 | 24 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 31 3b | $...28;1-1-2;1-1-3;2-1-9;2-2-11; |
bcb40 | 32 2d 31 2d 32 38 3b 00 02 31 37 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 32 38 3b | 2-1-28;..17.....3;1-2-11;1-1-28; |
bcb60 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 38 00 24 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d | 2-1-2;2-2-3;..18.$...11;1-2-3;2- |
bcb80 | 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 31 39 00 22 00 00 | 1-3;2-1-8;2-1-11;2-1-28;..19.".. |
bcba0 | 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d | .3;1-1-3;1-1-8;1-1-11;2-1-1;2-2- |
bcbc0 | 33 3b 00 02 32 30 00 23 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 | 3;..20.#...8;1-1-1;1-1-3;2-1-3;2 |
bcbe0 | 2d 31 2d 31 31 3b 32 2d 32 2d 31 36 3b 00 02 32 31 00 16 00 00 00 31 3b 31 2d 31 2d 38 3b 31 2d | -1-11;2-2-16;..21.....1;1-1-8;1- |
bcc00 | 32 2d 31 36 3b 32 2d 31 2d 33 3b 00 02 32 32 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 | 2-16;2-1-3;..22.....16;1-1-1;2-1 |
bcc20 | 2d 38 3b 32 2d 31 2d 31 36 3b 00 02 32 33 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d | -8;2-1-16;..23.....16;1-1-1;2-1- |
bcc40 | 38 3b 32 2d 31 2d 31 36 3b 00 02 32 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 38 3b | 8;2-1-16;..24.....3;1-2-3;2-2-8; |
bcc60 | 32 2d 32 2d 31 31 3b 00 02 32 35 00 22 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d | 2-2-11;..25."...3;1-1-3;1-1-8;1- |
bcc80 | 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 36 00 24 00 00 00 31 31 3b 31 2d 32 | 1-11;2-1-1;2-2-3;..26.$...11;1-2 |
bcca0 | 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 32 | -3;2-1-3;2-1-8;2-1-11;2-1-28;..2 |
bccc0 | 37 00 23 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 | 7.#...8;1-1-1;1-1-3;2-1-3;2-1-11 |
bcce0 | 3b 32 2d 32 2d 31 36 3b 00 02 32 38 00 16 00 00 00 31 3b 31 2d 31 2d 38 3b 31 2d 32 2d 31 36 3b | ;2-2-16;..28.....1;1-1-8;1-2-16; |
bcd00 | 32 2d 31 2d 33 3b 00 02 32 39 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d | 2-1-3;..29.....16;1-1-1;2-1-8;2- |
bcd20 | 31 2d 31 36 3b 00 02 33 30 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 | 1-16;..30.....16;1-1-1;2-1-8;2-1 |
bcd40 | 2d 31 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 38 00 00 00 43 4f 43 28 3d 4f 29 63 31 63 63 63 63 | -16;....smiles.8...COC(=O)c1cccc |
bcd60 | 63 31 53 28 3d 4f 29 28 3d 4f 29 4e 43 28 3d 4f 29 4e 63 31 6e 63 28 4f 43 28 46 29 46 29 63 63 | c1S(=O)(=O)NC(=O)Nc1nc(OC(F)F)cc |
bcd80 | 28 6e 31 29 4f 43 28 46 29 46 00 09 75 70 64 61 74 65 64 5f 61 74 00 0d 8b 7d 46 50 01 00 00 09 | (n1)OC(F)F..updated_at...}FP.... |
bcda0 | 63 72 65 61 74 65 64 5f 61 74 00 df 81 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at...}FP....default_fing |
bcdc0 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 95 00 00 00 49 6e 43 68 | erprint_size......inchi.....InCh |
bcde0 | 49 3d 31 53 2f 43 31 35 48 31 32 46 34 4e 34 4f 37 53 2f 63 31 2d 32 38 2d 31 31 28 32 34 29 37 | I=1S/C15H12F4N4O7S/c1-28-11(24)7 |
bce00 | 2d 34 2d 32 2d 33 2d 35 2d 38 28 37 29 33 31 28 32 36 2c 32 37 29 32 33 2d 31 35 28 32 35 29 32 | -4-2-3-5-8(7)31(26,27)23-15(25)2 |
bce20 | 32 2d 31 34 2d 32 30 2d 39 28 32 39 2d 31 32 28 31 36 29 31 37 29 36 2d 31 30 28 32 31 2d 31 34 | 2-14-20-9(29-12(16)17)6-10(21-14 |
bce40 | 29 33 30 2d 31 33 28 31 38 29 31 39 2f 68 32 2d 36 2c 31 32 2d 31 33 48 2c 31 48 33 2c 28 48 32 | )30-13(18)19/h2-6,12-13H,1H3,(H2 |
bce60 | 2c 32 30 2c 32 31 2c 32 32 2c 32 33 2c 32 35 29 00 00 b3 03 00 00 07 5f 69 64 00 56 16 24 39 2b | ,20,21,22,23,25)......._id.V.$9+ |
bce80 | 72 ed 30 fb 00 01 3a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.0...:.warnings.......fingerpri |
bcea0 | 6e 74 73 00 9a 02 00 00 04 4d 50 32 44 00 8f 02 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 | nts......MP2D......0.....8;1-1-1 |
bcec0 | 3b 32 2d 32 2d 31 3b 00 02 31 00 22 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 | ;2-2-1;..1."...1;1-2-1;1-1-8;2-3 |
bcee0 | 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 32 00 15 00 00 00 31 3b 31 2d 34 2d 31 3b | -1;2-1-8;2-1-11;..2.....1;1-4-1; |
bcf00 | 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d | 2-1-1;2-1-8;..3.....1;1-1-1;2-3- |
bcf20 | 31 3b 00 02 34 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 35 00 0f 00 00 00 | 1;..4.....1;1-1-1;2-3-1;..5..... |
bcf40 | 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 36 00 2f 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | 1;1-1-1;2-3-1;..6./...1;1-1-1;1- |
bcf60 | 31 2d 38 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 | 1-8;1-1-11;2-1-1;2-2-3;2-1-8;2-1 |
bcf80 | 2d 31 31 3b 00 02 37 00 30 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 | -11;..7.0...11;1-1-1;1-1-3;1-1-1 |
bcfa0 | 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 38 00 24 | 1;2-1-1;2-1-3;2-1-8;2-1-11;..8.$ |
bcfc0 | 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 | ...11;1-1-3;1-1-11;2-1-1;2-1-3;2 |
bcfe0 | 2d 31 2d 31 31 3b 00 02 39 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 | -1-11;..9.....3;1-2-11;2-1-3;2-1 |
bd000 | 2d 31 31 3b 00 02 31 30 00 11 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 | -11;..10.....11;1-2-3;2-2-11;..1 |
bd020 | 31 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 | 1.....3;1-2-11;2-1-1;2-1-3;2-1-1 |
bd040 | 31 3b 00 02 31 32 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 | 1;..12."...8;1-1-1;1-1-3;2-1-1;2 |
bd060 | 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 33 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | -2-3;2-1-11;..13.....3;1-2-3;1-1 |
bd080 | 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | -8;2-1-1;2-2-3;..14.....3;1-2-3; |
bd0a0 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 2-2-3;2-1-8;..15.....3;1-2-3;2-2 |
bd0c0 | 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | -3;2-1-15;..16.....3;1-2-3;1-1-1 |
bd0e0 | 35 3b 32 2d 32 2d 33 3b 00 02 31 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 5;2-2-3;..17.....3;1-2-3;2-2-3;2 |
bd100 | 2d 31 2d 31 35 3b 00 02 31 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | -1-15;..18.....3;1-2-3;2-2-3;2-1 |
bd120 | 2d 38 3b 00 02 31 39 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 | -8;..19.....15;1-1-3;2-2-3;....s |
bd140 | 6d 69 6c 65 73 00 24 00 00 00 4f 43 28 43 28 43 29 28 43 29 43 29 43 28 6e 31 6e 63 6e 63 31 29 | miles.$...OC(C(C)(C)C)C(n1ncnc1) |
bd160 | 4f 63 31 63 63 63 28 63 63 31 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 de 8b 7d 46 50 01 | Oc1ccc(cc1)Cl..updated_at...}FP. |
bd180 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e6 81 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at...}FP....default_f |
bd1a0 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 65 00 00 00 49 | ingerprint_size......inchi.e...I |
bd1c0 | 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 38 43 6c 4e 33 4f 32 2f 63 31 2d 31 34 28 32 2c 33 29 31 | nChI=1S/C14H18ClN3O2/c1-14(2,3)1 |
bd1e0 | 32 28 31 39 29 31 33 28 31 38 2d 39 2d 31 36 2d 38 2d 31 37 2d 31 38 29 32 30 2d 31 31 2d 36 2d | 2(19)13(18-9-16-8-17-18)20-11-6- |
bd200 | 34 2d 31 30 28 31 35 29 35 2d 37 2d 31 31 2f 68 34 2d 39 2c 31 32 2d 31 33 2c 31 39 48 2c 31 2d | 4-10(15)5-7-11/h4-9,12-13,19H,1- |
bd220 | 33 48 33 00 00 8c 02 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 3b 04 77 61 72 6e 69 | 3H3......._id.V.$9+r.0...;.warni |
bd240 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 9b 01 00 00 04 4d 50 32 44 | ngs.......fingerprints......MP2D |
bd260 | 00 90 01 00 00 02 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 | ......0.....32;1-1-2;2-1-1;2-1-3 |
bd280 | 32 3b 00 02 31 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d 38 3b 00 | 2;..1.....2;1-1-1;1-2-32;2-1-8;. |
bd2a0 | 02 32 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 33 | .2.....32;1-1-2;2-1-1;2-1-32;..3 |
bd2c0 | 00 1c 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 32 2d 32 2d 33 32 3b | .....1;1-1-2;1-1-8;2-1-3;2-2-32; |
bd2e0 | 00 02 34 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d | ..4.....8;1-1-1;1-1-3;2-1-2;2-2- |
bd300 | 33 3b 00 02 35 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d | 3;..5.....3;1-2-3;1-1-8;2-2-1;2- |
bd320 | 32 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b | 2-3;..6.....3;1-2-3;2-2-3;2-1-8; |
bd340 | 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 38 | ..7.....3;1-2-3;2-2-3;2-1-15;..8 |
bd360 | 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 39 00 1c 00 | .....3;1-2-3;1-1-15;2-2-3;..9... |
bd380 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 | ..3;1-2-3;2-1-1;2-2-3;2-1-15;..1 |
bd3a0 | 30 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b | 0.....3;1-1-1;1-2-3;2-2-3;2-1-8; |
bd3c0 | 00 02 31 31 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 10 00 00 00 | ..11.....1;1-1-3;2-2-3;..12..... |
bd3e0 | 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 16 00 00 00 4f 43 | 15;1-1-3;2-2-3;....smiles.....OC |
bd400 | 28 3d 4f 29 43 4f 63 31 63 63 63 28 63 63 31 43 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 | (=O)COc1ccc(cc1C)Cl..updated_at. |
bd420 | 12 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ec 81 7d 46 50 01 00 00 10 64 65 66 | ..}FP....created_at...}FP....def |
bd440 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
bd460 | 00 4b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 39 43 6c 4f 33 2f 63 31 2d 36 2d 34 2d 37 28 | .K...InChI=1S/C9H9ClO3/c1-6-4-7( |
bd480 | 31 30 29 32 2d 33 2d 38 28 36 29 31 33 2d 35 2d 39 28 31 31 29 31 32 2f 68 32 2d 34 48 2c 35 48 | 10)2-3-8(6)13-5-9(11)12/h2-4H,5H |
bd4a0 | 32 2c 31 48 33 2c 28 48 2c 31 31 2c 31 32 29 00 00 f2 04 00 00 07 5f 69 64 00 56 16 24 39 2b 72 | 2,1H3,(H,11,12)......._id.V.$9+r |
bd4c0 | ed 30 fb 00 01 3c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .0...<.warnings.......fingerprin |
bd4e0 | 74 73 00 b2 03 00 00 04 4d 50 32 44 00 a7 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 39 3b | ts......MP2D......0.....1;1-1-9; |
bd500 | 32 2d 31 2d 32 3b 00 02 31 00 15 00 00 00 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d | 2-1-2;..1.....9;1-1-1;1-1-2;2-1- |
bd520 | 32 3b 00 02 32 00 21 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d | 2;..2.!...2;1-1-2;1-1-9;2-1-1;2- |
bd540 | 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 33 00 21 00 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 33 3b | 1-2;2-1-3;..3.!...2;1-2-2;1-1-3; |
bd560 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 34 00 21 00 00 00 33 3b 31 2d 31 2d | 2-2-3;2-1-8;2-2-9;..4.!...3;1-1- |
bd580 | 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 00 15 00 | 2;1-2-3;2-2-2;2-2-3;2-1-8;..5... |
bd5a0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 0f 00 00 00 33 3b | ..3;1-2-3;2-1-2;2-2-3;..6.....3; |
bd5c0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 1-2-3;2-2-3;..7.....3;1-2-3;2-2- |
bd5e0 | 33 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 | 3;..8.....3;1-2-3;2-2-3;2-1-8;.. |
bd600 | 39 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b | 9.....3;1-2-3;1-1-8;2-1-2;2-3-3; |
bd620 | 00 02 31 30 00 16 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 | ..10.....8;1-2-3;2-3-3;2-1-11;.. |
bd640 | 31 31 00 1c 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d | 11.....3;1-1-3;1-1-8;1-1-11;2-3- |
bd660 | 33 3b 00 02 31 32 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b | 3;..12.....11;1-2-3;2-1-3;2-1-8; |
bd680 | 32 2d 31 2d 31 31 3b 00 02 31 33 00 10 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d 33 3b 00 | 2-1-11;..13.....3;1-2-11;2-2-3;. |
bd6a0 | 02 31 34 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 | .14.....11;1-2-3;2-1-3;2-1-8;2-1 |
bd6c0 | 2d 31 31 3b 00 02 31 35 00 1c 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 | -11;..15.....3;1-1-3;1-1-8;1-1-1 |
bd6e0 | 31 3b 32 2d 33 2d 33 3b 00 02 31 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 38 3b 32 | 1;2-3-3;..16.....3;1-2-3;2-2-8;2 |
bd700 | 2d 32 2d 31 31 3b 00 02 31 37 00 16 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 | -2-11;..17.....8;1-2-3;2-3-3;2-1 |
bd720 | 2d 31 31 3b 00 02 31 38 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 | -11;..18.....3;1-2-3;1-1-8;2-3-3 |
bd740 | 3b 32 2d 31 2d 34 3b 00 02 31 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | ;2-1-4;..19.....3;1-2-3;2-2-3;2- |
bd760 | 31 2d 38 3b 00 02 32 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 31 00 | 1-8;..20.....3;1-2-3;2-2-3;..21. |
bd780 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 32 00 15 00 00 00 33 3b 31 2d 32 | ....3;1-2-3;2-2-3;..22.....3;1-2 |
bd7a0 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 34 3b 00 02 32 33 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-2-3;2-1-4;..23.!...3;1-2-3; |
bd7c0 | 31 2d 31 2d 34 3b 32 2d 32 2d 33 3b 32 2d 31 2d 37 3b 32 2d 31 2d 38 3b 00 02 32 34 00 15 00 00 | 1-1-4;2-2-3;2-1-7;2-1-8;..24.... |
bd7e0 | 00 34 3b 31 2d 31 2d 33 3b 31 2d 31 2d 37 3b 32 2d 32 2d 33 3b 00 02 32 35 00 0f 00 00 00 37 3b | .4;1-1-3;1-1-7;2-2-3;..25.....7; |
bd800 | 31 2d 31 2d 34 3b 32 2d 31 2d 33 3b 00 02 32 36 00 27 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 | 1-1-4;2-1-3;..26.'...2;1-1-2;1-1 |
bd820 | 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 32 37 00 | -8;1-1-9;2-1-1;2-1-2;2-1-3;..27. |
bd840 | 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 38 00 1b 00 00 | ....9;1-1-2;2-1-2;2-1-8;..28.... |
bd860 | 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 32 39 00 | .8;1-1-1;1-1-2;2-1-2;2-1-9;..29. |
bd880 | 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 2e 00 00 | ....1;1-1-8;2-1-2;....smiles.... |
bd8a0 | 00 43 4f 43 3d 43 28 63 31 63 63 63 63 63 31 4f 63 31 6e 63 6e 63 28 63 31 29 4f 63 31 63 63 63 | .COC=C(c1ccccc1Oc1ncnc(c1)Oc1ccc |
bd8c0 | 63 63 31 43 23 4e 29 43 28 3d 4f 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 15 8b 7d 46 50 | cc1C#N)C(=O)OC..updated_at...}FP |
bd8e0 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f3 81 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at...}FP....default_ |
bd900 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 82 00 00 00 | fingerprint_size......inchi..... |
bd920 | 49 6e 43 68 49 3d 31 53 2f 43 32 32 48 31 37 4e 33 4f 35 2f 63 31 2d 32 37 2d 31 33 2d 31 37 28 | InChI=1S/C22H17N3O5/c1-27-13-17( |
bd940 | 32 32 28 32 36 29 32 38 2d 32 29 31 36 2d 38 2d 34 2d 36 2d 31 30 2d 31 39 28 31 36 29 33 30 2d | 22(26)28-2)16-8-4-6-10-19(16)30- |
bd960 | 32 31 2d 31 31 2d 32 30 28 32 34 2d 31 34 2d 32 35 2d 32 31 29 32 39 2d 31 38 2d 39 2d 35 2d 33 | 21-11-20(24-14-25-21)29-18-9-5-3 |
bd980 | 2d 37 2d 31 35 28 31 38 29 31 32 2d 32 33 2f 68 33 2d 31 31 2c 31 33 2d 31 34 48 2c 31 2d 32 48 | -7-15(18)12-23/h3-11,13-14H,1-2H |
bd9a0 | 33 00 00 b8 03 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 3d 04 77 61 72 6e 69 6e 67 | 3......._id.V.$9+r.0...=.warning |
bd9c0 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a0 02 00 00 04 4d 50 32 44 00 95 | s.......fingerprints......MP2D.. |
bd9e0 | 02 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 | ....0.....15;1-1-3;2-2-3;..1.... |
bda00 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b | .3;1-2-3;1-1-15;2-2-3;..2.....3; |
bda20 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 | 1-2-3;2-2-3;2-1-15;..3.....3;1-2 |
bda40 | 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 | -3;2-1-1;2-2-3;..4.....3;1-1-1;1 |
bda60 | 2d 32 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 | -2-3;2-4-3;2-1-8;..5.....3;1-2-3 |
bda80 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | ;2-1-1;2-2-3;..6.....3;1-2-3;2-2 |
bdaa0 | 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 37 00 15 00 00 00 31 3b 31 2d 33 2d 33 3b 31 2d 31 2d 38 3b | -3;2-1-15;..7.....1;1-3-3;1-1-8; |
bdac0 | 32 2d 36 2d 33 3b 00 02 38 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 34 2d | 2-6-3;..8."...3;1-1-1;1-2-3;2-4- |
bdae0 | 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 35 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;2-1-8;2-1-15;..9.....3;1-2-3;2 |
bdb00 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -1-1;2-2-3;..10.....3;1-2-3;2-2- |
bdb20 | 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 16 00 | 3;..11.....3;1-2-3;2-2-3;..12... |
bdb40 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 33 00 1c 00 00 00 | ..3;1-2-3;2-2-3;2-1-15;..13..... |
bdb60 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 34 00 | 3;1-2-3;1-1-15;2-1-1;2-2-3;..14. |
bdb80 | 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 22 00 00 00 33 3b 31 2d | ....15;1-1-3;2-2-3;..15."...3;1- |
bdba0 | 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 31 3b 00 02 31 | 1-1;1-2-3;2-2-3;2-1-8;2-2-11;..1 |
bdbc0 | 36 00 1c 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | 6.....3;1-1-3;1-1-11;2-1-1;2-2-3 |
bdbe0 | 3b 00 02 31 37 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b | ;..17.....11;1-2-3;2-1-3;2-1-11; |
bdc00 | 00 02 31 38 00 10 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 39 00 17 00 00 | ..18.....3;1-2-11;2-2-3;..19.... |
bdc20 | 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 30 00 1c 00 00 00 | .11;1-2-3;2-1-3;2-1-11;..20..... |
bdc40 | 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 31 00 | 3;1-1-3;1-1-11;2-1-1;2-2-3;..21. |
bdc60 | 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 25 00 00 | ....8;1-1-1;2-3-3;....smiles.%.. |
bdc80 | 00 43 6c 63 31 63 63 63 28 63 63 31 29 43 28 63 31 63 63 63 63 63 31 43 6c 29 28 63 31 63 6e 63 | .Clc1ccc(cc1)C(c1ccccc1Cl)(c1cnc |
bdca0 | 6e 63 31 29 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 17 8b 7d 46 50 01 00 00 09 63 72 65 61 74 | nc1)O..updated_at...}FP....creat |
bdcc0 | 65 64 5f 61 74 00 fa 81 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at...}FP....default_fingerpri |
bdce0 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 63 00 00 00 49 6e 43 68 49 3d 31 53 2f | nt_size......inchi.c...InChI=1S/ |
bdd00 | 43 31 37 48 31 32 43 6c 32 4e 32 4f 2f 63 31 38 2d 31 34 2d 37 2d 35 2d 31 32 28 36 2d 38 2d 31 | C17H12Cl2N2O/c18-14-7-5-12(6-8-1 |
bdd20 | 34 29 31 37 28 32 32 2c 31 33 2d 39 2d 32 30 2d 31 31 2d 32 31 2d 31 30 2d 31 33 29 31 35 2d 33 | 4)17(22,13-9-20-11-21-10-13)15-3 |
bdd40 | 2d 31 2d 32 2d 34 2d 31 36 28 31 35 29 31 39 2f 68 31 2d 31 31 2c 32 32 48 00 00 42 01 00 00 07 | -1-2-4-16(15)19/h1-11,22H..B.... |
bdd60 | 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 3e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V.$9+r.0...>.warnings....... |
bdd80 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 7c 00 00 00 04 4d 50 32 44 00 71 00 00 00 02 30 00 11 00 | fingerprints.|....MP2D.q....0... |
bdda0 | 00 00 33 32 3b 31 2d 31 2d 31 34 3b 32 2d 32 2d 39 3b 00 02 31 00 11 00 00 00 31 34 3b 31 2d 32 | ..32;1-1-14;2-2-9;..1.....14;1-2 |
bddc0 | 2d 39 3b 31 2d 31 2d 33 32 3b 00 02 32 00 17 00 00 00 39 3b 31 2d 31 2d 31 34 3b 32 2d 31 2d 39 | -9;1-1-32;..2.....9;1-1-14;2-1-9 |
bdde0 | 3b 32 2d 31 2d 33 32 3b 00 02 33 00 17 00 00 00 39 3b 31 2d 31 2d 31 34 3b 32 2d 31 2d 39 3b 32 | ;2-1-32;..3.....9;1-1-14;2-1-9;2 |
bde00 | 2d 31 2d 33 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 0f 00 00 00 5b 4f 2d 5d 5b 42 72 5d 28 3d 4f | -1-32;....smiles.....[O-][Br](=O |
bde20 | 29 3d 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 19 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 | )=O..updated_at...}FP....created |
bde40 | 5f 61 74 00 00 82 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...}FP....default_fingerprint |
bde60 | 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 27 00 00 00 49 6e 43 68 49 3d 31 53 2f 42 72 | _size......inchi.'...InChI=1S/Br |
bde80 | 48 4f 33 2f 63 32 2d 31 28 33 29 34 2f 68 28 48 2c 32 2c 33 2c 34 29 2f 70 2d 31 00 00 89 01 00 | HO3/c2-1(3)4/h(H,2,3,4)/p-1..... |
bdea0 | 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 3f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V.$9+r.0...?.warnings..... |
bdec0 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 bd 00 00 00 04 4d 50 32 44 00 b2 00 00 00 02 30 00 | ..fingerprints......MP2D......0. |
bdee0 | 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d | ....1;1-1-1;2-1-8;..1.....1;1-1- |
bdf00 | 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 32 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 | 1;1-1-8;2-1-12;..2."...8;1-1-1;1 |
bdf20 | 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 33 00 16 00 00 00 | -1-12;2-1-1;2-1-8;2-1-9;..3..... |
bdf40 | 31 32 3b 31 2d 32 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 00 02 34 00 10 00 00 00 39 3b 31 | 12;1-2-8;1-1-9;2-1-1;..4.....9;1 |
bdf60 | 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 00 02 35 00 16 00 00 00 38 3b 31 2d 31 2d 31 32 3b 32 2d 31 | -1-12;2-2-8;..5.....8;1-1-12;2-1 |
bdf80 | 2d 38 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 0a 00 00 00 43 43 4f 50 28 3d 4f 29 | -8;2-1-9;....smiles.....CCOP(=O) |
bdfa0 | 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 1b 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | O..updated_at...}FP....created_a |
bdfc0 | 74 00 06 82 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t...}FP....default_fingerprint_s |
bdfe0 | 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 32 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 37 | ize......inchi.2...InChI=1S/C2H7 |
be000 | 4f 33 50 2f 63 31 2d 32 2d 35 2d 36 28 33 29 34 2f 68 36 48 2c 32 48 32 2c 31 48 33 2c 28 48 2c | O3P/c1-2-5-6(3)4/h6H,2H2,1H3,(H, |
be020 | 33 2c 34 29 00 00 91 03 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 40 04 77 61 72 6e | 3,4)......._id.V.$9+r.0...@.warn |
be040 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 7c 02 00 00 04 4d 50 32 | ings.......fingerprints.|....MP2 |
be060 | 44 00 71 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 16 | D.q....0.....1;1-1-1;2-1-8;..1.. |
be080 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 32 00 28 00 00 00 | ...1;1-1-1;1-1-8;2-1-12;..2.(... |
be0a0 | 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 | 8;1-1-1;1-1-12;2-1-1;2-1-5;2-1-8 |
be0c0 | 3b 32 2d 31 2d 39 3b 00 02 33 00 22 00 00 00 31 32 3b 31 2d 31 2d 35 3b 31 2d 32 2d 38 3b 31 2d | ;2-1-9;..3."...12;1-1-5;1-2-8;1- |
be0e0 | 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 34 00 16 00 00 00 39 3b 31 2d 31 2d 31 32 | 1-9;2-2-1;2-1-3;..4.....9;1-1-12 |
be100 | 3b 32 2d 31 2d 35 3b 32 2d 32 2d 38 3b 00 02 35 00 28 00 00 00 38 3b 31 2d 31 2d 33 3b 31 2d 31 | ;2-1-5;2-2-8;..5.(...8;1-1-3;1-1 |
be120 | 2d 31 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 36 00 | -12;2-2-3;2-1-5;2-1-8;2-1-9;..6. |
be140 | 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 32 3b 00 | ....3;1-2-3;1-1-8;2-2-3;2-1-12;. |
be160 | 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 16 | .7.....3;1-2-3;2-2-3;2-1-8;..8.. |
be180 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 39 00 1c 00 00 00 | ...3;1-2-3;2-2-3;2-1-10;..9..... |
be1a0 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 | 3;1-2-3;1-1-10;2-2-1;2-2-3;..10. |
be1c0 | 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 | ....3;1-1-1;1-2-3;2-2-3;2-1-10;. |
be1e0 | 02 31 31 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d | .11.....3;1-2-3;2-1-1;2-2-3;2-1- |
be200 | 38 3b 00 02 31 32 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 16 00 | 8;..12.....1;1-1-3;2-2-3;..13... |
be220 | 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 10 00 00 00 | ..10;1-1-1;1-1-3;2-2-3;..14..... |
be240 | 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 00 02 31 35 00 22 00 00 00 35 3b 31 2d 31 2d 31 3b | 1;1-1-10;2-1-3;..15."...5;1-1-1; |
be260 | 31 2d 31 2d 31 32 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 36 00 16 00 | 1-1-12;2-2-1;2-2-8;2-1-9;..16... |
be280 | 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 32 3b 00 02 31 37 00 15 00 00 00 | ..1;1-2-1;1-1-5;2-1-12;..17..... |
be2a0 | 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 38 00 15 00 00 00 31 3b 31 | 1;1-1-1;2-1-1;2-1-5;..18.....1;1 |
be2c0 | 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 21 00 00 00 | -1-1;2-1-1;2-1-5;....smiles.!... |
be2e0 | 43 43 4f 50 28 3d 4f 29 28 4f 63 31 63 63 63 28 63 28 63 31 29 43 29 53 43 29 4e 43 28 43 29 43 | CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C |
be300 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 04 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at...}FP....created_at |
be320 | 00 0f 82 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | ...}FP....default_fingerprint_si |
be340 | 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 64 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 33 48 32 | ze......inchi.d...InChI=1S/C13H2 |
be360 | 32 4e 4f 33 50 53 2f 63 31 2d 36 2d 31 36 2d 31 38 28 31 35 2c 31 34 2d 31 30 28 32 29 33 29 31 | 2NO3PS/c1-6-16-18(15,14-10(2)3)1 |
be380 | 37 2d 31 32 2d 37 2d 38 2d 31 33 28 31 39 2d 35 29 31 31 28 34 29 39 2d 31 32 2f 68 37 2d 31 30 | 7-12-7-8-13(19-5)11(4)9-12/h7-10 |
be3a0 | 48 2c 36 48 32 2c 31 2d 35 48 33 2c 28 48 2c 31 34 2c 31 35 29 00 00 a2 03 00 00 07 5f 69 64 00 | H,6H2,1-5H3,(H,14,15)......._id. |
be3c0 | 56 16 24 39 2b 72 ed 30 fb 00 01 41 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V.$9+r.0...A.warnings.......fing |
be3e0 | 65 72 70 72 69 6e 74 73 00 a1 02 00 00 04 4d 50 32 44 00 96 02 00 00 02 30 00 0f 00 00 00 31 3b | erprints......MP2D......0.....1; |
be400 | 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 1-1-1;2-1-8;..1.....1;1-1-1;1-1- |
be420 | 38 3b 32 2d 31 2d 31 32 3b 00 02 32 00 2a 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b | 8;2-1-12;..2.*...8;1-1-1;1-1-12; |
be440 | 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 33 00 1e 00 | 2-1-1;2-1-8;2-1-10;2-1-18;..3... |
be460 | 00 00 31 32 3b 31 2d 32 2d 38 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 31 38 3b 32 2d 33 2d 31 3b 00 | ..12;1-2-8;1-1-10;1-1-18;2-3-1;. |
be480 | 02 34 00 18 00 00 00 31 38 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 30 3b 00 02 | .4.....18;1-1-12;2-2-8;2-1-10;.. |
be4a0 | 35 00 2a 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 | 5.*...8;1-1-1;1-1-12;2-1-1;2-1-8 |
be4c0 | 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 36 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | ;2-1-10;2-1-18;..6.....1;1-1-1;1 |
be4e0 | 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d | -1-8;2-1-12;..7.....1;1-1-1;2-1- |
be500 | 38 3b 00 02 38 00 25 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b | 8;..8.%...10;1-1-1;1-1-12;2-2-8; |
be520 | 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 39 00 11 00 00 00 31 3b 31 2d 32 2d 31 30 3b 32 | 2-1-10;2-1-18;..9.....1;1-2-10;2 |
be540 | 2d 32 2d 31 32 3b 00 02 31 30 00 25 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 | -2-12;..10.%...10;1-1-1;1-1-12;2 |
be560 | 2d 32 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 31 31 00 1e 00 00 00 31 32 3b 31 | -2-8;2-1-10;2-1-18;..11.....12;1 |
be580 | 2d 32 2d 38 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 31 38 3b 32 2d 33 2d 31 3b 00 02 31 32 00 18 00 | -2-8;1-1-10;1-1-18;2-3-1;..12... |
be5a0 | 00 00 31 38 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 30 3b 00 02 31 33 00 2a 00 | ..18;1-1-12;2-2-8;2-1-10;..13.*. |
be5c0 | 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 | ..8;1-1-1;1-1-12;2-1-1;2-1-8;2-1 |
be5e0 | 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 31 34 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -10;2-1-18;..14.....1;1-1-1;1-1- |
be600 | 38 3b 32 2d 31 2d 31 32 3b 00 02 31 35 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b | 8;2-1-12;..15.....1;1-1-1;2-1-8; |
be620 | 00 02 31 36 00 2a 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d | ..16.*...8;1-1-1;1-1-12;2-1-1;2- |
be640 | 31 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 31 37 00 16 00 00 00 31 3b 31 2d 31 | 1-8;2-1-10;2-1-18;..17.....1;1-1 |
be660 | 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 38 00 0f 00 00 00 31 3b 31 2d 31 2d 31 | -1;1-1-8;2-1-12;..18.....1;1-1-1 |
be680 | 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 1e 00 00 00 43 43 4f 50 28 3d 53 29 28 4f | ;2-1-8;....smiles.....CCOP(=S)(O |
be6a0 | 43 43 29 53 43 53 50 28 3d 53 29 28 4f 43 43 29 4f 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 | CC)SCSP(=S)(OCC)OCC..updated_at. |
be6c0 | 24 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 19 82 7d 46 50 01 00 00 10 64 65 66 | $.}FP....created_at...}FP....def |
be6e0 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
be700 | 00 53 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 32 32 4f 34 50 32 53 34 2f 63 31 2d 35 2d 31 | .S...InChI=1S/C9H22O4P2S4/c1-5-1 |
be720 | 30 2d 31 34 28 31 36 2c 31 31 2d 36 2d 32 29 31 38 2d 39 2d 31 39 2d 31 35 28 31 37 2c 31 32 2d | 0-14(16,11-6-2)18-9-19-15(17,12- |
be740 | 37 2d 33 29 31 33 2d 38 2d 34 2f 68 35 2d 39 48 32 2c 31 2d 34 48 33 00 00 78 0e 00 00 07 5f 69 | 7-3)13-8-4/h5-9H2,1-4H3..x...._i |
be760 | 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 42 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V.$9+r.0...B.warnings.......fi |
be780 | 6e 67 65 72 70 72 69 6e 74 73 00 b1 0b 00 00 04 4d 50 32 44 00 a6 0b 00 00 02 30 00 0f 00 00 00 | ngerprints......MP2D......0..... |
be7a0 | 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 00 02 31 00 16 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d | 1;1-1-8;2-1-1;..1.....8;1-2-1;2- |
be7c0 | 32 2d 31 3b 32 2d 31 2d 31 33 3b 00 02 32 00 29 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 | 2-1;2-1-13;..2.)...1;1-2-1;1-1-8 |
be7e0 | 3b 31 2d 31 2d 31 33 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 33 3b 00 02 33 00 16 | ;1-1-13;2-3-1;2-1-8;2-1-13;..3.. |
be800 | 00 00 00 31 33 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 00 1c 00 00 00 | ...13;1-1-1;2-2-1;2-1-8;..4..... |
be820 | 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 33 2d 38 3b 32 2d 32 2d 31 33 3b 00 02 35 00 1c | 1;1-2-1;2-1-1;2-3-8;2-2-13;..5.. |
be840 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 38 3b 31 2d 31 2d 31 33 3b 32 2d 33 2d 31 3b 00 02 | ...1;1-1-1;1-2-8;1-1-13;2-3-1;.. |
be860 | 36 00 16 00 00 00 31 33 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 00 02 37 00 22 | 6.....13;1-1-1;2-1-1;2-2-8;..7." |
be880 | 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 32 | ...8;1-2-1;2-2-1;2-1-2;2-1-8;2-2 |
be8a0 | 2d 31 33 3b 00 02 38 00 2f 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b | -13;..8./...1;1-1-1;1-1-2;1-1-8; |
be8c0 | 31 2d 31 2d 31 33 3b 32 2d 33 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 31 33 3b 00 02 39 00 1c 00 | 1-1-13;2-3-1;2-2-2;2-1-13;..9... |
be8e0 | 00 00 31 33 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 | ..13;1-1-1;2-1-1;2-1-2;2-1-8;..1 |
be900 | 30 00 29 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 33 3b 32 2d 32 2d 32 | 0.)...1;1-2-1;1-1-2;1-1-13;2-2-2 |
be920 | 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 33 3b 00 02 31 31 00 16 00 00 00 31 33 3b 31 2d 31 2d 31 3b | ;2-1-8;2-1-13;..11.....13;1-1-1; |
be940 | 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 32 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 | 2-2-1;2-1-2;..12.....1;1-1-1;2-1 |
be960 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 33 3b 00 02 31 33 00 22 00 00 00 32 3b 31 2d 31 2d 31 | -1;2-1-2;2-1-13;..13."...2;1-1-1 |
be980 | 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 33 3b 00 02 31 34 00 15 | ;1-1-2;2-2-1;2-1-2;2-1-13;..14.. |
be9a0 | 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 35 00 15 00 00 00 | ...2;1-2-2;2-1-1;2-1-2;..15..... |
be9c0 | 32 3b 31 2d 32 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 36 00 21 00 00 00 32 3b 31 | 2;1-2-2;2-2-1;2-1-2;..16.!...2;1 |
be9e0 | 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 38 3b 00 02 31 | -2-1;1-1-2;2-2-1;2-1-2;2-2-8;..1 |
bea00 | 37 00 1b 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b | 7.....1;1-1-2;1-1-8;2-2-1;2-1-2; |
bea20 | 00 02 31 38 00 1c 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 | ..18.....8;1-2-1;2-2-1;2-1-2;2-1 |
bea40 | 2d 31 33 3b 00 02 31 39 00 2f 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 | -13;..19./...1;1-2-1;1-1-8;1-1-1 |
bea60 | 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 33 3b 00 02 32 30 00 | 3;2-2-1;2-2-2;2-2-8;2-1-13;..20. |
bea80 | 16 00 00 00 31 33 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 31 00 2e 00 | ....13;1-1-1;2-2-1;2-1-8;..21... |
beaa0 | 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 33 2d | ..1;1-2-1;1-1-2;1-1-8;2-2-1;2-3- |
beac0 | 32 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 33 3b 00 02 32 32 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b | 2;2-1-8;2-2-13;..22.....8;1-1-1; |
beae0 | 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 33 00 2e 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 | 2-2-1;2-1-2;..23.....1;1-1-1;1-2 |
beb00 | 2d 32 3b 31 2d 31 2d 31 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d | -2;1-1-13;2-1-1;2-2-2;2-2-8;2-1- |
beb20 | 39 3b 00 02 32 34 00 16 00 00 00 31 33 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b | 9;..24.....13;1-1-1;2-1-1;2-2-2; |
beb40 | 00 02 32 35 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 | ..25."...2;1-1-1;1-1-2;2-3-1;2-1 |
beb60 | 2d 32 3b 32 2d 31 2d 31 33 3b 00 02 32 36 00 22 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 | -2;2-1-13;..26."...2;1-2-1;1-1-2 |
beb80 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 33 3b 00 02 32 37 00 35 00 00 00 31 3b 31 | ;2-2-1;2-1-8;2-1-13;..27.5...1;1 |
beba0 | 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 33 3b 32 2d 32 2d 31 3b 32 2d | -1-1;1-1-2;1-1-8;1-1-13;2-2-1;2- |
bebc0 | 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 33 3b 00 02 32 38 00 1c 00 00 00 31 33 3b 31 2d 31 | 1-2;2-1-8;2-1-13;..28.....13;1-1 |
bebe0 | 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 39 00 1c 00 00 00 38 3b | -1;2-1-1;2-1-2;2-1-8;..29.....8; |
bec00 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 33 3b 00 02 33 30 00 15 00 | 1-1-1;2-1-1;2-1-2;2-1-13;..30... |
bec20 | 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 31 00 28 00 00 00 32 | ..1;1-1-2;2-1-1;2-1-2;..31.(...2 |
bec40 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 | ;1-1-1;1-1-8;1-1-9;2-2-1;2-1-2;2 |
bec60 | 2d 31 2d 31 33 3b 00 02 33 32 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 | -1-13;..32.....9;1-1-2;2-1-1;2-1 |
bec80 | 2d 38 3b 00 02 33 33 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b | -8;..33."...8;1-1-1;1-1-2;2-3-1; |
beca0 | 32 2d 31 2d 39 3b 32 2d 31 2d 31 33 3b 00 02 33 34 00 22 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d | 2-1-9;2-1-13;..34."...1;1-2-1;1- |
becc0 | 31 2d 38 3b 31 2d 31 2d 31 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 35 00 16 00 00 00 | 1-8;1-1-13;2-2-1;2-1-2;..35..... |
bece0 | 31 33 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 36 00 1c 00 00 00 31 3b | 13;1-1-1;2-2-1;2-1-8;..36.....1; |
bed00 | 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 32 2d 32 2d 31 33 3b 00 02 33 37 00 22 00 | 1-2-1;2-2-1;2-2-8;2-2-13;..37.". |
bed20 | 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 33 3b 32 2d 32 2d 31 3b 32 2d 31 | ..1;1-2-1;1-1-8;1-1-13;2-2-1;2-1 |
bed40 | 2d 32 3b 00 02 33 38 00 16 00 00 00 31 33 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 | -2;..38.....13;1-1-1;2-2-1;2-1-8 |
bed60 | 3b 00 02 33 39 00 28 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d | ;..39.(...1;1-1-1;1-1-2;2-1-1;2- |
bed80 | 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 33 3b 00 02 34 30 00 15 00 00 00 32 3b 31 2d 31 2d | 1-2;2-1-8;2-1-13;..40.....2;1-1- |
beda0 | 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 00 02 34 31 00 22 00 00 00 32 3b 31 2d 32 2d 31 3b 31 | 1;1-1-2;2-3-1;..41."...2;1-2-1;1 |
bedc0 | 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 33 3b 00 02 34 32 00 15 00 00 | -1-2;2-2-1;2-1-8;2-1-13;..42.... |
bede0 | 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 33 00 22 00 00 00 38 3b | .1;1-1-2;2-1-1;2-1-2;..43."...8; |
bee00 | 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 33 3b 00 | 1-2-1;2-3-1;2-1-2;2-1-8;2-1-13;. |
bee20 | 02 34 34 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 32 2d 38 3b 32 2d 33 2d | .44.!...1;1-1-1;1-1-2;1-2-8;2-3- |
bee40 | 31 3b 32 2d 31 2d 32 3b 00 02 34 35 00 22 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 | 1;2-1-2;..45."...1;1-2-1;2-1-1;2 |
bee60 | 2d 31 2d 32 3b 32 2d 33 2d 38 3b 32 2d 31 2d 31 33 3b 00 02 34 36 00 1b 00 00 00 32 3b 31 2d 31 | -1-2;2-3-8;2-1-13;..46.....2;1-1 |
bee80 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 34 37 00 1c 00 00 00 32 3b | -1;1-1-2;2-2-1;2-2-8;..47.....2; |
beea0 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 31 33 3b 00 02 34 38 00 2f 00 | 1-1-1;1-1-2;2-3-1;2-1-13;..48./. |
beec0 | 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 33 3b 32 2d 31 2d 31 3b 32 2d 31 | ..1;1-2-1;1-1-2;1-1-13;2-1-1;2-1 |
beee0 | 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 33 3b 00 02 34 39 00 16 00 00 00 31 33 3b 31 2d 31 2d | -2;2-1-8;2-1-13;..49.....13;1-1- |
bef00 | 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 35 30 00 29 00 00 00 31 3b 31 2d 32 2d 31 3b 31 | 1;2-2-1;2-1-2;..50.)...1;1-2-1;1 |
bef20 | 2d 31 2d 38 3b 31 2d 31 2d 31 33 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 31 33 3b 00 | -1-8;1-1-13;2-4-1;2-1-2;2-2-13;. |
bef40 | 02 35 31 00 16 00 00 00 31 33 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 | .51.....13;1-1-1;2-2-1;2-1-8;..5 |
bef60 | 32 00 22 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b | 2."...8;1-2-1;2-3-1;2-1-2;2-1-8; |
bef80 | 32 2d 31 2d 31 33 3b 00 02 35 33 00 23 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 31 33 3b 32 | 2-1-13;..53.#...1;1-3-1;1-1-13;2 |
befa0 | 2d 32 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 33 3b 00 02 35 34 00 10 00 00 00 31 33 3b 31 2d | -2-1;2-1-8;2-1-13;..54.....13;1- |
befc0 | 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 35 35 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 | 1-1;2-3-1;..55.....1;1-2-1;2-2-1 |
befe0 | 3b 32 2d 31 2d 31 33 3b 00 02 35 36 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 | ;2-1-13;..56.....1;1-1-1;2-1-1;. |
bf000 | 02 35 37 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 33 3b 00 02 35 | .57.....1;1-1-1;2-2-1;2-1-13;..5 |
bf020 | 38 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 33 | 8.....1;1-1-1;2-1-1;2-1-2;2-1-13 |
bf040 | 3b 00 02 35 39 00 1c 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 32 2d | ;..59.....8;1-2-1;2-3-1;2-1-8;2- |
bf060 | 32 2d 31 33 3b 00 02 36 30 00 29 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d | 2-13;..60.)...1;1-2-1;1-1-8;1-1- |
bf080 | 31 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 33 3b 00 02 36 31 00 16 00 00 00 31 | 13;2-2-1;2-1-8;2-1-13;..61.....1 |
bf0a0 | 33 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 36 32 00 29 00 00 00 31 3b 31 | 3;1-1-1;2-2-1;2-1-8;..62.)...1;1 |
bf0c0 | 2d 32 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 33 3b 32 2d 33 2d 31 3b 32 2d 32 2d 38 3b 32 2d | -2-1;1-1-8;1-1-13;2-3-1;2-2-8;2- |
bf0e0 | 32 2d 31 33 3b 00 02 36 33 00 16 00 00 00 31 33 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 | 2-13;..63.....13;1-1-1;2-2-1;2-1 |
bf100 | 2d 38 3b 00 02 36 34 00 1c 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b | -8;..64.....8;1-2-1;2-3-1;2-1-8; |
bf120 | 32 2d 32 2d 31 33 3b 00 02 36 35 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 38 3b 31 2d | 2-2-13;..65.....1;1-1-1;1-2-8;1- |
bf140 | 31 2d 31 33 3b 32 2d 33 2d 31 3b 00 02 36 36 00 16 00 00 00 31 33 3b 31 2d 31 2d 31 3b 32 2d 31 | 1-13;2-3-1;..66.....13;1-1-1;2-1 |
bf160 | 2d 31 3b 32 2d 32 2d 38 3b 00 02 36 37 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b | -1;2-2-8;..67.....1;1-2-1;2-1-1; |
bf180 | 32 2d 33 2d 38 3b 32 2d 32 2d 31 33 3b 00 02 36 38 00 29 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d | 2-3-8;2-2-13;..68.)...1;1-2-1;1- |
bf1a0 | 31 2d 38 3b 31 2d 31 2d 31 33 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 33 3b 00 02 | 1-8;1-1-13;2-3-1;2-1-8;2-1-13;.. |
bf1c0 | 36 39 00 16 00 00 00 31 33 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 37 30 | 69.....13;1-1-1;2-2-1;2-1-8;..70 |
bf1e0 | 00 16 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 33 3b 00 02 37 31 00 0f | .....8;1-2-1;2-2-1;2-1-13;..71.. |
bf200 | 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 00 02 37 32 00 29 00 00 00 31 3b 31 2d 32 2d | ...1;1-1-8;2-1-1;..72.)...1;1-2- |
bf220 | 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 32 2d 32 2d 31 | 1;1-1-8;1-1-13;2-2-1;2-2-8;2-2-1 |
bf240 | 33 3b 00 02 37 33 00 16 00 00 00 31 33 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b | 3;..73.....13;1-1-1;2-2-1;2-1-8; |
bf260 | 00 02 37 34 00 29 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 33 3b 32 2d | ..74.)...1;1-2-1;1-1-8;1-1-13;2- |
bf280 | 32 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 33 3b 00 02 37 35 00 16 00 00 00 31 33 3b 31 2d 31 | 2-1;2-1-8;2-1-13;..75.....13;1-1 |
bf2a0 | 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 37 36 00 1c 00 00 00 38 3b 31 2d 32 2d 31 3b | -1;2-2-1;2-1-8;..76.....8;1-2-1; |
bf2c0 | 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 33 3b 00 02 37 37 00 1c 00 00 00 31 3b 31 2d | 2-3-1;2-1-8;2-2-13;..77.....1;1- |
bf2e0 | 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 33 3b 00 02 37 38 00 16 00 00 00 | 1-1;2-1-1;2-1-8;2-1-13;..78..... |
bf300 | 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 33 3b 00 02 37 39 00 1c 00 00 00 31 3b | 8;1-1-1;2-2-1;2-1-13;..79.....1; |
bf320 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 33 3b 00 00 00 02 73 6d 69 | 1-1-1;2-1-1;2-1-8;2-1-13;....smi |
bf340 | 6c 65 73 00 c5 00 00 00 43 4f 5b 43 40 48 5d 31 43 5b 43 40 48 5d 28 4f 5b 43 40 48 5d 32 5b 43 | les.....CO[C@H]1C[C@H](O[C@H]2[C |
bf360 | 40 40 48 5d 28 43 29 43 3d 43 43 3d 43 33 43 4f 5b 43 40 48 5d 34 5b 43 40 5d 33 28 4f 29 5b 43 | @@H](C)C=CC=C3CO[C@H]4[C@]3(O)[C |
bf380 | 40 40 48 5d 28 43 3d 43 28 5b 43 40 48 5d 34 4f 29 43 29 43 28 3d 4f 29 4f 5b 43 40 48 5d 33 43 | @@H](C=C([C@H]4O)C)C(=O)O[C@H]3C |
bf3a0 | 5b 43 40 40 48 5d 28 43 43 3d 43 32 43 29 4f 5b 43 40 5d 32 28 43 33 29 43 3d 43 5b 43 40 40 48 | [C@@H](CC=C2C)O[C@]2(C3)C=C[C@@H |
bf3c0 | 5d 28 5b 43 40 48 5d 28 4f 32 29 5b 43 40 48 5d 28 43 43 29 43 29 43 29 4f 5b 43 40 48 5d 28 5b | ]([C@H](O2)[C@H](CC)C)C)O[C@H]([ |
bf3e0 | 43 40 40 48 5d 31 4f 5b 43 40 48 5d 31 43 5b 43 40 48 5d 28 4f 43 29 5b 43 40 48 5d 28 5b 43 40 | C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@ |
bf400 | 40 48 5d 28 4f 31 29 43 29 4f 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 2b 8b 7d 46 50 01 00 | @H](O1)C)O)C..updated_at.+.}FP.. |
bf420 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 30 82 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at.0.}FP....default_fi |
bf440 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 72 01 00 00 49 6e | ngerprint_size......inchi.r...In |
bf460 | 43 68 49 3d 31 53 2f 43 34 38 48 37 32 4f 31 34 2f 63 31 2d 31 31 2d 32 35 28 32 29 34 33 2d 32 | ChI=1S/C48H72O14/c1-11-25(2)43-2 |
bf480 | 38 28 35 29 31 37 2d 31 38 2d 34 37 28 36 32 2d 34 33 29 32 33 2d 33 34 2d 32 30 2d 33 33 28 36 | 8(5)17-18-47(62-43)23-34-20-33(6 |
bf4a0 | 31 2d 34 37 29 31 36 2d 31 35 2d 32 37 28 34 29 34 32 28 32 36 28 33 29 31 33 2d 31 32 2d 31 34 | 1-47)16-15-27(4)42(26(3)13-12-14 |
bf4c0 | 2d 33 32 2d 32 34 2d 35 35 2d 34 35 2d 34 30 28 34 39 29 32 39 28 36 29 31 39 2d 33 35 28 34 36 | -32-24-55-45-40(49)29(6)19-35(46 |
bf4e0 | 28 35 31 29 35 38 2d 33 34 29 34 38 28 33 32 2c 34 35 29 35 32 29 35 39 2d 33 39 2d 32 32 2d 33 | (51)58-34)48(32,45)52)59-39-22-3 |
bf500 | 37 28 35 34 2d 31 30 29 34 34 28 33 31 28 38 29 35 37 2d 33 39 29 36 30 2d 33 38 2d 32 31 2d 33 | 7(54-10)44(31(8)57-39)60-38-21-3 |
bf520 | 36 28 35 33 2d 39 29 34 31 28 35 30 29 33 30 28 37 29 35 36 2d 33 38 2f 68 31 32 2d 31 35 2c 31 | 6(53-9)41(50)30(7)56-38/h12-15,1 |
bf540 | 37 2d 31 39 2c 32 35 2d 32 36 2c 32 38 2c 33 30 2d 33 31 2c 33 33 2d 34 35 2c 34 39 2d 35 30 2c | 7-19,25-26,28,30-31,33-45,49-50, |
bf560 | 35 32 48 2c 31 31 2c 31 36 2c 32 30 2d 32 34 48 32 2c 31 2d 31 30 48 33 2f 74 32 35 2d 2c 32 36 | 52H,11,16,20-24H2,1-10H3/t25-,26 |
bf580 | 2d 2c 32 38 2d 2c 33 30 2d 2c 33 31 2d 2c 33 33 2b 2c 33 34 2d 2c 33 35 2d 2c 33 36 2d 2c 33 37 | -,28-,30-,31-,33+,34-,35-,36-,37 |
bf5a0 | 2d 2c 33 38 2d 2c 33 39 2d 2c 34 30 2b 2c 34 31 2d 2c 34 32 2d 2c 34 33 2b 2c 34 34 2d 2c 34 35 | -,38-,39-,40+,41-,42-,43+,44-,45 |
bf5c0 | 2b 2c 34 37 2b 2c 34 38 2b 2f 6d 30 2f 73 31 00 00 00 01 00 00 07 5f 69 64 00 56 16 24 39 2b 72 | +,47+,48+/m0/s1......._id.V.$9+r |
bf5e0 | ed 30 fb 00 01 43 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .0...C.warnings.......fingerprin |
bf600 | 74 73 00 55 00 00 00 04 4d 50 32 44 00 4a 00 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 34 | ts.U....MP2D.J....0.....15;1-1-4 |
bf620 | 3b 32 2d 31 2d 37 3b 00 02 31 00 10 00 00 00 34 3b 31 2d 31 2d 37 3b 31 2d 31 2d 31 35 3b 00 02 | ;2-1-7;..1.....4;1-1-7;1-1-15;.. |
bf640 | 32 00 10 00 00 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 2d 31 35 3b 00 00 00 02 73 6d 69 6c 65 73 00 | 2.....7;1-1-4;2-1-15;....smiles. |
bf660 | 06 00 00 00 43 6c 43 23 4e 00 09 75 70 64 61 74 65 64 5f 61 74 00 2f 8b 7d 46 50 01 00 00 09 63 | ....ClC#N..updated_at./.}FP....c |
bf680 | 72 65 61 74 65 64 5f 61 74 00 3d 82 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.=.}FP....default_finge |
bf6a0 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 15 00 00 00 49 6e 43 68 49 | rprint_size......inchi.....InChI |
bf6c0 | 3d 31 53 2f 43 43 6c 4e 2f 63 32 2d 31 2d 33 00 00 00 01 00 00 07 5f 69 64 00 56 16 24 39 2b 72 | =1S/CClN/c2-1-3......._id.V.$9+r |
bf6e0 | ed 30 fb 00 01 44 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .0...D.warnings.......fingerprin |
bf700 | 74 73 00 55 00 00 00 04 4d 50 32 44 00 4a 00 00 00 02 30 00 10 00 00 00 31 34 3b 31 2d 31 2d 34 | ts.U....MP2D.J....0.....14;1-1-4 |
bf720 | 3b 32 2d 31 2d 37 3b 00 02 31 00 10 00 00 00 34 3b 31 2d 31 2d 37 3b 31 2d 31 2d 31 34 3b 00 02 | ;2-1-7;..1.....4;1-1-7;1-1-14;.. |
bf740 | 32 00 10 00 00 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 2d 31 34 3b 00 00 00 02 73 6d 69 6c 65 73 00 | 2.....7;1-1-4;2-1-14;....smiles. |
bf760 | 06 00 00 00 42 72 43 23 4e 00 09 75 70 64 61 74 65 64 5f 61 74 00 31 8b 7d 46 50 01 00 00 09 63 | ....BrC#N..updated_at.1.}FP....c |
bf780 | 72 65 61 74 65 64 5f 61 74 00 43 82 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.C.}FP....default_finge |
bf7a0 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 15 00 00 00 49 6e 43 68 49 | rprint_size......inchi.....InChI |
bf7c0 | 3d 31 53 2f 43 42 72 4e 2f 63 32 2d 31 2d 33 00 00 b7 02 00 00 07 5f 69 64 00 56 16 24 39 2b 72 | =1S/CBrN/c2-1-3......._id.V.$9+r |
bf7e0 | ed 30 fb 00 01 45 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .0...E.warnings.......fingerprin |
bf800 | 74 73 00 cc 01 00 00 04 4d 50 32 44 00 c1 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b | ts......MP2D......0.....1;1-1-8; |
bf820 | 32 2d 31 2d 32 3b 00 02 31 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d | 2-1-2;..1.....8;1-1-1;1-1-2;2-1- |
bf840 | 33 3b 32 2d 31 2d 39 3b 00 02 32 00 21 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d | 3;2-1-9;..2.!...2;1-1-3;1-1-8;1- |
bf860 | 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b | 1-9;2-1-1;2-2-3;..3.....9;1-1-2; |
bf880 | 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d | 2-1-3;2-1-8;..4.!...3;1-1-2;1-2- |
bf8a0 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 00 15 00 00 00 33 3b 31 2d | 3;2-2-3;2-1-8;2-1-9;..5.....3;1- |
bf8c0 | 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | 2-3;2-1-2;2-2-3;..6.....3;1-2-3; |
bf8e0 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d | 2-1-2;2-2-3;..7.!...3;1-1-2;1-2- |
bf900 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 38 00 15 00 00 00 33 3b 31 2d | 3;2-2-3;2-1-8;2-1-9;..8.....3;1- |
bf920 | 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | 2-3;2-1-2;2-2-3;..9.....3;1-2-3; |
bf940 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 30 00 21 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 | 2-1-2;2-2-3;..10.!...2;1-1-3;1-1 |
bf960 | 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 15 00 00 00 39 3b | -8;1-1-9;2-1-1;2-2-3;..11.....9; |
bf980 | 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 32 00 1b 00 00 00 38 3b 31 2d 31 | 1-1-2;2-1-3;2-1-8;..12.....8;1-1 |
bf9a0 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 33 00 0f 00 00 00 31 3b | -1;1-1-2;2-1-3;2-1-9;..13.....1; |
bf9c0 | 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 43 4f 43 28 3d | 1-1-8;2-1-2;....smiles.....COC(= |
bf9e0 | 4f 29 63 31 63 63 63 28 63 63 31 29 43 28 3d 4f 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 | O)c1ccc(cc1)C(=O)OC..updated_at. |
bfa00 | 3e 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 61 82 7d 46 50 01 00 00 10 64 65 66 | >.}FP....created_at.a.}FP....def |
bfa20 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
bfa40 | 00 42 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 30 4f 34 2f 63 31 2d 31 33 2d 39 28 31 | .B...InChI=1S/C10H10O4/c1-13-9(1 |
bfa60 | 31 29 37 2d 33 2d 35 2d 38 28 36 2d 34 2d 37 29 31 30 28 31 32 29 31 34 2d 32 2f 68 33 2d 36 48 | 1)7-3-5-8(6-4-7)10(12)14-2/h3-6H |
bfa80 | 2c 31 2d 32 48 33 00 00 c1 04 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 46 04 77 61 | ,1-2H3......._id.V.$9+r.0...F.wa |
bfaa0 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 7f 03 00 00 04 4d | rnings.......fingerprints......M |
bfac0 | 50 32 44 00 74 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 | P2D.t....0.....1;1-1-8;2-1-3;..1 |
bfae0 | 00 16 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 32 00 1c 00 | .....8;1-1-1;1-1-3;2-2-11;..2... |
bfb00 | 00 00 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 | ..3;1-1-8;1-2-11;2-1-1;2-2-3;..3 |
bfb20 | 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 32 | .....11;1-2-3;2-1-8;2-2-11;2-1-2 |
bfb40 | 38 3b 00 02 34 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b | 8;..4.....3;1-2-11;1-1-28;2-1-2; |
bfb60 | 32 2d 32 2d 33 3b 00 02 35 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 | 2-2-3;..5.....11;1-2-3;2-1-1;2-2 |
bfb80 | 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 31 | -11;2-1-28;..6.....3;1-1-1;1-2-1 |
bfba0 | 31 3b 32 2d 32 2d 33 3b 00 02 37 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 | 1;2-2-3;..7.....11;1-2-3;2-1-1;2 |
bfbc0 | 2d 31 2d 38 3b 32 2d 32 2d 31 31 3b 00 02 38 00 10 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d | -1-8;2-2-11;..8.....1;1-1-3;2-2- |
bfbe0 | 31 31 3b 00 02 39 00 24 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 39 3b | 11;..9.$...28;1-1-2;1-1-3;2-1-9; |
bfc00 | 32 2d 32 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 1d 00 00 00 32 3b 31 2d 31 2d 39 3b 31 | 2-2-11;2-1-28;..10.....2;1-1-9;1 |
bfc20 | 2d 32 2d 32 38 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 31 00 10 00 00 00 39 3b 31 2d | -2-28;2-1-3;2-1-30;..11.....9;1- |
bfc40 | 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 31 32 00 24 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 | 1-2;2-2-28;..12.$...28;1-1-2;1-1 |
bfc60 | 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 33 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 23 00 00 00 | -30;2-1-3;2-3-9;2-1-28;..13.#... |
bfc80 | 33 30 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d | 30;1-1-3;1-2-9;1-1-28;2-1-2;2-2- |
bfca0 | 33 3b 00 02 31 34 00 1d 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b | 3;..14.....9;1-1-30;2-1-3;2-1-9; |
bfcc0 | 32 2d 31 2d 32 38 3b 00 02 31 35 00 1d 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 | 2-1-28;..15.....9;1-1-30;2-1-3;2 |
bfce0 | 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 36 00 29 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | -1-9;2-1-28;..16.)...3;1-2-3;1-1 |
bfd00 | 2d 33 30 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 | -30;2-1-2;2-2-3;2-2-9;2-1-28;..1 |
bfd20 | 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 38 00 | 7.....3;1-2-3;2-2-3;2-1-30;..18. |
bfd40 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 39 00 0f 00 00 00 33 3b 31 2d 32 | ....3;1-2-3;2-2-3;..19.....3;1-2 |
bfd60 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b | -3;2-2-3;..20.....3;1-2-3;2-1-2; |
bfd80 | 32 2d 32 2d 33 3b 00 02 32 31 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 | 2-2-3;..21.(...3;1-1-2;1-2-3;2-2 |
bfda0 | 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 33 30 3b 00 02 32 32 00 21 00 00 00 32 | -3;2-1-8;2-1-9;2-1-30;..22.!...2 |
bfdc0 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | ;1-1-3;1-1-8;1-1-9;2-1-1;2-2-3;. |
bfde0 | 02 32 33 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 34 | .23.....9;1-1-2;2-1-3;2-1-8;..24 |
bfe00 | 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 | .....8;1-1-1;1-1-2;2-1-3;2-1-9;. |
bfe20 | 02 32 35 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 | .25.....1;1-1-8;2-1-2;....smiles |
bfe40 | 00 2f 00 00 00 43 4f 63 31 6e 63 28 6e 63 28 6e 31 29 43 29 4e 43 28 3d 4f 29 4e 53 28 3d 4f 29 | ./...COc1nc(nc(n1)C)NC(=O)NS(=O) |
bfe60 | 28 3d 4f 29 63 31 63 63 63 63 63 31 43 28 3d 4f 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 | (=O)c1ccccc1C(=O)OC..updated_at. |
bfe80 | 44 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 78 82 7d 46 50 01 00 00 10 64 65 66 | D.}FP....created_at.x.}FP....def |
bfea0 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
bfec0 | 00 83 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 35 4e 35 4f 36 53 2f 63 31 2d 38 2d 31 | .....InChI=1S/C14H15N5O6S/c1-8-1 |
bfee0 | 35 2d 31 32 28 31 38 2d 31 34 28 31 36 2d 38 29 32 35 2d 33 29 31 37 2d 31 33 28 32 31 29 31 39 | 5-12(18-14(16-8)25-3)17-13(21)19 |
bff00 | 2d 32 36 28 32 32 2c 32 33 29 31 30 2d 37 2d 35 2d 34 2d 36 2d 39 28 31 30 29 31 31 28 32 30 29 | -26(22,23)10-7-5-4-6-9(10)11(20) |
bff20 | 32 34 2d 32 2f 68 34 2d 37 48 2c 31 2d 33 48 33 2c 28 48 32 2c 31 35 2c 31 36 2c 31 37 2c 31 38 | 24-2/h4-7H,1-3H3,(H2,15,16,17,18 |
bff40 | 2c 31 39 2c 32 31 29 00 00 2c 05 00 00 07 5f 69 64 00 56 16 24 39 2b 72 ed 30 fb 00 01 47 04 77 | ,19,21)..,...._id.V.$9+r.0...G.w |
bff60 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 d7 03 00 00 04 | arnings.......fingerprints...... |
bff80 | 4d 50 32 44 00 cc 03 00 00 02 30 00 0f 00 00 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 2d 31 3b 00 02 | MP2D......0.....7;1-1-4;2-1-1;.. |
bffa0 | 31 00 1b 00 00 00 34 3b 31 2d 31 2d 31 3b 31 2d 31 2d 37 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b | 1.....4;1-1-1;1-1-7;2-1-3;2-1-8; |
bffc0 | 00 02 32 00 27 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 34 3b 31 2d 31 2d 38 3b 32 2d 31 2d | ..2.'...1;1-1-3;1-1-4;1-1-8;2-1- |
bffe0 | 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 37 3b 00 02 33 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d | 2;2-2-3;2-1-7;..3.!...3;1-1-1;1- |
c0000 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 34 3b 32 2d 31 2d 38 3b 00 02 34 00 15 00 00 00 33 3b | 2-3;2-2-3;2-1-4;2-1-8;..4.....3; |
c0020 | 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d | 1-2-3;2-1-1;2-2-3;..5.....3;1-2- |
c0040 | 33 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | 3;2-2-3;..6.....3;1-2-3;2-2-3;2- |
c0060 | 31 2d 38 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b | 1-8;..7.....3;1-2-3;1-1-8;2-3-3; |
c0080 | 00 02 38 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d | ..8.....3;1-2-3;2-1-1;2-2-3;2-1- |
c00a0 | 38 3b 00 02 39 00 0f 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 30 00 15 00 00 | 8;..9.....8;1-2-3;2-4-3;..10.... |
c00c0 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 31 31 00 15 00 00 00 33 3b | .3;1-2-3;1-1-8;2-3-3;..11.....3; |
c00e0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 | 1-2-3;2-2-3;2-1-8;..12.....3;1-2 |
c0100 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | -3;2-2-3;..13.....3;1-2-3;2-2-3; |
c0120 | 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 15 00 00 00 | ..14.....3;1-2-3;2-2-3;..15..... |
c0140 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 36 00 27 00 00 00 38 3b 31 | 3;1-2-3;2-2-3;2-1-8;..16.'...8;1 |
c0160 | 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 34 3b 32 2d 31 | -1-1;1-1-2;2-1-1;2-1-3;2-1-4;2-1 |
c0180 | 2d 39 3b 00 02 31 37 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b | -9;..17.....2;1-1-1;1-1-8;1-1-9; |
c01a0 | 32 2d 33 2d 31 3b 00 02 31 38 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 | 2-3-1;..18.....9;1-1-2;2-1-1;2-1 |
c01c0 | 2d 38 3b 00 02 31 39 00 27 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b | -8;..19.'...1;1-2-1;1-1-2;2-4-1; |
c01e0 | 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 30 00 1b 00 00 00 31 3b 31 2d 32 | 2-1-2;2-1-8;2-1-9;..20.....1;1-2 |
c0200 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 2d 32 2d 32 3b 00 02 32 31 00 15 00 00 00 31 3b | -1;1-1-2;2-4-1;2-2-2;..21.....1; |
c0220 | 31 2d 34 2d 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 32 32 00 0f 00 00 00 31 3b 31 2d 31 | 1-4-1;2-2-1;2-2-2;..22.....1;1-1 |
c0240 | 2d 31 3b 32 2d 33 2d 31 3b 00 02 32 33 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b | -1;2-3-1;..23.....1;1-1-1;2-3-1; |
c0260 | 00 02 32 34 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 | ..24.....2;1-1-1;1-1-2;2-3-1;2-1 |
c0280 | 2d 31 35 3b 00 02 32 35 00 23 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 | -15;..25.#...2;1-1-1;1-1-2;1-1-1 |
c02a0 | 35 3b 32 2d 31 2d 31 3b 32 2d 33 2d 31 36 3b 00 02 32 36 00 1d 00 00 00 31 3b 31 2d 31 2d 32 3b | 5;2-1-1;2-3-16;..26.....1;1-1-2; |
c02c0 | 31 2d 33 2d 31 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 32 37 00 17 00 00 00 31 36 3b | 1-3-16;2-1-2;2-1-15;..27.....16; |
c02e0 | 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 31 36 3b 00 02 32 38 00 17 00 00 00 31 36 3b 31 | 1-1-1;2-1-2;2-2-16;..28.....16;1 |
c0300 | 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 31 36 3b 00 02 32 39 00 17 00 00 00 31 36 3b 31 2d | -1-1;2-1-2;2-2-16;..29.....16;1- |
c0320 | 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 31 36 3b 00 02 33 30 00 16 00 00 00 31 35 3b 31 2d 31 | 1-1;2-1-2;2-2-16;..30.....15;1-1 |
c0340 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 3a 00 00 00 4e 23 | -2;2-1-1;2-1-2;....smiles.:...N# |
c0360 | 43 43 28 63 31 63 63 63 63 28 63 31 29 4f 63 31 63 63 63 63 63 31 29 4f 43 28 3d 4f 29 43 31 43 | CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C |
c0380 | 28 43 31 28 43 29 43 29 43 3d 43 28 43 28 46 29 28 46 29 46 29 43 6c 00 09 75 70 64 61 74 65 64 | (C1(C)C)C=C(C(F)(F)F)Cl..updated |
c03a0 | 5f 61 74 00 47 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 83 82 7d 46 50 01 00 00 | _at.G.}FP....created_at...}FP... |
c03c0 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 | .default_fingerprint_size......i |
c03e0 | 6e 63 68 69 00 8b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 33 48 31 39 43 6c 46 33 4e 4f 33 2f | nchi.....InChI=1S/C23H19ClF3NO3/ |
c0400 | 63 31 2d 32 32 28 32 29 31 37 28 31 32 2d 31 39 28 32 34 29 32 33 28 32 35 2c 32 36 29 32 37 29 | c1-22(2)17(12-19(24)23(25,26)27) |
c0420 | 32 30 28 32 32 29 32 31 28 32 39 29 33 31 2d 31 38 28 31 33 2d 32 38 29 31 34 2d 37 2d 36 2d 31 | 20(22)21(29)31-18(13-28)14-7-6-1 |
c0440 | 30 2d 31 36 28 31 31 2d 31 34 29 33 30 2d 31 35 2d 38 2d 34 2d 33 2d 35 2d 39 2d 31 35 2f 68 33 | 0-16(11-14)30-15-8-4-3-5-9-15/h3 |
c0460 | 2d 31 32 2c 31 37 2d 31 38 2c 32 30 48 2c 31 2d 32 48 33 00 00 f7 02 00 00 07 5f 69 64 00 56 16 | -12,17-18,20H,1-2H3......._id.V. |
c0480 | 24 3a 2b 72 ed 30 fb 00 01 48 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | $:+r.0...H.warnings.......finger |
c04a0 | 70 72 69 6e 74 73 00 f3 01 00 00 04 4d 50 32 44 00 e8 01 00 00 02 30 00 15 00 00 00 31 3b 31 2d | prints......MP2D......0.....1;1- |
c04c0 | 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b | 1-1;2-1-1;2-2-3;..1.....1;1-2-1; |
c04e0 | 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 32 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d | 1-2-3;2-4-3;..2.....3;1-1-1;1-2- |
c0500 | 33 3b 32 2d 32 2d 31 3b 32 2d 33 2d 33 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 3;2-2-1;2-3-3;..3.....3;1-2-3;2- |
c0520 | 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | 1-1;2-2-3;..4.....3;1-2-3;2-2-3; |
c0540 | 32 2d 31 2d 38 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d | 2-1-8;..5.....3;1-2-3;1-1-8;2-2- |
c0560 | 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 | 3;..6.....3;1-2-3;2-2-3;2-1-8;.. |
c0580 | 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 | 7.....3;1-2-3;2-1-1;2-2-3;..8... |
c05a0 | 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b | ..8;1-1-3;2-2-3;..9.....3;1-1-1; |
c05c0 | 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 33 2d 33 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 | 1-2-3;2-2-1;2-3-3;..10.....3;1-2 |
c05e0 | 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-1-1;2-2-3;..11.....3;1-2-3; |
c0600 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | 2-2-3;2-1-8;..12.....3;1-2-3;1-1 |
c0620 | 2d 38 3b 32 2d 32 2d 33 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | -8;2-2-3;..13.....3;1-2-3;2-2-3; |
c0640 | 32 2d 31 2d 38 3b 00 02 31 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 | 2-1-8;..14.....3;1-2-3;2-1-1;2-2 |
c0660 | 2d 33 3b 00 02 31 35 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 15 | -3;..15.....8;1-1-3;2-2-3;..16.. |
c0680 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 | ...1;1-1-1;2-1-1;2-2-3;....smile |
c06a0 | 73 00 1e 00 00 00 43 43 28 63 31 63 63 63 28 63 63 31 29 4f 29 28 63 31 63 63 63 28 63 63 31 29 | s.....CC(c1ccc(cc1)O)(c1ccc(cc1) |
c06c0 | 4f 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 49 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 | O)C..updated_at.I.}FP....created |
c06e0 | 5f 61 74 00 95 82 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...}FP....default_fingerprint |
c0700 | 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 56 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 | _size......inchi.V...InChI=1S/C1 |
c0720 | 35 48 31 36 4f 32 2f 63 31 2d 31 35 28 32 2c 31 31 2d 33 2d 37 2d 31 33 28 31 36 29 38 2d 34 2d | 5H16O2/c1-15(2,11-3-7-13(16)8-4- |
c0740 | 31 31 29 31 32 2d 35 2d 39 2d 31 34 28 31 37 29 31 30 2d 36 2d 31 32 2f 68 33 2d 31 30 2c 31 36 | 11)12-5-9-14(17)10-6-12/h3-10,16 |
c0760 | 2d 31 37 48 2c 31 2d 32 48 33 00 00 dd 01 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 | -17H,1-2H3......._id.V.$:+r.0... |
c0780 | 49 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 0e 01 | I.warnings.......fingerprints... |
c07a0 | 00 00 04 4d 50 32 44 00 03 01 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 | ...MP2D......0.....9;1-1-2;2-1-1 |
c07c0 | 3b 32 2d 31 2d 32 38 3b 00 02 31 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d | ;2-1-28;..1.....2;1-1-1;1-1-9;1- |
c07e0 | 31 2d 32 38 3b 32 2d 32 2d 31 3b 00 02 32 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | 1-28;2-2-1;..2."...1;1-1-1;1-1-2 |
c0800 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 33 00 15 00 00 00 31 3b 31 2d | ;2-1-1;2-1-9;2-1-28;..3.....1;1- |
c0820 | 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b | 2-1;2-1-1;2-1-2;..4.....1;1-2-1; |
c0840 | 32 2d 32 2d 31 3b 00 02 35 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d | 2-2-1;..5.....1;1-2-1;2-1-1;2-1- |
c0860 | 32 38 3b 00 02 36 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b | 28;..6.....1;1-1-1;1-1-28;2-1-1; |
c0880 | 32 2d 31 2d 32 3b 00 02 37 00 1c 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 | 2-1-2;..7.....28;1-1-1;1-1-2;2-2 |
c08a0 | 2d 31 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 0c 00 00 00 4f 3d 43 31 43 43 43 43 | -1;2-1-9;....smiles.....O=C1CCCC |
c08c0 | 43 4e 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 4b 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 | CN1..updated_at.K.}FP....created |
c08e0 | 5f 61 74 00 9f 82 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...}FP....default_fingerprint |
c0900 | 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 33 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 | _size......inchi.3...InChI=1S/C6 |
c0920 | 48 31 31 4e 4f 2f 63 38 2d 36 2d 34 2d 32 2d 31 2d 33 2d 35 2d 37 2d 36 2f 68 31 2d 35 48 32 2c | H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2, |
c0940 | 28 48 2c 37 2c 38 29 00 00 54 01 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 4a 04 77 | (H,7,8)..T...._id.V.$:+r.0...J.w |
c0960 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 9d 00 00 00 04 | arnings.......fingerprints...... |
c0980 | 4d 50 32 44 00 92 00 00 00 02 30 00 11 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 35 3b | MP2D......0.....16;1-1-1;2-3-15; |
c09a0 | 00 02 31 00 11 00 00 00 31 3b 31 2d 33 2d 31 35 3b 31 2d 31 2d 31 36 3b 00 02 32 00 18 00 00 00 | ..1.....1;1-3-15;1-1-16;..2..... |
c09c0 | 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b 32 2d 31 2d 31 36 3b 00 02 33 00 18 00 00 00 31 | 15;1-1-1;2-2-15;2-1-16;..3.....1 |
c09e0 | 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b 32 2d 31 2d 31 36 3b 00 02 34 00 18 00 00 00 31 35 | 5;1-1-1;2-2-15;2-1-16;..4.....15 |
c0a00 | 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b 32 2d 31 2d 31 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 | ;1-1-1;2-2-15;2-1-16;....smiles. |
c0a20 | 0d 00 00 00 46 43 28 43 6c 29 28 43 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 4f 8b 7d | ....FC(Cl)(Cl)Cl..updated_at.O.} |
c0a40 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 b7 82 7d 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at...}FP....defaul |
c0a60 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 1a 00 | t_fingerprint_size......inchi... |
c0a80 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 43 6c 33 46 2f 63 32 2d 31 28 33 2c 34 29 35 00 00 13 05 00 | ..InChI=1S/CCl3F/c2-1(3,4)5..... |
c0aa0 | 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 4b 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V.$:+r.0...K.warnings..... |
c0ac0 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c9 03 00 00 04 4d 50 32 44 00 be 03 00 00 02 30 00 | ..fingerprints......MP2D......0. |
c0ae0 | 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d | ....1;1-1-1;2-1-8;..1.....1;1-1- |
c0b00 | 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 32 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d | 1;1-1-8;2-1-2;..2.!...8;1-1-1;1- |
c0b20 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 21 00 00 00 32 3b | 1-2;2-1-1;2-1-3;2-1-9;..3.!...2; |
c0b40 | 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 | 1-1-3;1-1-8;1-1-9;2-1-1;2-2-3;.. |
c0b60 | 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 00 28 00 | 4.....9;1-1-2;2-1-3;2-1-8;..5.(. |
c0b80 | 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d | ..3;1-1-2;1-2-3;2-2-3;2-1-8;2-1- |
c0ba0 | 39 3b 32 2d 31 2d 33 30 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 | 9;2-1-30;..6.....3;1-2-3;2-1-2;2 |
c0bc0 | 2d 32 2d 33 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 0f | -2-3;..7.....3;1-2-3;2-2-3;..8.. |
c0be0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 | ...3;1-2-3;2-2-3;..9.....3;1-2-3 |
c0c00 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 30 00 29 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | ;2-2-3;2-1-30;..10.)...3;1-2-3;1 |
c0c20 | 2d 31 2d 33 30 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 32 38 3b 00 | -1-30;2-1-2;2-2-3;2-2-9;2-1-28;. |
c0c40 | 02 31 31 00 23 00 00 00 33 30 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d | .11.#...30;1-1-3;1-2-9;1-1-28;2- |
c0c60 | 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 32 00 1d 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d | 1-2;2-2-3;..12.....9;1-1-30;2-1- |
c0c80 | 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 1d 00 00 00 39 3b 31 2d 31 2d 33 30 | 3;2-1-9;2-1-28;..13.....9;1-1-30 |
c0ca0 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 34 00 24 00 00 00 32 38 3b | ;2-1-3;2-1-9;2-1-28;..14.$...28; |
c0cc0 | 31 2d 31 2d 32 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 33 2d 39 3b 32 2d 31 2d 32 38 3b | 1-1-2;1-1-30;2-1-3;2-3-9;2-1-28; |
c0ce0 | 00 02 31 35 00 1d 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 32 2d 32 38 3b 32 2d 31 2d 33 3b 32 2d | ..15.....2;1-1-9;1-2-28;2-1-3;2- |
c0d00 | 31 2d 33 30 3b 00 02 31 36 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 31 | 1-30;..16.....9;1-1-2;2-2-28;..1 |
c0d20 | 37 00 24 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 | 7.$...28;1-1-2;1-1-3;2-1-9;2-2-1 |
c0d40 | 31 3b 32 2d 31 2d 32 38 3b 00 02 31 38 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 32 | 1;2-1-28;..18.....3;1-2-11;1-1-2 |
c0d60 | 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 39 00 25 00 00 00 31 31 3b 31 2d 32 2d 33 3b | 8;2-1-2;2-2-3;..19.%...11;1-2-3; |
c0d80 | 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 02 32 30 00 | 2-1-3;2-1-11;2-1-15;2-1-28;..20. |
c0da0 | 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b | ....3;1-1-3;1-1-11;1-1-15;2-2-3; |
c0dc0 | 00 02 32 31 00 17 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 | ..21.....15;1-1-3;2-1-3;2-1-11;. |
c0de0 | 02 32 32 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 31 3b 32 2d 31 | .22.....3;1-2-3;2-1-8;2-2-11;2-1 |
c0e00 | 2d 31 35 3b 00 02 32 33 00 22 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 | -15;..23."...3;1-1-3;1-1-8;1-1-1 |
c0e20 | 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 34 00 24 00 00 00 31 31 3b 31 2d 32 2d 33 3b | 1;2-1-1;2-2-3;..24.$...11;1-2-3; |
c0e40 | 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 32 35 00 1c | 2-1-3;2-1-8;2-1-11;2-1-28;..25.. |
c0e60 | 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 | ...8;1-1-1;1-1-3;2-1-3;2-1-11;.. |
c0e80 | 32 36 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 | 26.....1;1-1-8;2-1-3;....smiles. |
c0ea0 | 31 00 00 00 43 43 4f 43 28 3d 4f 29 63 31 63 63 63 63 63 31 53 28 3d 4f 29 28 3d 4f 29 4e 43 28 | 1...CCOC(=O)c1ccccc1S(=O)(=O)NC( |
c0ec0 | 3d 4f 29 4e 63 31 6e 63 28 43 6c 29 63 63 28 6e 31 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 | =O)Nc1nc(Cl)cc(n1)OC..updated_at |
c0ee0 | 00 56 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c6 82 7d 46 50 01 00 00 10 64 65 | .V.}FP....created_at...}FP....de |
c0f00 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 | fault_fingerprint_size......inch |
c0f20 | 69 00 89 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 31 35 43 6c 4e 34 4f 36 53 2f 63 31 2d | i.....InChI=1S/C15H15ClN4O6S/c1- |
c0f40 | 33 2d 32 36 2d 31 33 28 32 31 29 39 2d 36 2d 34 2d 35 2d 37 2d 31 30 28 39 29 32 37 28 32 33 2c | 3-26-13(21)9-6-4-5-7-10(9)27(23, |
c0f60 | 32 34 29 32 30 2d 31 35 28 32 32 29 31 39 2d 31 34 2d 31 37 2d 31 31 28 31 36 29 38 2d 31 32 28 | 24)20-15(22)19-14-17-11(16)8-12( |
c0f80 | 31 38 2d 31 34 29 32 35 2d 32 2f 68 34 2d 38 48 2c 33 48 32 2c 31 2d 32 48 33 2c 28 48 32 2c 31 | 18-14)25-2/h4-8H,3H2,1-2H3,(H2,1 |
c0fa0 | 37 2c 31 38 2c 31 39 2c 32 30 2c 32 32 29 00 00 6f 04 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed | 7,18,19,20,22)..o...._id.V.$:+r. |
c0fc0 | 30 fb 00 01 4c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | 0...L.warnings.......fingerprint |
c0fe0 | 73 00 47 03 00 00 04 4d 50 32 44 00 3c 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 | s.G....MP2D.<....0.....1;1-1-8;2 |
c1000 | 2d 31 2d 32 3b 00 02 31 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 | -1-2;..1.....8;1-1-1;1-1-2;2-1-1 |
c1020 | 3b 32 2d 31 2d 39 3b 00 02 32 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 | ;2-1-9;..2.!...2;1-1-1;1-1-8;1-1 |
c1040 | 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 | -9;2-2-1;2-1-8;..3.....9;1-1-2;2 |
c1060 | 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 00 27 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | -1-1;2-1-8;..4.'...1;1-1-1;1-1-2 |
c1080 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 00 21 00 00 | ;1-1-8;2-1-3;2-1-8;2-1-9;..5.!.. |
c10a0 | 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 | .8;1-1-1;1-1-3;2-1-1;2-1-2;2-2-3 |
c10c0 | 3b 00 02 36 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 | ;..6.....3;1-2-3;1-1-8;2-1-1;2-2 |
c10e0 | 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 | -3;..7.....3;1-2-3;2-2-3;2-1-8;. |
c1100 | 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 15 | .8.....3;1-2-3;2-2-3;2-1-8;..9.. |
c1120 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 31 30 00 15 00 00 00 | ...3;1-2-3;1-1-8;2-3-3;..10..... |
c1140 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 31 00 15 00 00 00 33 3b 31 | 3;1-2-3;2-2-3;2-1-8;..11.....3;1 |
c1160 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 32 00 16 00 00 00 38 3b 31 2d 32 2d | -2-3;2-2-3;2-1-8;..12.....8;1-2- |
c1180 | 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 33 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b | 3;2-3-3;2-1-11;..13.#...3;1-1-3; |
c11a0 | 31 2d 31 2d 38 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 34 00 16 | 1-1-8;1-1-11;2-3-3;2-1-15;..14.. |
c11c0 | 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 35 00 1c 00 00 | ...11;1-2-3;2-2-3;2-1-8;..15.... |
c11e0 | 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 36 | .3;1-1-3;1-1-11;2-1-1;2-2-3;..16 |
c1200 | 00 23 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b | .#...3;1-1-1;1-2-3;2-1-3;2-1-11; |
c1220 | 32 2d 33 2d 31 36 3b 00 02 31 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | 2-3-16;..17.....3;1-2-3;2-1-1;2- |
c1240 | 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 38 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 2-3;2-1-15;..18.#...3;1-2-3;1-1- |
c1260 | 31 35 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 31 39 00 10 00 00 00 31 | 15;2-1-3;2-1-8;2-1-11;..19.....1 |
c1280 | 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 30 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 | 5;1-1-3;2-2-3;..20.....1;1-1-3;1 |
c12a0 | 2d 33 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 32 31 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d | -3-16;2-2-3;..21.....16;1-1-1;2- |
c12c0 | 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 32 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 | 1-3;2-2-16;..22.....16;1-1-1;2-1 |
c12e0 | 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 33 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d | -3;2-2-16;..23.....16;1-1-1;2-1- |
c1300 | 33 3b 32 2d 32 2d 31 36 3b 00 02 32 34 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b | 3;2-2-16;..24.....1;1-1-1;2-1-2; |
c1320 | 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 2c 00 00 00 43 4f 43 28 3d 4f 29 43 28 4f 63 | 2-1-8;....smiles.,...COC(=O)C(Oc |
c1340 | 31 63 63 63 28 63 63 31 29 4f 63 31 6e 63 63 28 63 63 31 43 6c 29 43 28 46 29 28 46 29 46 29 43 | 1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C |
c1360 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 5b 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.[.}FP....created_at |
c1380 | 00 d7 82 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | ...}FP....default_fingerprint_si |
c13a0 | 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 6c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 36 48 31 | ze......inchi.l...InChI=1S/C16H1 |
c13c0 | 33 43 6c 46 33 4e 4f 34 2f 63 31 2d 39 28 31 35 28 32 32 29 32 33 2d 32 29 32 34 2d 31 31 2d 33 | 3ClF3NO4/c1-9(15(22)23-2)24-11-3 |
c13e0 | 2d 35 2d 31 32 28 36 2d 34 2d 31 31 29 32 35 2d 31 34 2d 31 33 28 31 37 29 37 2d 31 30 28 38 2d | -5-12(6-4-11)25-14-13(17)7-10(8- |
c1400 | 32 31 2d 31 34 29 31 36 28 31 38 2c 31 39 29 32 30 2f 68 33 2d 39 48 2c 31 2d 32 48 33 00 00 da | 21-14)16(18,19)20/h3-9H,1-2H3... |
c1420 | 00 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 4d 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V.$:+r.0...M.warnings... |
c1440 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 30 00 00 00 04 4d 50 32 44 00 25 00 00 00 02 | ....fingerprints.0....MP2D.%.... |
c1460 | 30 00 09 00 00 00 34 3b 31 2d 31 2d 37 3b 00 02 31 00 09 00 00 00 37 3b 31 2d 31 2d 34 3b 00 00 | 0.....4;1-1-7;..1.....7;1-1-4;.. |
c1480 | 00 02 73 6d 69 6c 65 73 00 04 00 00 00 43 23 4e 00 09 75 70 64 61 74 65 64 5f 61 74 00 5d 8b 7d | ..smiles.....C#N..updated_at.].} |
c14a0 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 dd 82 7d 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at...}FP....defaul |
c14c0 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 16 00 | t_fingerprint_size......inchi... |
c14e0 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 48 4e 2f 63 31 2d 32 2f 68 31 48 00 00 53 05 00 00 07 5f 69 | ..InChI=1S/CHN/c1-2/h1H..S...._i |
c1500 | 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 4e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V.$:+r.0...N.warnings.......fi |
c1520 | 6e 67 65 72 70 72 69 6e 74 73 00 07 04 00 00 04 4d 50 32 44 00 fc 03 00 00 02 30 00 0f 00 00 00 | ngerprints......MP2D......0..... |
c1540 | 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | 1;1-1-1;2-1-8;..1.....1;1-1-1;1- |
c1560 | 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 32 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | 1-8;2-1-2;..2.....8;1-1-1;1-1-2; |
c1580 | 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 2-2-1;2-1-9;..3.!...2;1-1-1;1-1- |
c15a0 | 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 00 15 00 00 00 39 3b 31 2d | 8;1-1-9;2-2-1;2-1-8;..4.....9;1- |
c15c0 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 27 00 00 00 31 3b 31 2d 31 2d 31 3b | 1-2;2-1-1;2-1-8;..5.'...1;1-1-1; |
c15e0 | 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 | 1-1-2;1-1-8;2-1-2;2-1-8;2-1-9;.. |
c1600 | 36 00 27 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b | 6.'...8;1-1-1;1-1-2;2-1-1;2-1-2; |
c1620 | 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 37 00 21 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d | 2-1-3;2-1-9;..7.!...2;1-1-3;1-1- |
c1640 | 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 39 3b 31 2d | 8;1-1-9;2-1-1;2-2-3;..8.....9;1- |
c1660 | 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b | 1-2;2-1-3;2-1-8;..9.(...3;1-1-2; |
c1680 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 | 1-2-3;2-2-3;2-1-8;2-1-9;2-1-19;. |
c16a0 | 02 31 30 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d | .10.....3;1-2-3;2-1-2;2-2-3;2-1- |
c16c0 | 38 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 | 8;..11.....3;1-2-3;1-1-8;2-3-3;. |
c16e0 | 02 31 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 33 | .12.....3;1-2-3;2-2-3;2-1-8;..13 |
c1700 | 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 34 00 22 | .....3;1-2-3;2-2-3;2-1-19;..14." |
c1720 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d | ...3;1-2-3;1-1-19;2-1-2;2-2-3;2- |
c1740 | 32 2d 39 3b 00 02 31 35 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d | 2-9;..15.....19;1-1-3;1-2-9;2-2- |
c1760 | 33 3b 00 02 31 36 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b | 3;..16.....9;1-1-19;2-1-3;2-1-9; |
c1780 | 00 02 31 37 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 | ..17.....9;1-1-19;2-1-3;2-1-9;.. |
c17a0 | 31 38 00 0f 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 39 00 1c 00 00 00 33 3b | 18.....8;1-2-3;2-4-3;..19.....3; |
c17c0 | 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 32 30 00 1b 00 | 1-2-3;1-1-8;2-3-3;2-1-15;..20... |
c17e0 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 31 | ..3;1-2-3;2-1-1;2-2-3;2-1-8;..21 |
c1800 | 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b | .....3;1-1-1;1-2-3;2-2-3;2-3-16; |
c1820 | 00 02 32 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 | ..22.....3;1-2-3;2-1-1;2-2-3;..2 |
c1840 | 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 32 34 00 | 3.....3;1-2-3;2-2-3;2-1-15;..24. |
c1860 | 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 | ....3;1-2-3;1-1-15;2-2-3;2-1-8;. |
c1880 | 02 32 35 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 36 00 16 00 00 00 | .25.....15;1-1-3;2-2-3;..26..... |
c18a0 | 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 32 37 00 17 00 00 00 31 36 | 1;1-1-3;1-3-16;2-2-3;..27.....16 |
c18c0 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 38 00 17 00 00 00 31 36 3b | ;1-1-1;2-1-3;2-2-16;..28.....16; |
c18e0 | 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 39 00 17 00 00 00 31 36 3b 31 | 1-1-1;2-1-3;2-2-16;..29.....16;1 |
c1900 | 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 33 30 00 15 00 00 00 31 3b 31 2d 31 | -1-1;2-1-3;2-2-16;..30.....1;1-1 |
c1920 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 39 00 00 00 43 43 | -1;2-1-2;2-1-8;....smiles.9...CC |
c1940 | 4f 43 28 3d 4f 29 43 28 4f 43 28 3d 4f 29 63 31 63 63 28 63 63 63 31 4e 28 3d 4f 29 3d 4f 29 4f | OC(=O)C(OC(=O)c1cc(ccc1N(=O)=O)O |
c1960 | 63 31 63 63 28 63 63 63 31 43 6c 29 43 28 46 29 28 46 29 46 29 43 00 09 75 70 64 61 74 65 64 5f | c1cc(ccc1Cl)C(F)(F)F)C..updated_ |
c1980 | 61 74 00 5f 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e4 82 7d 46 50 01 00 00 10 | at._.}FP....created_at...}FP.... |
c19a0 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e | default_fingerprint_size......in |
c19c0 | 63 68 69 00 83 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 39 48 31 35 43 6c 46 33 4e 4f 37 2f 63 | chi.....InChI=1S/C19H15ClF3NO7/c |
c19e0 | 31 2d 33 2d 32 39 2d 31 37 28 32 35 29 31 30 28 32 29 33 30 2d 31 38 28 32 36 29 31 33 2d 39 2d | 1-3-29-17(25)10(2)30-18(26)13-9- |
c1a00 | 31 32 28 35 2d 37 2d 31 35 28 31 33 29 32 34 28 32 37 29 32 38 29 33 31 2d 31 36 2d 38 2d 31 31 | 12(5-7-15(13)24(27)28)31-16-8-11 |
c1a20 | 28 31 39 28 32 31 2c 32 32 29 32 33 29 34 2d 36 2d 31 34 28 31 36 29 32 30 2f 68 34 2d 31 30 48 | (19(21,22)23)4-6-14(16)20/h4-10H |
c1a40 | 2c 33 48 32 2c 31 2d 32 48 33 00 00 6e 02 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 | ,3H2,1-2H3..n...._id.V.$:+r.0... |
c1a60 | 4f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 78 01 | O.warnings.......fingerprints.x. |
c1a80 | 00 00 04 4d 50 32 44 00 6d 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 | ...MP2D.m....0.....1;1-1-5;2-2-1 |
c1aa0 | 3b 00 02 31 00 0f 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 00 15 00 00 00 31 | ;..1.....5;1-3-1;2-2-1;..2.....1 |
c1ac0 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 33 2d 31 3b 00 02 33 00 15 00 00 00 31 3b 31 2d 32 | ;1-1-1;1-1-5;2-3-1;..3.....1;1-2 |
c1ae0 | 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 34 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 | -1;2-2-1;2-1-5;..4.....1;1-3-1;2 |
c1b00 | 2d 34 2d 31 3b 00 02 35 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 | -4-1;..5.....1;1-2-1;2-2-1;2-1-5 |
c1b20 | 3b 00 02 36 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 33 2d 31 3b 00 02 37 | ;..6.....1;1-1-1;1-1-5;2-3-1;..7 |
c1b40 | 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 34 2d 31 3b 00 02 38 00 15 00 00 00 31 3b 31 2d 32 | .....1;1-3-1;2-4-1;..8.....1;1-2 |
c1b60 | 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 39 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | -1;2-2-1;2-1-5;..9.....1;1-1-1;1 |
c1b80 | 2d 31 2d 35 3b 32 2d 33 2d 31 3b 00 02 31 30 00 0f 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 32 2d | -1-5;2-3-1;..10.....5;1-3-1;2-2- |
c1ba0 | 31 3b 00 02 31 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 33 2d 31 3b 00 | 1;..11.....1;1-1-1;1-1-5;2-3-1;. |
c1bc0 | 02 31 32 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 33 | .12.....1;1-2-1;2-2-1;2-1-5;..13 |
c1be0 | 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 17 00 | .....1;1-1-5;2-2-1;....smiles... |
c1c00 | 00 00 43 4e 31 43 43 43 28 43 43 31 29 43 31 43 43 4e 28 43 43 31 29 43 00 09 75 70 64 61 74 65 | ..CN1CCC(CC1)C1CCN(CC1)C..update |
c1c20 | 64 5f 61 74 00 cb 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f2 82 7d 46 50 01 00 | d_at...}FP....created_at...}FP.. |
c1c40 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 | ..default_fingerprint_size...... |
c1c60 | 69 6e 63 68 69 00 4f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 32 34 4e 32 2f 63 31 2d 31 | inchi.O...InChI=1S/C12H24N2/c1-1 |
c1c80 | 33 2d 37 2d 33 2d 31 31 28 34 2d 38 2d 31 33 29 31 32 2d 35 2d 39 2d 31 34 28 32 29 31 30 2d 36 | 3-7-3-11(4-8-13)12-5-9-14(2)10-6 |
c1ca0 | 2d 31 32 2f 68 31 31 2d 31 32 48 2c 33 2d 31 30 48 32 2c 31 2d 32 48 33 00 00 0a 03 00 00 07 5f | -12/h11-12H,3-10H2,1-2H3......._ |
c1cc0 | 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 50 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V.$:+r.0...P.warnings.......f |
c1ce0 | 69 6e 67 65 72 70 72 69 6e 74 73 00 0a 02 00 00 04 4d 50 32 44 00 ff 01 00 00 02 30 00 17 00 00 | ingerprints......MP2D......0.... |
c1d00 | 00 33 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 00 1d 00 00 00 31 | .32;1-1-19;2-1-3;2-1-9;..1.....1 |
c1d20 | 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 32 00 17 | 9;1-1-3;1-1-9;1-1-32;2-2-3;..2.. |
c1d40 | 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 33 00 23 00 00 | ...9;1-1-19;2-1-3;2-1-32;..3.#.. |
c1d60 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d | .3;1-2-3;1-1-19;2-2-3;2-1-9;2-1- |
c1d80 | 33 32 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 39 3b | 32;..4.....3;1-2-3;2-2-3;2-2-19; |
c1da0 | 00 02 35 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 | ..5.#...3;1-2-3;1-1-19;2-2-3;2-1 |
c1dc0 | 2d 39 3b 32 2d 31 2d 33 32 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | -9;2-1-32;..6.....3;1-2-3;2-2-3; |
c1de0 | 32 2d 32 2d 31 39 3b 00 02 37 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d | 2-2-19;..7.#...3;1-2-3;1-1-19;2- |
c1e00 | 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 33 32 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-1-9;2-1-32;..8.....3;1-2-3 |
c1e20 | 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 39 3b 00 02 39 00 1d 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 | ;2-2-3;2-2-19;..9.....19;1-1-3;1 |
c1e40 | 2d 31 2d 39 3b 31 2d 31 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 31 30 00 17 00 00 00 39 3b 31 2d 31 | -1-9;1-1-32;2-2-3;..10.....9;1-1 |
c1e60 | 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 31 00 17 00 00 00 33 32 3b 31 2d 31 | -19;2-1-3;2-1-32;..11.....32;1-1 |
c1e80 | 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 32 00 1d 00 00 00 31 39 3b 31 2d 31 2d | -19;2-1-3;2-1-9;..12.....19;1-1- |
c1ea0 | 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 31 33 00 17 00 00 00 39 3b | 3;1-1-9;1-1-32;2-2-3;..13.....9; |
c1ec0 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 34 00 17 00 00 00 33 32 3b | 1-1-19;2-1-3;2-1-32;..14.....32; |
c1ee0 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 31 00 | 1-1-19;2-1-3;2-1-9;....smiles.1. |
c1f00 | 00 00 5b 4f 2d 5d 5b 4e 2b 5d 28 3d 4f 29 63 31 63 63 28 63 63 28 63 31 29 5b 4e 2b 5d 28 3d 4f | ..[O-][N+](=O)c1cc(cc(c1)[N+](=O |
c1f20 | 29 5b 4f 2d 5d 29 5b 4e 2b 5d 28 3d 4f 29 5b 4f 2d 5d 00 09 75 70 64 61 74 65 64 5f 61 74 00 69 | )[O-])[N+](=O)[O-]..updated_at.i |
c1f40 | 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f8 82 7d 46 50 01 00 00 10 64 65 66 61 | .}FP....created_at...}FP....defa |
c1f60 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 | ult_fingerprint_size......inchi. |
c1f80 | 3f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 33 4e 33 4f 36 2f 63 31 30 2d 37 28 31 31 29 34 | ?...InChI=1S/C6H3N3O6/c10-7(11)4 |
c1fa0 | 2d 31 2d 35 28 38 28 31 32 29 31 33 29 33 2d 36 28 32 2d 34 29 39 28 31 34 29 31 35 2f 68 31 2d | -1-5(8(12)13)3-6(2-4)9(14)15/h1- |
c1fc0 | 33 48 00 00 97 01 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 51 04 77 61 72 6e 69 6e | 3H......._id.V.$:+r.0...Q.warnin |
c1fe0 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 d4 00 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
c2000 | c9 00 00 00 02 30 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 02 31 00 15 00 00 | .....0.....9;1-1-2;2-2-1;..1.... |
c2020 | 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 00 02 32 00 1b 00 00 00 31 3b 31 | .2;1-2-1;1-1-9;2-2-1;..2.....1;1 |
c2040 | 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 15 00 00 00 31 | -1-1;1-1-2;2-2-1;2-1-9;..3.....1 |
c2060 | 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 00 0f 00 00 00 31 3b 31 2d 32 | ;1-2-1;2-1-1;2-1-2;..4.....1;1-2 |
c2080 | 2d 31 3b 32 2d 32 2d 31 3b 00 02 35 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 | -1;2-2-1;..5.....1;1-2-1;2-1-1;2 |
c20a0 | 2d 31 2d 32 3b 00 02 36 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 | -1-2;..6.....1;1-1-1;1-1-2;2-2-1 |
c20c0 | 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 0b 00 00 00 4f 3d 43 31 43 43 43 43 43 31 | ;2-1-9;....smiles.....O=C1CCCCC1 |
c20e0 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 6b 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.k.}FP....created_at |
c2100 | 00 00 83 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | ...}FP....default_fingerprint_si |
c2120 | 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 28 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 30 | ze......inchi.(...InChI=1S/C6H10 |
c2140 | 4f 2f 63 37 2d 36 2d 34 2d 32 2d 31 2d 33 2d 35 2d 36 2f 68 31 2d 35 48 32 00 00 73 02 00 00 07 | O/c7-6-4-2-1-3-5-6/h1-5H2..s.... |
c2160 | 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 52 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V.$:+r.0...R.warnings....... |
c2180 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 94 01 00 00 04 4d 50 32 44 00 89 01 00 00 02 30 00 16 00 | fingerprints......MP2D......0... |
c21a0 | 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 00 2a 00 00 00 33 | ..9;1-1-3;2-1-3;2-1-11;..1.*...3 |
c21c0 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 | ;1-1-3;1-1-9;1-1-11;2-1-3;2-1-11 |
c21e0 | 3b 32 2d 31 2d 31 33 3b 00 02 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d | ;2-1-13;..2.....3;1-2-3;2-1-3;2- |
c2200 | 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 | 1-9;2-1-11;..3.....3;1-2-3;2-1-3 |
c2220 | 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 34 00 2a 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d | ;2-1-9;2-1-11;..4.*...3;1-1-3;1- |
c2240 | 31 2d 39 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 | 1-9;1-1-11;2-1-3;2-1-11;2-1-13;. |
c2260 | 02 35 00 16 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 36 00 | .5.....9;1-1-3;2-1-3;2-1-11;..6. |
c2280 | 2b 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 33 3b 32 2d 32 2d 33 | +...11;1-1-3;1-1-11;1-1-13;2-2-3 |
c22a0 | 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 33 3b 00 02 37 00 18 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b | ;2-1-9;2-1-13;..7.....13;1-1-11; |
c22c0 | 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 2b 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d | 2-1-3;2-1-11;..8.+...11;1-1-3;1- |
c22e0 | 31 2d 31 31 3b 31 2d 31 2d 31 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 33 3b 00 | 1-11;1-1-13;2-2-3;2-1-9;2-1-13;. |
c2300 | 02 39 00 18 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 00 | .9.....13;1-1-11;2-1-3;2-1-11;.. |
c2320 | 00 02 73 6d 69 6c 65 73 00 15 00 00 00 4f 3d 63 31 63 63 63 28 3d 4f 29 5b 6e 48 5d 5b 6e 48 5d | ..smiles.....O=c1ccc(=O)[nH][nH] |
c2340 | 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 6f 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | 1..updated_at.o.}FP....created_a |
c2360 | 74 00 0b 83 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t...}FP....default_fingerprint_s |
c2380 | 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 3a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 34 | ize......inchi.:...InChI=1S/C4H4 |
c23a0 | 4e 32 4f 32 2f 63 37 2d 33 2d 31 2d 32 2d 34 28 38 29 36 2d 35 2d 33 2f 68 31 2d 32 48 2c 28 48 | N2O2/c7-3-1-2-4(8)6-5-3/h1-2H,(H |
c23c0 | 2c 35 2c 37 29 28 48 2c 36 2c 38 29 00 00 19 04 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb | ,5,7)(H,6,8)......._id.V.$:+r.0. |
c23e0 | 00 01 53 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 | ..S.warnings.......fingerprints. |
c2400 | f4 02 00 00 04 4d 50 32 44 00 e9 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 | .....MP2D......0.....1;1-1-1;2-1 |
c2420 | 2d 38 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 | -8;..1.....1;1-1-1;1-1-8;2-1-3;. |
c2440 | 02 32 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | .2.....8;1-1-1;1-1-3;2-1-1;2-2-3 |
c2460 | 3b 00 02 33 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 | ;..3."...3;1-2-3;1-1-8;2-1-1;2-2 |
c2480 | 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | -3;2-1-19;..4.....3;1-2-3;2-2-3; |
c24a0 | 32 2d 32 2d 38 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d | 2-2-8;..5.....3;1-2-3;1-1-8;2-3- |
c24c0 | 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 | 3;..6.....3;1-2-3;2-2-3;2-1-8;.. |
c24e0 | 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 38 00 22 | 7.....3;1-2-3;2-2-3;2-1-19;..8." |
c2500 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d | ...3;1-2-3;1-1-19;2-2-3;2-1-8;2- |
c2520 | 32 2d 39 3b 00 02 39 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 | 2-9;..9.....19;1-1-3;1-2-9;2-2-3 |
c2540 | 3b 00 02 31 30 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 | ;..10.....9;1-1-19;2-1-3;2-1-9;. |
c2560 | 02 31 31 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 | .11.....9;1-1-19;2-1-3;2-1-9;..1 |
c2580 | 32 00 0f 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 33 00 1c 00 00 00 33 3b 31 | 2.....8;1-2-3;2-4-3;..13.....3;1 |
c25a0 | 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 34 00 15 00 00 | -2-3;1-1-8;2-3-3;2-1-15;..14.... |
c25c0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 35 00 15 00 00 00 33 3b | .3;1-2-3;2-2-3;2-1-8;..15.....3; |
c25e0 | 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 36 00 1c 00 00 00 33 3b 31 2d 31 | 1-2-3;2-1-1;2-2-3;..16.....3;1-1 |
c2600 | 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 31 37 00 1c 00 00 00 33 | -1;1-2-3;2-2-3;2-3-16;..17.....3 |
c2620 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 38 00 1c | ;1-2-3;2-1-1;2-2-3;2-1-15;..18.. |
c2640 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 | ...3;1-2-3;1-1-15;2-2-3;2-1-8;.. |
c2660 | 31 39 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 30 00 16 00 00 00 31 | 19.....15;1-1-3;2-2-3;..20.....1 |
c2680 | 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 32 31 00 17 00 00 00 31 36 3b | ;1-1-3;1-3-16;2-2-3;..21.....16; |
c26a0 | 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 32 00 17 00 00 00 31 36 3b 31 | 1-1-1;2-1-3;2-2-16;..22.....16;1 |
c26c0 | 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 33 00 17 00 00 00 31 36 3b 31 2d | -1-1;2-1-3;2-2-16;..23.....16;1- |
c26e0 | 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 2a 00 00 00 | 1-1;2-1-3;2-2-16;....smiles.*... |
c2700 | 43 43 4f 63 31 63 63 28 63 63 63 31 4e 28 3d 4f 29 3d 4f 29 4f 63 31 63 63 63 28 63 63 31 43 6c | CCOc1cc(ccc1N(=O)=O)Oc1ccc(cc1Cl |
c2720 | 29 43 28 46 29 28 46 29 46 00 09 75 70 64 61 74 65 64 5f 61 74 00 76 8b 7d 46 50 01 00 00 09 63 | )C(F)(F)F..updated_at.v.}FP....c |
c2740 | 72 65 61 74 65 64 5f 61 74 00 1c 83 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at...}FP....default_finge |
c2760 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 6b 00 00 00 49 6e 43 68 49 | rprint_size......inchi.k...InChI |
c2780 | 3d 31 53 2f 43 31 35 48 31 31 43 6c 46 33 4e 4f 34 2f 63 31 2d 32 2d 32 33 2d 31 34 2d 38 2d 31 | =1S/C15H11ClF3NO4/c1-2-23-14-8-1 |
c27a0 | 30 28 34 2d 35 2d 31 32 28 31 34 29 32 30 28 32 31 29 32 32 29 32 34 2d 31 33 2d 36 2d 33 2d 39 | 0(4-5-12(14)20(21)22)24-13-6-3-9 |
c27c0 | 28 37 2d 31 31 28 31 33 29 31 36 29 31 35 28 31 37 2c 31 38 29 31 39 2f 68 33 2d 38 48 2c 32 48 | (7-11(13)16)15(17,18)19/h3-8H,2H |
c27e0 | 32 2c 31 48 33 00 00 b9 03 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 54 04 77 61 72 | 2,1H3......._id.V.$:+r.0...T.war |
c2800 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 9f 02 00 00 04 4d 50 | nings.......fingerprints......MP |
c2820 | 32 44 00 94 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 | 2D......0.....1;1-1-1;2-1-1;..1. |
c2840 | 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 00 02 32 00 0f 00 00 00 31 3b 31 2d 32 2d | ....1;1-2-1;2-1-1;..2.....1;1-2- |
c2860 | 31 3b 32 2d 32 2d 31 3b 00 02 33 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d | 1;2-2-1;..3.....1;1-2-1;2-2-1;2- |
c2880 | 31 2d 33 3b 32 2d 31 2d 34 3b 00 02 34 00 2e 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b | 1-3;2-1-4;..4.....1;1-2-1;1-1-3; |
c28a0 | 31 2d 31 2d 34 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 37 3b 32 2d 31 2d 31 31 3b 00 | 1-1-4;2-1-1;2-2-3;2-1-7;2-1-11;. |
c28c0 | 02 35 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 | .5.!...3;1-1-1;1-2-3;2-2-1;2-2-3 |
c28e0 | 3b 32 2d 31 2d 34 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 | ;2-1-4;..6.....3;1-2-3;2-1-1;2-2 |
c2900 | 2d 33 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b | -3;..7.....3;1-2-3;2-2-3;2-1-15; |
c2920 | 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 39 | ..8.....3;1-2-3;1-1-15;2-2-3;..9 |
c2940 | 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 30 00 15 | .....3;1-2-3;2-2-3;2-1-15;..10.. |
c2960 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 10 00 00 00 | ...3;1-2-3;2-1-1;2-2-3;..11..... |
c2980 | 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 29 00 00 00 31 3b 31 2d 31 2d 31 3b | 15;1-1-3;2-2-3;..12.)...1;1-1-1; |
c29a0 | 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 34 3b 32 2d 31 2d 31 31 3b | 1-1-11;2-1-1;2-2-3;2-1-4;2-1-11; |
c29c0 | 00 02 31 33 00 2a 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 | ..13.*...11;1-1-1;1-1-3;1-1-11;2 |
c29e0 | 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 34 00 1d 00 00 00 33 3b 31 2d 32 | -1-1;2-1-3;2-1-11;..14.....3;1-2 |
c2a00 | 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 35 00 11 00 00 00 | -11;2-1-1;2-1-3;2-1-11;..15..... |
c2a20 | 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 36 00 17 00 00 00 33 3b 31 2d 32 2d 31 | 11;1-2-3;2-2-11;..16.....3;1-2-1 |
c2a40 | 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 37 00 24 00 00 00 31 31 3b 31 2d 31 2d 33 | 1;2-1-3;2-1-11;..17.$...11;1-1-3 |
c2a60 | 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 38 00 | ;1-1-11;2-1-1;2-1-3;2-1-11;..18. |
c2a80 | 1b 00 00 00 34 3b 31 2d 31 2d 31 3b 31 2d 31 2d 37 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 | ....4;1-1-1;1-1-7;2-2-1;2-1-3;.. |
c2aa0 | 31 39 00 0f 00 00 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 | 19.....7;1-1-4;2-1-1;....smiles. |
c2ac0 | 21 00 00 00 43 43 43 43 43 28 63 31 63 63 63 28 63 63 31 29 43 6c 29 28 43 6e 31 63 6e 63 6e 31 | !...CCCCC(c1ccc(cc1)Cl)(Cn1cncn1 |
c2ae0 | 29 43 23 4e 00 09 75 70 64 61 74 65 64 5f 61 74 00 f5 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 | )C#N..updated_at...}FP....create |
c2b00 | 64 5f 61 74 00 22 83 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.".}FP....default_fingerprin |
c2b20 | 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 69 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.i...InChI=1S/C |
c2b40 | 31 35 48 31 37 43 6c 4e 34 2f 63 31 2d 32 2d 33 2d 38 2d 31 35 28 39 2d 31 37 2c 31 30 2d 32 30 | 15H17ClN4/c1-2-3-8-15(9-17,10-20 |
c2b60 | 2d 31 32 2d 31 38 2d 31 31 2d 31 39 2d 32 30 29 31 33 2d 34 2d 36 2d 31 34 28 31 36 29 37 2d 35 | -12-18-11-19-20)13-4-6-14(16)7-5 |
c2b80 | 2d 31 33 2f 68 34 2d 37 2c 31 31 2d 31 32 48 2c 32 2d 33 2c 38 2c 31 30 48 32 2c 31 48 33 00 00 | -13/h4-7,11-12H,2-3,8,10H2,1H3.. |
c2ba0 | 3d 03 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 55 04 77 61 72 6e 69 6e 67 73 00 05 | =...._id.V.$:+r.0...U.warnings.. |
c2bc0 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 33 02 00 00 04 4d 50 32 44 00 28 02 00 00 | .....fingerprints.3....MP2D.(... |
c2be0 | 02 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 | .0.....32;1-1-19;2-1-3;2-1-9;..1 |
c2c00 | 00 1d 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 33 32 3b 32 2d 32 2d 33 | .....19;1-1-3;1-1-9;1-1-32;2-2-3 |
c2c20 | 3b 00 02 32 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 | ;..2.....9;1-1-19;2-1-3;2-1-32;. |
c2c40 | 02 33 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d | .3.#...3;1-2-3;1-1-19;2-2-3;2-1- |
c2c60 | 39 3b 32 2d 31 2d 33 32 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 9;2-1-32;..4.....3;1-2-3;2-2-3;2 |
c2c80 | 2d 32 2d 31 39 3b 00 02 35 00 29 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 | -2-19;..5.)...3;1-2-3;1-1-19;2-1 |
c2ca0 | 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 33 32 3b 00 02 36 00 1d 00 00 00 31 39 | -1;2-2-3;2-1-9;2-1-32;..6.....19 |
c2cc0 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 37 00 17 00 | ;1-1-3;1-1-9;1-1-32;2-2-3;..7... |
c2ce0 | 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 38 00 17 00 00 00 | ..9;1-1-19;2-1-3;2-1-32;..8..... |
c2d00 | 33 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 39 00 1c 00 00 00 33 3b | 32;1-1-19;2-1-3;2-1-9;..9.....3; |
c2d20 | 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 39 3b 00 02 31 30 00 29 00 | 1-1-1;1-2-3;2-2-3;2-2-19;..10.). |
c2d40 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 | ..3;1-2-3;1-1-19;2-1-1;2-2-3;2-1 |
c2d60 | 2d 39 3b 32 2d 31 2d 33 32 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -9;2-1-32;..11.....3;1-2-3;2-2-3 |
c2d80 | 3b 32 2d 32 2d 31 39 3b 00 02 31 32 00 1d 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b | ;2-2-19;..12.....19;1-1-3;1-1-9; |
c2da0 | 31 2d 31 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 31 33 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 | 1-1-32;2-2-3;..13.....9;1-1-19;2 |
c2dc0 | 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 34 00 17 00 00 00 33 32 3b 31 2d 31 2d 31 39 3b 32 | -1-3;2-1-32;..14.....32;1-1-19;2 |
c2de0 | 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 35 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d | -1-3;2-1-9;..15.....1;1-1-3;2-2- |
c2e00 | 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 34 00 00 00 5b 4f 2d 5d 5b 4e 2b 5d 28 3d 4f 29 63 31 63 | 3;....smiles.4...[O-][N+](=O)c1c |
c2e20 | 63 28 5b 4e 2b 5d 28 3d 4f 29 5b 4f 2d 5d 29 63 28 63 28 63 31 29 5b 4e 2b 5d 28 3d 4f 29 5b 4f | c([N+](=O)[O-])c(c(c1)[N+](=O)[O |
c2e40 | 2d 5d 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 7b 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 | -])C..updated_at.{.}FP....create |
c2e60 | 64 5f 61 74 00 29 83 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.).}FP....default_fingerprin |
c2e80 | 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 46 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.F...InChI=1S/C |
c2ea0 | 37 48 35 4e 33 4f 36 2f 63 31 2d 34 2d 36 28 39 28 31 33 29 31 34 29 32 2d 35 28 38 28 31 31 29 | 7H5N3O6/c1-4-6(9(13)14)2-5(8(11) |
c2ec0 | 31 32 29 33 2d 37 28 34 29 31 30 28 31 35 29 31 36 2f 68 32 2d 33 48 2c 31 48 33 00 00 e1 03 00 | 12)3-7(4)10(15)16/h2-3H,1H3..... |
c2ee0 | 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 56 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V.$:+r.0...V.warnings..... |
c2f00 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c2 02 00 00 04 4d 50 32 44 00 b7 02 00 00 02 30 00 | ..fingerprints......MP2D......0. |
c2f20 | 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 | ....1;1-1-1;2-1-1;2-1-8;..1..... |
c2f40 | 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 32 00 1b 00 00 00 38 3b 31 2d | 1;1-2-1;1-1-8;2-1-2;..2.....8;1- |
c2f60 | 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 27 00 00 00 32 3b | 1-1;1-1-2;2-3-1;2-1-9;..3.'...2; |
c2f80 | 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d | 1-1-1;1-1-8;1-1-9;2-1-1;2-2-3;2- |
c2fa0 | 31 2d 38 3b 00 02 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b | 1-8;..4.....9;1-1-2;2-1-1;2-1-8; |
c2fc0 | 00 02 35 00 27 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 34 2d | ..5.'...1;1-1-2;1-2-3;1-1-8;2-4- |
c2fe0 | 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 36 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d | 3;2-1-8;2-1-9;..6.!...3;1-1-1;1- |
c3000 | 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 15 00 00 00 33 3b | 2-3;2-1-2;2-3-3;2-1-8;..7.....3; |
c3020 | 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d | 1-2-3;2-1-1;2-2-3;..8.....3;1-2- |
c3040 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 34 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 3;2-2-3;2-1-14;..9.....3;1-2-3;1 |
c3060 | 2d 31 2d 31 34 3b 32 2d 32 2d 33 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | -1-14;2-2-3;..10.....3;1-2-3;2-2 |
c3080 | 2d 33 3b 32 2d 31 2d 31 34 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 | -3;2-1-14;..11.....3;1-2-3;2-1-1 |
c30a0 | 3b 32 2d 32 2d 33 3b 00 02 31 32 00 10 00 00 00 31 34 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | ;2-2-3;..12.....14;1-1-3;2-2-3;. |
c30c0 | 02 31 33 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 33 2d | .13.!...3;1-1-1;1-2-3;2-1-2;2-3- |
c30e0 | 33 3b 32 2d 31 2d 38 3b 00 02 31 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 | 3;2-1-8;..14.....3;1-2-3;2-1-1;2 |
c3100 | 2d 32 2d 33 3b 00 02 31 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | -2-3;..15.....3;1-2-3;2-2-3;2-1- |
c3120 | 31 34 3b 00 02 31 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 34 3b 32 2d 32 2d 33 | 14;..16.....3;1-2-3;1-1-14;2-2-3 |
c3140 | 3b 00 02 31 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 34 3b 00 | ;..17.....3;1-2-3;2-2-3;2-1-14;. |
c3160 | 02 31 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 39 | .18.....3;1-2-3;2-1-1;2-2-3;..19 |
c3180 | 00 10 00 00 00 31 34 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 30 00 15 00 00 00 38 3b 31 | .....14;1-1-3;2-2-3;..20.....8;1 |
c31a0 | 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 31 00 15 00 00 00 31 3b 31 2d 31 2d | -1-1;2-1-2;2-2-3;..21.....1;1-1- |
c31c0 | 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 2a 00 00 00 43 43 28 | 1;2-1-1;2-1-8;....smiles.*...CC( |
c31e0 | 4f 43 28 3d 4f 29 43 28 63 31 63 63 63 28 63 63 31 29 42 72 29 28 63 31 63 63 63 28 63 63 31 29 | OC(=O)C(c1ccc(cc1)Br)(c1ccc(cc1) |
c3200 | 42 72 29 4f 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 7d 8b 7d 46 50 01 00 00 09 63 72 65 61 | Br)O)C..updated_at.}.}FP....crea |
c3220 | 74 65 64 5f 61 74 00 30 83 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at.0.}FP....default_fingerpr |
c3240 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 65 00 00 00 49 6e 43 68 49 3d 31 53 | int_size......inchi.e...InChI=1S |
c3260 | 2f 43 31 37 48 31 36 42 72 32 4f 33 2f 63 31 2d 31 31 28 32 29 32 32 2d 31 36 28 32 30 29 31 37 | /C17H16Br2O3/c1-11(2)22-16(20)17 |
c3280 | 28 32 31 2c 31 32 2d 33 2d 37 2d 31 34 28 31 38 29 38 2d 34 2d 31 32 29 31 33 2d 35 2d 39 2d 31 | (21,12-3-7-14(18)8-4-12)13-5-9-1 |
c32a0 | 35 28 31 39 29 31 30 2d 36 2d 31 33 2f 68 33 2d 31 31 2c 32 31 48 2c 31 2d 32 48 33 00 00 97 01 | 5(19)10-6-13/h3-11,21H,1-2H3.... |
c32c0 | 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 57 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V.$:+r.0...W.warnings.... |
c32e0 | 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c5 00 00 00 04 4d 50 32 44 00 ba 00 00 00 02 30 | ...fingerprints......MP2D......0 |
c3300 | 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 17 00 00 00 31 3b 31 2d | .....15;1-1-1;2-1-1;..1.....1;1- |
c3320 | 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 33 31 3b 00 02 32 00 1d 00 00 00 31 3b 31 2d 31 2d | 1-1;1-1-15;2-1-31;..2.....1;1-1- |
c3340 | 31 3b 31 2d 31 2d 33 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 33 00 10 00 00 00 33 31 | 1;1-1-31;2-3-1;2-1-15;..3.....31 |
c3360 | 3b 31 2d 34 2d 31 3b 32 2d 31 2d 31 3b 00 02 34 00 10 00 00 00 31 3b 31 2d 31 2d 33 31 3b 32 2d | ;1-4-1;2-1-1;..4.....1;1-1-31;2- |
c3380 | 33 2d 31 3b 00 02 35 00 10 00 00 00 31 3b 31 2d 31 2d 33 31 3b 32 2d 33 2d 31 3b 00 02 36 00 10 | 3-1;..5.....1;1-1-31;2-3-1;..6.. |
c33a0 | 00 00 00 31 3b 31 2d 31 2d 33 31 3b 32 2d 33 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 10 00 00 | ...1;1-1-31;2-3-1;....smiles.... |
c33c0 | 00 43 6c 43 43 5b 4e 2b 5d 28 43 29 28 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 7f 8b 7d | .ClCC[N+](C)(C)C..updated_at...} |
c33e0 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 36 83 7d 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at.6.}FP....defaul |
c3400 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 32 00 | t_fingerprint_size......inchi.2. |
c3420 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 31 33 43 6c 4e 2f 63 31 2d 37 28 32 2c 33 29 35 2d 34 | ..InChI=1S/C5H13ClN/c1-7(2,3)5-4 |
c3440 | 2d 36 2f 68 34 2d 35 48 32 2c 31 2d 33 48 33 2f 71 2b 31 00 00 3d 03 00 00 07 5f 69 64 00 56 16 | -6/h4-5H2,1-3H3/q+1..=...._id.V. |
c3460 | 24 3a 2b 72 ed 30 fb 00 01 58 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | $:+r.0...X.warnings.......finger |
c3480 | 70 72 69 6e 74 73 00 29 02 00 00 04 4d 50 32 44 00 1e 02 00 00 02 30 00 16 00 00 00 31 3b 31 2d | prints.)....MP2D......0.....1;1- |
c34a0 | 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 00 1c 00 00 00 33 3b 31 2d 31 2d 31 | 1-3;2-1-3;2-1-11;..1.....3;1-1-1 |
c34c0 | 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 32 00 24 00 00 00 31 31 3b 31 | ;1-1-3;1-1-11;2-2-3;..2.$...11;1 |
c34e0 | 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 | -2-3;2-1-1;2-1-3;2-1-11;2-1-19;. |
c3500 | 02 33 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 33 2d 33 3b 00 02 34 | .3.....3;1-2-11;1-1-19;2-3-3;..4 |
c3520 | 00 17 00 00 00 31 39 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 35 00 16 | .....19;1-2-3;2-2-3;2-2-11;..5.. |
c3540 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 33 2d 33 3b 00 02 36 00 16 00 00 00 | ...3;1-2-3;1-1-19;2-3-3;..6..... |
c3560 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 0f 00 00 00 33 3b 31 | 3;1-2-3;2-2-3;2-1-19;..7.....3;1 |
c3580 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -2-3;2-2-3;..8.....3;1-2-3;2-2-3 |
c35a0 | 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 16 00 00 00 | ;..9.....3;1-2-3;2-2-3;..10..... |
c35c0 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 24 00 00 00 31 31 | 3;1-2-3;2-2-3;2-1-19;..11.$...11 |
c35e0 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 | ;1-2-3;2-1-1;2-1-3;2-1-11;2-1-19 |
c3600 | 3b 00 02 31 32 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 | ;..12."...3;1-1-1;1-1-3;1-1-11;2 |
c3620 | 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -2-1;2-2-3;..13.....3;1-2-3;2-2- |
c3640 | 31 3b 32 2d 32 2d 31 31 3b 00 02 31 34 00 22 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b | 1;2-2-11;..14."...1;1-2-1;1-1-3; |
c3660 | 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 35 00 15 00 00 00 31 3b 31 2d | 2-2-1;2-1-3;2-1-11;..15.....1;1- |
c3680 | 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 36 00 15 00 00 00 31 3b 31 2d 32 2d 31 | 2-1;2-2-1;2-1-3;..16.....1;1-2-1 |
c36a0 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 1c 00 00 00 43 63 31 6e | ;2-2-1;2-1-3;....smiles.....Cc1n |
c36c0 | 63 28 4e 63 32 63 63 63 63 63 32 29 6e 63 28 63 31 29 43 31 43 43 31 00 09 75 70 64 61 74 65 64 | c(Nc2ccccc2)nc(c1)C1CC1..updated |
c36e0 | 5f 61 74 00 84 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 40 83 7d 46 50 01 00 00 | _at...}FP....created_at.@.}FP... |
c3700 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 | .default_fingerprint_size......i |
c3720 | 6e 63 68 69 00 68 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 35 4e 33 2f 63 31 2d 31 30 | nchi.h...InChI=1S/C14H15N3/c1-10 |
c3740 | 2d 39 2d 31 33 28 31 31 2d 37 2d 38 2d 31 31 29 31 37 2d 31 34 28 31 35 2d 31 30 29 31 36 2d 31 | -9-13(11-7-8-11)17-14(15-10)16-1 |
c3760 | 32 2d 35 2d 33 2d 32 2d 34 2d 36 2d 31 32 2f 68 32 2d 36 2c 39 2c 31 31 48 2c 37 2d 38 48 32 2c | 2-5-3-2-4-6-12/h2-6,9,11H,7-8H2, |
c3780 | 31 48 33 2c 28 48 2c 31 35 2c 31 36 2c 31 37 29 00 00 ed 04 00 00 07 5f 69 64 00 56 16 24 3a 2b | 1H3,(H,15,16,17)......._id.V.$:+ |
c37a0 | 72 ed 30 fb 00 01 59 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.0...Y.warnings.......fingerpri |
c37c0 | 6e 74 73 00 b4 03 00 00 04 4d 50 32 44 00 a9 03 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 32 | nts......MP2D......0.....9;1-1-2 |
c37e0 | 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 31 00 29 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d | ;2-1-8;2-1-28;..1.)...2;1-1-8;1- |
c3800 | 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 | 1-9;1-1-28;2-1-1;2-1-2;2-1-19;.. |
c3820 | 32 00 2e 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b | 2.....8;1-1-1;1-1-2;2-1-1;2-1-2; |
c3840 | 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 33 00 34 00 00 00 31 3b 31 2d 31 | 2-1-3;2-1-9;2-1-28;..3.4...1;1-1 |
c3860 | 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 | -1;1-1-2;1-1-3;1-1-8;2-1-2;2-2-3 |
c3880 | 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 34 00 35 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d | ;2-1-9;2-1-28;..4.5...2;1-1-1;1- |
c38a0 | 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 | 1-9;1-1-28;2-1-1;2-1-2;2-1-3;2-1 |
c38c0 | 2d 38 3b 32 2d 31 2d 31 39 3b 00 02 35 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b | -8;2-1-19;..5.....9;1-1-2;2-1-1; |
c38e0 | 32 2d 31 2d 32 38 3b 00 02 36 00 29 00 00 00 32 38 3b 31 2d 32 2d 32 3b 31 2d 31 2d 31 39 3b 32 | 2-1-28;..6.)...28;1-2-2;1-1-19;2 |
c3900 | 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 37 00 1d 00 00 00 31 | -1-1;2-1-3;2-1-8;2-2-9;..7.....1 |
c3920 | 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 00 02 38 00 1d | 9;1-1-3;1-1-28;2-2-2;2-2-3;..8.. |
c3940 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 | ...3;1-2-3;1-1-19;2-2-3;2-1-28;. |
c3960 | 02 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 30 | .9.....3;1-2-3;2-2-3;2-1-19;..10 |
c3980 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d | .....3;1-2-3;2-2-3;..11.....3;1- |
c39a0 | 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 2-3;2-2-3;..12.....3;1-2-3;2-2-3 |
c39c0 | 3b 00 02 31 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 | ;..13.....3;1-2-3;2-2-3;2-1-19;. |
c39e0 | 02 31 34 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d | .14.....1;1-1-1;2-1-2;2-1-3;2-1- |
c3a00 | 38 3b 00 02 31 35 00 27 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 | 8;..15.'...3;1-1-1;1-2-3;2-1-1;2 |
c3a20 | 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 36 00 15 00 00 00 33 3b 31 2d 32 2d | -1-2;2-2-3;2-1-8;..16.....3;1-2- |
c3a40 | 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;2-1-1;2-2-3;..17.....3;1-2-3;2 |
c3a60 | 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | -2-3;2-1-8;..18.....3;1-2-3;1-1- |
c3a80 | 38 3b 32 2d 33 2d 33 3b 00 02 31 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 8;2-3-3;..19.....3;1-2-3;2-2-3;2 |
c3aa0 | 2d 31 2d 38 3b 00 02 32 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d | -1-8;..20.....3;1-2-3;2-1-1;2-2- |
c3ac0 | 33 3b 00 02 32 31 00 0f 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 32 32 00 15 00 | 3;..21.....8;1-2-3;2-4-3;..22... |
c3ae0 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 32 33 00 15 00 00 00 33 | ..3;1-2-3;1-1-8;2-3-3;..23.....3 |
c3b00 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 34 00 0f 00 00 00 33 3b 31 2d | ;1-2-3;2-2-3;2-1-8;..24.....3;1- |
c3b20 | 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 2-3;2-2-3;..25.....3;1-2-3;2-2-3 |
c3b40 | 3b 00 02 32 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 37 00 15 00 00 | ;..26.....3;1-2-3;2-2-3;..27.... |
c3b60 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 | .3;1-2-3;2-2-3;2-1-8;....smiles. |
c3b80 | 2f 00 00 00 4f 3d 43 31 4f 43 28 43 28 3d 4f 29 4e 31 4e 63 31 63 63 63 63 63 31 29 28 43 29 63 | /...O=C1OC(C(=O)N1Nc1ccccc1)(C)c |
c3ba0 | 31 63 63 63 28 63 63 31 29 4f 63 31 63 63 63 63 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 89 | 1ccc(cc1)Oc1ccccc1..updated_at.. |
c3bc0 | 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 4b 83 7d 46 50 01 00 00 10 64 65 66 61 | .}FP....created_at.K.}FP....defa |
c3be0 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 | ult_fingerprint_size......inchi. |
c3c00 | 7a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 32 48 31 38 4e 32 4f 34 2f 63 31 2d 32 32 28 31 36 | z...InChI=1S/C22H18N2O4/c1-22(16 |
c3c20 | 2d 31 32 2d 31 34 2d 31 39 28 31 35 2d 31 33 2d 31 36 29 32 37 2d 31 38 2d 31 30 2d 36 2d 33 2d | -12-14-19(15-13-16)27-18-10-6-3- |
c3c40 | 37 2d 31 31 2d 31 38 29 32 30 28 32 35 29 32 34 28 32 31 28 32 36 29 32 38 2d 32 32 29 32 33 2d | 7-11-18)20(25)24(21(26)28-22)23- |
c3c60 | 31 37 2d 38 2d 34 2d 32 2d 35 2d 39 2d 31 37 2f 68 32 2d 31 35 2c 32 33 48 2c 31 48 33 00 00 86 | 17-8-4-2-5-9-17/h2-15,23H,1H3... |
c3c80 | 03 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 5a 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V.$:+r.0...Z.warnings... |
c3ca0 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 66 02 00 00 04 4d 50 32 44 00 5b 02 00 00 02 | ....fingerprints.f....MP2D.[.... |
c3cc0 | 30 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 00 22 | 0.....9;1-1-2;2-1-1;2-1-28;..1." |
c3ce0 | 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 32 2d | ...2;1-1-1;1-1-9;1-1-28;2-3-1;2- |
c3d00 | 31 2d 33 3b 00 02 32 00 22 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b | 1-3;..2."...1;1-3-1;1-1-2;2-2-1; |
c3d20 | 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 33 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 | 2-1-9;2-1-28;..3.....1;1-1-1;2-2 |
c3d40 | 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 | -1;2-1-2;..4.....1;1-2-1;2-3-1;2 |
c3d60 | 2d 31 2d 32 3b 00 02 35 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 36 00 0f | -1-2;..5.....1;1-2-1;2-2-1;..6.. |
c3d80 | 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 32 2d 31 | ...1;1-2-1;2-2-1;..7.....1;1-2-1 |
c3da0 | 3b 32 2d 32 2d 31 3b 00 02 38 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 | ;2-2-1;..8.....1;1-2-1;2-3-1;2-1 |
c3dc0 | 2d 32 3b 00 02 39 00 22 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b | -2;..9."...28;1-1-2;1-1-3;2-1-1; |
c3de0 | 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 30 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | 2-2-3;2-1-9;..10.#...3;1-2-3;1-1 |
c3e00 | 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 31 00 16 00 00 00 | -28;2-1-2;2-2-3;2-1-15;..11..... |
c3e20 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 15 00 00 00 33 3b | 3;1-2-3;2-2-3;2-1-28;..12.....3; |
c3e40 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 33 00 1c 00 00 00 33 3b 31 2d 32 | 1-2-3;2-2-3;2-1-8;..13.....3;1-2 |
c3e60 | 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 34 00 23 00 00 00 33 | -3;1-1-8;2-2-3;2-1-15;..14.#...3 |
c3e80 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 35 | ;1-2-3;1-1-15;2-2-3;2-1-8;2-1-15 |
c3ea0 | 3b 00 02 31 35 00 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 | ;..15.$...3;1-2-3;1-1-15;2-2-3;2 |
c3ec0 | 2d 31 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 02 31 36 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 | -1-15;2-1-28;..16.....15;1-1-3;2 |
c3ee0 | 2d 32 2d 33 3b 00 02 31 37 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | -2-3;..17.....15;1-1-3;2-2-3;..1 |
c3f00 | 38 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 23 | 8.....8;1-1-3;2-2-3;....smiles.# |
c3f20 | 00 00 00 4f 3d 43 28 43 31 28 43 29 43 43 43 43 43 31 29 4e 63 31 63 63 63 28 63 28 63 31 43 6c | ...O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl |
c3f40 | 29 43 6c 29 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 8b 8b 7d 46 50 01 00 00 09 63 72 65 61 74 | )Cl)O..updated_at...}FP....creat |
c3f60 | 65 64 5f 61 74 00 52 83 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at.R.}FP....default_fingerpri |
c3f80 | 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 6d 00 00 00 49 6e 43 68 49 3d 31 53 2f | nt_size......inchi.m...InChI=1S/ |
c3fa0 | 43 31 34 48 31 37 43 6c 32 4e 4f 32 2f 63 31 2d 31 34 28 37 2d 33 2d 32 2d 34 2d 38 2d 31 34 29 | C14H17Cl2NO2/c1-14(7-3-2-4-8-14) |
c3fc0 | 31 33 28 31 39 29 31 37 2d 39 2d 35 2d 36 2d 31 30 28 31 38 29 31 32 28 31 36 29 31 31 28 39 29 | 13(19)17-9-5-6-10(18)12(16)11(9) |
c3fe0 | 31 35 2f 68 35 2d 36 2c 31 38 48 2c 32 2d 34 2c 37 2d 38 48 32 2c 31 48 33 2c 28 48 2c 31 37 2c | 15/h5-6,18H,2-4,7-8H2,1H3,(H,17, |
c4000 | 31 39 29 00 00 83 03 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 5b 04 77 61 72 6e 69 | 19)......._id.V.$:+r.0...[.warni |
c4020 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 7a 02 00 00 04 4d 50 32 44 | ngs.......fingerprints.z....MP2D |
c4040 | 00 6f 02 00 00 02 30 00 0f 00 00 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 | .o....0.....7;1-1-4;2-1-3;..1... |
c4060 | 00 00 34 3b 31 2d 31 2d 33 3b 31 2d 31 2d 37 3b 32 2d 32 2d 33 3b 00 02 32 00 22 00 00 00 33 3b | ..4;1-1-3;1-1-7;2-2-3;..2."...3; |
c4080 | 31 2d 32 2d 33 3b 31 2d 31 2d 34 3b 32 2d 32 2d 33 3b 32 2d 31 2d 37 3b 32 2d 31 2d 31 31 3b 00 | 1-2-3;1-1-4;2-2-3;2-1-7;2-1-11;. |
c40a0 | 02 33 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d | .3.#...3;1-1-3;1-1-11;2-2-3;2-1- |
c40c0 | 34 3b 32 2d 31 2d 31 33 3b 00 02 34 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 | 4;2-1-13;..4.....11;1-2-3;1-1-13 |
c40e0 | 3b 32 2d 32 2d 33 3b 00 02 35 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 | ;2-2-3;..5.....13;1-1-11;2-2-3;. |
c4100 | 02 36 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d | .6.....3;1-1-3;1-1-11;2-3-3;2-1- |
c4120 | 31 33 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 34 3b 32 | 13;..7.....3;1-3-3;2-3-3;2-1-4;2 |
c4140 | 2d 31 2d 31 31 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d | -1-11;..8.....3;1-3-3;2-4-3;2-1- |
c4160 | 38 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 30 00 0f 00 00 | 8;..9.....3;1-2-3;2-3-3;..10.... |
c4180 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | .3;1-2-3;2-2-3;..11.....3;1-2-3; |
c41a0 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 32 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | 2-2-3;2-1-8;..12.!...3;1-2-3;1-1 |
c41c0 | 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 33 00 21 00 00 00 33 3b | -8;2-1-1;2-2-3;2-1-8;..13.!...3; |
c41e0 | 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 00 02 | 1-2-3;1-1-8;2-1-1;2-3-3;2-1-8;.. |
c4200 | 31 34 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 | 14."...8;1-1-1;1-1-3;2-2-3;2-1-8 |
c4220 | 3b 32 2d 32 2d 31 36 3b 00 02 31 35 00 16 00 00 00 31 3b 31 2d 32 2d 38 3b 31 2d 32 2d 31 36 3b | ;2-2-16;..15.....1;1-2-8;1-2-16; |
c4240 | 32 2d 32 2d 33 3b 00 02 31 36 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 | 2-2-3;..16."...8;1-1-1;1-1-3;2-2 |
c4260 | 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 36 3b 00 02 31 37 00 17 00 00 00 31 36 3b 31 2d 31 2d | -3;2-1-8;2-2-16;..17.....16;1-1- |
c4280 | 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 36 3b 00 02 31 38 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 | 1;2-2-8;2-1-16;..18.....16;1-1-1 |
c42a0 | 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 21 00 00 00 4e 23 43 | ;2-2-8;2-1-16;....smiles.!...N#C |
c42c0 | 63 31 63 5b 6e 48 5d 63 63 31 63 31 63 63 63 63 32 63 31 4f 43 28 4f 32 29 28 46 29 46 00 09 75 | c1c[nH]cc1c1cccc2c1OC(O2)(F)F..u |
c42e0 | 70 64 61 74 65 64 5f 61 74 00 8d 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 59 83 | pdated_at...}FP....created_at.Y. |
c4300 | 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | }FP....default_fingerprint_size. |
c4320 | 00 00 00 00 02 69 6e 63 68 69 00 58 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 36 46 32 4e | .....inchi.X...InChI=1S/C12H6F2N |
c4340 | 32 4f 32 2f 63 31 33 2d 31 32 28 31 34 29 31 37 2d 31 30 2d 33 2d 31 2d 32 2d 38 28 31 31 28 31 | 2O2/c13-12(14)17-10-3-1-2-8(11(1 |
c4360 | 30 29 31 38 2d 31 32 29 39 2d 36 2d 31 36 2d 35 2d 37 28 39 29 34 2d 31 35 2f 68 31 2d 33 2c 35 | 0)18-12)9-6-16-5-7(9)4-15/h1-3,5 |
c4380 | 2d 36 2c 31 36 48 00 00 e1 03 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 5c 04 77 61 | -6,16H......._id.V.$:+r.0...\.wa |
c43a0 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b5 02 00 00 04 4d | rnings.......fingerprints......M |
c43c0 | 50 32 44 00 aa 02 00 00 02 30 00 12 00 00 00 31 39 3b 31 2d 31 2d 33 33 3b 32 2d 32 2d 31 39 3b | P2D......0.....19;1-1-33;2-2-19; |
c43e0 | 00 02 31 00 11 00 00 00 33 33 3b 31 2d 33 2d 31 39 3b 32 2d 31 2d 31 3b 00 02 32 00 1e 00 00 00 | ..1.....33;1-3-19;2-1-1;..2..... |
c4400 | 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 39 3b 00 02 33 | 19;1-1-1;1-1-33;2-1-1;2-2-19;..3 |
c4420 | 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 33 | .....1;1-1-1;1-1-19;2-1-1;2-1-33 |
c4440 | 3b 00 02 34 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 | ;..4.....1;1-2-1;2-1-1;2-1-19;.. |
c4460 | 35 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 36 00 0f 00 00 00 31 3b 31 2d | 5.....1;1-2-1;2-2-1;..6.....1;1- |
c4480 | 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 37 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b | 2-1;2-2-1;..7.....1;1-2-1;2-2-1; |
c44a0 | 00 02 38 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 39 00 15 00 00 00 31 3b | ..8.....1;1-2-1;2-2-1;..9.....1; |
c44c0 | 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 30 00 15 00 00 00 31 3b 31 2d 31 | 1-2-1;2-1-1;2-1-5;..10.....1;1-1 |
c44e0 | 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 31 31 00 0f 00 00 00 35 3b 31 2d 32 2d 31 3b | -1;1-1-5;2-2-1;..11.....5;1-2-1; |
c4500 | 32 2d 32 2d 31 3b 00 02 31 32 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 | 2-2-1;..12.....1;1-1-1;1-1-5;2-2 |
c4520 | 2d 31 3b 00 02 31 33 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b | -1;..13.....1;1-2-1;2-1-1;2-1-5; |
c4540 | 00 02 31 34 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 35 00 0f 00 00 00 | ..14.....1;1-2-1;2-2-1;..15..... |
c4560 | 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 36 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 | 1;1-2-1;2-2-1;..16.....1;1-2-1;2 |
c4580 | 2d 32 2d 31 3b 00 02 31 37 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 38 | -2-1;..17.....1;1-2-1;2-2-1;..18 |
c45a0 | 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 39 00 1d | .....1;1-2-1;2-1-1;2-1-19;..19.. |
c45c0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 33 3b 00 | ...1;1-1-1;1-1-19;2-1-1;2-1-33;. |
c45e0 | 02 32 30 00 1e 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 33 3b 32 2d 31 2d 31 3b 32 2d | .20.....19;1-1-1;1-1-33;2-1-1;2- |
c4600 | 32 2d 31 39 3b 00 02 32 31 00 11 00 00 00 33 33 3b 31 2d 33 2d 31 39 3b 32 2d 31 2d 31 3b 00 02 | 2-19;..21.....33;1-3-19;2-1-1;.. |
c4620 | 32 32 00 12 00 00 00 31 39 3b 31 2d 31 2d 33 33 3b 32 2d 32 2d 31 39 3b 00 02 32 33 00 12 00 00 | 22.....19;1-1-33;2-2-19;..23.... |
c4640 | 00 31 39 3b 31 2d 31 2d 33 33 3b 32 2d 32 2d 31 39 3b 00 02 32 34 00 12 00 00 00 31 39 3b 31 2d | .19;1-1-33;2-2-19;..24.....19;1- |
c4660 | 31 2d 33 33 3b 32 2d 32 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 20 00 00 00 4e 43 28 3d 4e | 1-33;2-2-19;....smiles.....NC(=N |
c4680 | 43 43 43 43 43 43 43 43 4e 43 43 43 43 43 43 43 43 4e 3d 43 28 4e 29 4e 29 4e 00 09 75 70 64 61 | CCCCCCCCNCCCCCCCCN=C(N)N)N..upda |
c46a0 | 74 65 64 5f 61 74 00 92 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 63 83 7d 46 50 | ted_at...}FP....created_at.c.}FP |
c46c0 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
c46e0 | 00 02 69 6e 63 68 69 00 7c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 38 48 34 31 4e 37 2f 63 31 | ..inchi.|...InChI=1S/C18H41N7/c1 |
c4700 | 39 2d 31 37 28 32 30 29 32 34 2d 31 35 2d 31 31 2d 37 2d 33 2d 31 2d 35 2d 39 2d 31 33 2d 32 33 | 9-17(20)24-15-11-7-3-1-5-9-13-23 |
c4720 | 2d 31 34 2d 31 30 2d 36 2d 32 2d 34 2d 38 2d 31 32 2d 31 36 2d 32 35 2d 31 38 28 32 31 29 32 32 | -14-10-6-2-4-8-12-16-25-18(21)22 |
c4740 | 2f 68 32 33 48 2c 31 2d 31 36 48 32 2c 28 48 34 2c 31 39 2c 32 30 2c 32 34 29 28 48 34 2c 32 31 | /h23H,1-16H2,(H4,19,20,24)(H4,21 |
c4760 | 2c 32 32 2c 32 35 29 00 00 9f 03 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 5d 04 77 | ,22,25)......._id.V.$:+r.0...].w |
c4780 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 8d 02 00 00 04 | arnings.......fingerprints...... |
c47a0 | 4d 50 32 44 00 82 02 00 00 02 30 00 18 00 00 00 33 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 39 3b | MP2D......0.....32;1-1-19;2-1-9; |
c47c0 | 32 2d 31 2d 31 39 3b 00 02 31 00 1f 00 00 00 31 39 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 31 | 2-1-19;..1.....19;1-1-9;1-1-19;1 |
c47e0 | 2d 31 2d 33 32 3b 32 2d 31 2d 33 33 3b 00 02 32 00 18 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d | -1-32;2-1-33;..2.....9;1-1-19;2- |
c4800 | 31 2d 31 39 3b 32 2d 31 2d 33 32 3b 00 02 33 00 2c 00 00 00 31 39 3b 31 2d 31 2d 31 39 3b 31 2d | 1-19;2-1-32;..3.,...19;1-1-19;1- |
c4820 | 31 2d 33 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 32 2d 31 2d 33 32 3b 00 | 1-33;2-1-6;2-1-9;2-1-19;2-1-32;. |
c4840 | 02 34 00 1e 00 00 00 33 33 3b 31 2d 31 2d 36 3b 31 2d 32 2d 31 39 3b 32 2d 33 2d 31 3b 32 2d 31 | .4.....33;1-1-6;1-2-19;2-3-1;2-1 |
c4860 | 2d 31 39 3b 00 02 35 00 1d 00 00 00 36 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 33 3b 32 2d 31 2d 31 | -19;..5.....6;1-1-1;1-1-33;2-1-1 |
c4880 | 3b 32 2d 32 2d 31 39 3b 00 02 36 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 32 2d | ;2-2-19;..6.....1;1-1-1;1-1-6;2- |
c48a0 | 31 2d 31 39 3b 32 2d 31 2d 33 33 3b 00 02 37 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 1-19;2-1-33;..7.#...1;1-1-1;1-1- |
c48c0 | 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 33 33 3b 00 02 38 00 2a 00 00 00 31 39 | 19;2-1-1;2-1-6;2-1-33;..8.*...19 |
c48e0 | 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b | ;1-2-1;1-1-33;2-1-1;2-1-3;2-1-6; |
c4900 | 32 2d 31 2d 31 39 3b 00 02 39 00 23 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d | 2-1-19;..9.#...1;1-1-3;1-1-19;2- |
c4920 | 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 33 3b 00 02 31 30 00 23 00 00 00 33 3b 31 2d 31 2d | 1-1;2-2-3;2-1-33;..10.#...3;1-1- |
c4940 | 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 31 31 | 1;1-2-3;2-1-3;2-1-11;2-1-19;..11 |
c4960 | 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 32 00 1d 00 | .....3;1-2-3;2-1-1;2-2-3;..12... |
c4980 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 35 3b 00 02 | ..3;1-2-3;2-1-3;2-1-11;2-1-15;.. |
c49a0 | 31 33 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 35 3b 32 2d 32 | 13.....3;1-1-3;1-1-11;1-1-15;2-2 |
c49c0 | 2d 33 3b 00 02 31 34 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | -3;..14.....11;1-2-3;2-2-3;2-1-1 |
c49e0 | 35 3b 00 02 31 35 00 1c 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b | 5;..15.....3;1-1-3;1-1-11;2-1-1; |
c4a00 | 32 2d 32 2d 33 3b 00 02 31 36 00 17 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d | 2-2-3;..16.....15;1-1-3;2-1-3;2- |
c4a20 | 31 2d 31 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 23 00 00 00 5b 4f 2d 5d 5b 4e 2b 5d 28 3d 4f 29 | 1-11;....smiles.#...[O-][N+](=O) |
c4a40 | 4e 43 31 3d 4e 43 43 4e 31 43 63 31 63 63 63 28 6e 63 31 29 43 6c 00 09 75 70 64 61 74 65 64 5f | NC1=NCCN1Cc1ccc(nc1)Cl..updated_ |
c4a60 | 61 74 00 94 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 6a 83 7d 46 50 01 00 00 10 | at...}FP....created_at.j.}FP.... |
c4a80 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e | default_fingerprint_size......in |
c4aa0 | 63 68 69 00 5f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 30 43 6c 4e 35 4f 32 2f 63 31 30 | chi._...InChI=1S/C9H10ClN5O2/c10 |
c4ac0 | 2d 38 2d 32 2d 31 2d 37 28 35 2d 31 32 2d 38 29 36 2d 31 34 2d 34 2d 33 2d 31 31 2d 39 28 31 34 | -8-2-1-7(5-12-8)6-14-4-3-11-9(14 |
c4ae0 | 29 31 33 2d 31 35 28 31 36 29 31 37 2f 68 31 2d 32 2c 35 48 2c 33 2d 34 2c 36 48 32 2c 28 48 2c | )13-15(16)17/h1-2,5H,3-4,6H2,(H, |
c4b00 | 31 31 2c 31 33 29 00 00 92 06 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 5e 04 77 61 | 11,13)......._id.V.$:+r.0...^.wa |
c4b20 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 20 05 00 00 04 4d | rnings.......fingerprints......M |
c4b40 | 50 32 44 00 15 05 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 31 | P2D......0.....1;1-1-8;2-1-2;..1 |
c4b60 | 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b | .....8;1-1-1;1-1-2;2-1-9;2-1-28; |
c4b80 | 00 02 32 00 28 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 | ..2.(...2;1-1-8;1-1-9;1-1-28;2-1 |
c4ba0 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 33 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 | -1;2-1-2;2-1-3;..3.....9;1-1-2;2 |
c4bc0 | 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 34 00 29 00 00 00 32 38 3b 31 2d 32 2d 32 3b 31 2d 31 | -1-8;2-1-28;..4.)...28;1-2-2;1-1 |
c4be0 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 35 00 | -3;2-2-3;2-1-8;2-2-9;2-1-28;..5. |
c4c00 | 28 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 32 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 | (...2;1-1-9;1-2-28;2-1-1;2-1-2;2 |
c4c20 | 2d 31 2d 33 3b 32 2d 31 2d 36 3b 00 02 36 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 | -1-3;2-1-6;..6.....9;1-1-2;2-2-2 |
c4c40 | 38 3b 00 02 37 00 2f 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 | 8;..7./...28;1-1-1;1-1-2;1-1-6;2 |
c4c60 | 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 38 00 22 00 00 00 | -1-2;2-1-8;2-1-9;2-1-28;..8."... |
c4c80 | 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 | 1;1-1-8;1-1-28;2-1-1;2-1-2;2-1-6 |
c4ca0 | 3b 00 02 39 00 1c 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 | ;..9.....8;1-2-1;2-1-1;2-2-2;2-1 |
c4cc0 | 2d 32 38 3b 00 02 31 30 00 33 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 31 2d 31 2d 38 | -28;..10.3...1;1-1-1;1-2-2;1-1-8 |
c4ce0 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 | ;2-1-1;2-2-3;2-1-6;2-1-8;2-1-9;. |
c4d00 | 02 31 31 00 34 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d | .11.4...2;1-1-1;1-1-3;1-1-6;2-1- |
c4d20 | 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 | 1;2-1-2;2-2-3;2-1-8;2-1-28;..12. |
c4d40 | 22 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 | "...6;1-1-2;1-1-28;2-2-1;2-1-2;2 |
c4d60 | 2d 31 2d 33 3b 00 02 31 33 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -1-3;..13.!...3;1-1-2;1-2-3;2-2- |
c4d80 | 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 1;2-2-3;2-1-6;..14.....3;1-2-3;2 |
c4da0 | 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -1-2;2-2-3;..15.....3;1-2-3;2-2- |
c4dc0 | 33 3b 32 2d 31 2d 31 35 3b 00 02 31 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 | 3;2-1-15;..16.....3;1-2-3;1-1-15 |
c4de0 | 3b 32 2d 32 2d 33 3b 00 02 31 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | ;2-2-3;..17.....3;1-2-3;2-1-1;2- |
c4e00 | 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 38 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d | 2-3;2-1-15;..18.!...3;1-1-1;1-2- |
c4e20 | 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 39 00 21 00 00 00 31 3b 31 | 3;2-1-1;2-1-2;2-2-3;..19.!...1;1 |
c4e40 | 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 | -1-1;1-1-3;2-2-2;2-2-3;2-1-8;..2 |
c4e60 | 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 31 00 27 00 00 00 32 3b | 0.....15;1-1-3;2-2-3;..21.'...2; |
c4e80 | 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d | 1-1-1;1-1-8;1-1-9;2-2-1;2-1-2;2- |
c4ea0 | 31 2d 38 3b 00 02 32 32 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 | 1-8;..22.....9;1-1-2;2-1-1;2-1-8 |
c4ec0 | 3b 00 02 32 33 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d | ;..23.....8;1-1-1;1-1-2;2-1-1;2- |
c4ee0 | 31 2d 39 3b 00 02 32 34 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 32 35 00 | 1-9;..24.....1;1-1-8;2-1-2;..25. |
c4f00 | 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 00 | ....3;1-2-3;1-1-28;2-2-2;2-2-3;. |
c4f20 | 02 32 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 32 | .26.....3;1-2-3;2-2-3;2-1-28;..2 |
c4f40 | 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 38 00 1b | 7.....3;1-2-3;2-2-3;2-1-8;..28.. |
c4f60 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 | ...3;1-2-3;1-1-8;2-1-1;2-2-3;..2 |
c4f80 | 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 30 00 16 | 9.....3;1-2-3;2-2-3;2-1-8;..30.. |
c4fa0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 33 31 00 1c 00 00 | ...3;1-2-3;2-2-3;2-1-28;..31.... |
c4fc0 | 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 33 32 | .8;1-1-1;1-1-3;2-2-3;2-3-16;..32 |
c4fe0 | 00 16 00 00 00 31 3b 31 2d 31 2d 38 3b 31 2d 33 2d 31 36 3b 32 2d 31 2d 33 3b 00 02 33 33 00 17 | .....1;1-1-8;1-3-16;2-1-3;..33.. |
c5000 | 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 36 3b 00 02 33 34 00 17 00 | ...16;1-1-1;2-1-8;2-2-16;..34... |
c5020 | 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 36 3b 00 02 33 35 00 17 00 00 | ..16;1-1-1;2-1-8;2-2-16;..35.... |
c5040 | 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 36 3b 00 00 00 02 73 6d 69 6c 65 | .16;1-1-1;2-1-8;2-2-16;....smile |
c5060 | 73 00 46 00 00 00 43 4f 43 28 3d 4f 29 4e 28 43 28 3d 4f 29 4e 31 43 4f 43 32 28 43 28 3d 4e 31 | s.F...COC(=O)N(C(=O)N1COC2(C(=N1 |
c5080 | 29 63 31 63 63 63 28 63 63 31 43 32 29 43 6c 29 43 28 3d 4f 29 4f 43 29 63 31 63 63 63 28 63 63 | )c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc |
c50a0 | 31 29 4f 43 28 46 29 28 46 29 46 00 09 75 70 64 61 74 65 64 5f 61 74 00 97 8b 7d 46 50 01 00 00 | 1)OC(F)(F)F..updated_at...}FP... |
c50c0 | 09 63 72 65 61 74 65 64 5f 61 74 00 72 83 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.r.}FP....default_fin |
c50e0 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 9c 00 00 00 49 6e 43 | gerprint_size......inchi.....InC |
c5100 | 68 49 3d 31 53 2f 43 32 32 48 31 37 43 6c 46 33 4e 33 4f 37 2f 63 31 2d 33 33 2d 31 38 28 33 30 | hI=1S/C22H17ClF3N3O7/c1-33-18(30 |
c5120 | 29 32 31 2d 31 30 2d 31 32 2d 39 2d 31 33 28 32 33 29 33 2d 38 2d 31 36 28 31 32 29 31 37 28 32 | )21-10-12-9-13(23)3-8-16(12)17(2 |
c5140 | 31 29 32 37 2d 32 38 28 31 31 2d 33 35 2d 32 31 29 31 39 28 33 31 29 32 39 28 32 30 28 33 32 29 | 1)27-28(11-35-21)19(31)29(20(32) |
c5160 | 33 34 2d 32 29 31 34 2d 34 2d 36 2d 31 35 28 37 2d 35 2d 31 34 29 33 36 2d 32 32 28 32 34 2c 32 | 34-2)14-4-6-15(7-5-14)36-22(24,2 |
c5180 | 35 29 32 36 2f 68 33 2d 39 48 2c 31 30 2d 31 31 48 32 2c 31 2d 32 48 33 00 00 ce 04 00 00 07 5f | 5)26/h3-9H,10-11H2,1-2H3......._ |
c51a0 | 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 5f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V.$:+r.0..._.warnings.......f |
c51c0 | 69 6e 67 65 72 70 72 69 6e 74 73 00 92 03 00 00 04 4d 50 32 44 00 87 03 00 00 02 30 00 0f 00 00 | ingerprints......MP2D......0.... |
c51e0 | 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 31 | .1;1-1-8;2-1-3;..1.....8;1-1-1;1 |
c5200 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 | -1-3;2-2-3;..2.....3;1-2-3;1-1-8 |
c5220 | 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | ;2-2-1;2-2-3;..3.....3;1-2-3;2-2 |
c5240 | 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 | -3;2-1-8;..4.....3;1-2-3;2-2-3;. |
c5260 | 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 28 | .5.....3;1-2-3;2-1-2;2-2-3;..6.( |
c5280 | 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 | ...3;1-1-2;1-2-3;2-1-1;2-2-3;2-1 |
c52a0 | 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 37 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b | -9;2-1-28;..7.!...3;1-1-1;1-2-3; |
c52c0 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 31 2d | 2-1-2;2-2-3;2-1-8;..8.....1;1-1- |
c52e0 | 33 3b 32 2d 32 2d 33 3b 00 02 39 00 23 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d | 3;2-2-3;..9.#...2;1-1-3;1-1-9;1- |
c5300 | 31 2d 32 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 16 00 00 00 39 3b 31 2d 31 | 1-28;2-2-3;2-1-28;..10.....9;1-1 |
c5320 | 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 31 00 29 00 00 00 32 38 3b 31 2d 31 2d | -2;2-1-3;2-1-28;..11.)...28;1-1- |
c5340 | 32 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 | 2;1-1-28;2-1-1;2-1-2;2-1-3;2-1-9 |
c5360 | 3b 00 02 31 32 00 2f 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 32 38 3b | ;..12./...28;1-1-1;1-1-2;1-1-28; |
c5380 | 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 33 00 1d 00 00 | 2-3-1;2-1-2;2-1-3;2-1-9;..13.... |
c53a0 | 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 02 31 | .1;1-3-1;1-1-28;2-1-2;2-1-28;..1 |
c53c0 | 34 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 35 00 | 4.....1;1-1-1;2-2-1;2-1-28;..15. |
c53e0 | 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 36 00 16 00 | ....1;1-1-1;2-2-1;2-1-28;..16... |
c5400 | 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 37 00 29 00 00 00 | ..1;1-1-1;2-2-1;2-1-28;..17.)... |
c5420 | 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | 2;1-1-3;1-1-9;1-1-28;2-1-1;2-2-3 |
c5440 | 3b 32 2d 31 2d 32 38 3b 00 02 31 38 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 | ;2-1-28;..18.....9;1-1-2;2-1-3;2 |
c5460 | 2d 31 2d 32 38 3b 00 02 31 39 00 22 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 | -1-28;..19."...3;1-1-2;1-2-3;2-2 |
c5480 | 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 32 30 00 1b 00 00 00 33 3b 31 2d 32 2d 33 | -3;2-1-9;2-1-28;..20.....3;1-2-3 |
c54a0 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 31 00 15 00 00 00 33 3b 31 2d | ;2-1-1;2-1-2;2-2-3;..21.....3;1- |
c54c0 | 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 32 00 0f 00 00 00 31 3b 31 2d 31 2d 33 | 1-1;1-2-3;2-2-3;..22.....1;1-1-3 |
c54e0 | 3b 32 2d 32 2d 33 3b 00 02 32 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d | ;2-2-3;..23.....3;1-2-3;2-2-1;2- |
c5500 | 32 2d 33 3b 00 02 32 34 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 2-3;..24.....3;1-1-1;1-2-3;2-2-3 |
c5520 | 3b 00 02 32 35 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d | ;..25.....3;1-2-3;2-1-1;2-1-2;2- |
c5540 | 32 2d 33 3b 00 02 32 36 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 | 2-3;..26.....1;1-1-3;2-2-3;....s |
c5560 | 6d 69 6c 65 73 00 32 00 00 00 43 4f 63 31 63 63 63 63 28 63 31 43 29 43 28 3d 4f 29 4e 4e 28 43 | miles.2...COc1cccc(c1C)C(=O)NN(C |
c5580 | 28 43 29 28 43 29 43 29 43 28 3d 4f 29 63 31 63 63 28 43 29 63 63 28 63 31 29 43 00 09 75 70 64 | (C)(C)C)C(=O)c1cc(C)cc(c1)C..upd |
c55a0 | 61 74 65 64 5f 61 74 00 9d 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 7d 83 7d 46 | ated_at...}FP....created_at.}.}F |
c55c0 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
c55e0 | 00 00 02 69 6e 63 68 69 00 7a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 32 48 32 38 4e 32 4f 33 | ...inchi.z...InChI=1S/C22H28N2O3 |
c5600 | 2f 63 31 2d 31 34 2d 31 31 2d 31 35 28 32 29 31 33 2d 31 37 28 31 32 2d 31 34 29 32 31 28 32 36 | /c1-14-11-15(2)13-17(12-14)21(26 |
c5620 | 29 32 34 28 32 32 28 34 2c 35 29 36 29 32 33 2d 32 30 28 32 35 29 31 38 2d 39 2d 38 2d 31 30 2d | )24(22(4,5)6)23-20(25)18-9-8-10- |
c5640 | 31 39 28 32 37 2d 37 29 31 36 28 31 38 29 33 2f 68 38 2d 31 33 48 2c 31 2d 37 48 33 2c 28 48 2c | 19(27-7)16(18)3/h8-13H,1-7H3,(H, |
c5660 | 32 33 2c 32 35 29 00 00 a7 05 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 60 04 77 61 | 23,25)......._id.V.$:+r.0...`.wa |
c5680 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 4d 04 00 00 04 4d | rnings.......fingerprints.M....M |
c56a0 | 50 32 44 00 42 04 00 00 02 30 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 | P2D.B....0.....9;1-1-2;2-2-28;.. |
c56c0 | 31 00 1c 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 32 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 | 1.....2;1-1-9;1-2-28;2-1-2;2-1-3 |
c56e0 | 3b 00 02 32 00 1d 00 00 00 32 38 3b 31 2d 32 2d 32 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 32 2d | ;..2.....28;1-2-2;2-1-3;2-2-9;2- |
c5700 | 31 2d 32 38 3b 00 02 33 00 22 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 | 1-28;..3."...2;1-1-3;1-1-9;1-1-2 |
c5720 | 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d | 8;2-1-2;2-2-3;..4.....9;1-1-2;2- |
c5740 | 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 35 00 29 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 | 1-3;2-1-28;..5.)...3;1-1-2;1-2-3 |
c5760 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 36 3b 32 2d 31 2d 32 38 3b 00 02 36 00 1c | ;2-2-3;2-1-9;2-2-16;2-1-28;..6.. |
c5780 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 36 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 | ...3;1-2-3;1-1-16;2-1-2;2-2-3;.. |
c57a0 | 37 00 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 16 00 00 00 33 3b 31 | 7.....16;1-1-3;2-2-3;..8.....3;1 |
c57c0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 39 00 0f 00 00 00 33 3b 31 2d 32 2d | -2-3;2-2-3;2-1-16;..9.....3;1-2- |
c57e0 | 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 3;2-2-3;..10.....3;1-2-3;2-2-3;2 |
c5800 | 2d 31 2d 31 36 3b 00 02 31 31 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 36 3b 32 2d | -1-16;..11.....3;1-2-3;1-1-16;2- |
c5820 | 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 32 00 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d | 1-2;2-2-3;..12.....16;1-1-3;2-2- |
c5840 | 33 3b 00 02 31 33 00 23 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b | 3;..13.#...28;1-1-2;1-1-3;2-2-3; |
c5860 | 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 2-1-9;2-1-28;..14.....3;1-2-3;1- |
c5880 | 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 35 00 16 00 00 00 33 3b 31 2d 32 2d | 1-28;2-1-2;2-2-3;..15.....3;1-2- |
c58a0 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | 3;2-2-3;2-1-28;..16.....3;1-2-3; |
c58c0 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 37 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | 2-2-3;2-1-8;..17."...3;1-2-3;1-1 |
c58e0 | 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 38 00 1c 00 00 00 33 | -8;2-1-1;2-2-3;2-1-15;..18.....3 |
c5900 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 39 00 1d | ;1-2-3;1-1-15;2-2-3;2-1-8;..19.. |
c5920 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 | ...3;1-2-3;2-2-3;2-1-15;2-1-28;. |
c5940 | 02 32 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 31 00 22 00 00 00 | .20.....15;1-1-3;2-2-3;..21."... |
c5960 | 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 36 | 8;1-1-1;1-1-3;2-1-1;2-2-3;2-2-16 |
c5980 | 3b 00 02 32 32 00 29 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 32 2d 31 36 3b 32 | ;..22.)...1;1-1-1;1-1-8;1-2-16;2 |
c59a0 | 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 36 3b 00 02 32 33 00 29 00 00 00 31 3b 31 2d 31 | -1-3;2-1-8;2-1-16;..23.)...1;1-1 |
c59c0 | 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d | -1;1-1-8;1-1-16;2-1-1;2-1-8;2-2- |
c59e0 | 31 36 3b 00 02 32 34 00 16 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 34 2d 31 36 | 16;..24.....8;1-2-1;2-1-1;2-4-16 |
c5a00 | 3b 00 02 32 35 00 16 00 00 00 31 3b 31 2d 31 2d 38 3b 31 2d 33 2d 31 36 3b 32 2d 31 2d 31 3b 00 | ;..25.....1;1-1-8;1-3-16;2-1-1;. |
c5a20 | 02 32 36 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 36 3b 00 02 | .26.....16;1-1-1;2-1-8;2-2-16;.. |
c5a40 | 32 37 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 36 3b 00 02 32 | 27.....16;1-1-1;2-1-8;2-2-16;..2 |
c5a60 | 38 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 36 3b 00 02 32 39 | 8.....16;1-1-1;2-1-8;2-2-16;..29 |
c5a80 | 00 16 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 30 00 1d | .....16;1-1-1;2-1-1;2-1-8;..30.. |
c5aa0 | 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 36 3b 00 | ...16;1-1-1;2-1-1;2-1-8;2-1-16;. |
c5ac0 | 02 33 31 00 1d 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 | .31.....16;1-1-1;2-1-1;2-1-8;2-1 |
c5ae0 | 2d 31 36 3b 00 00 00 02 73 6d 69 6c 65 73 00 3c 00 00 00 4f 3d 43 28 4e 43 28 3d 4f 29 63 31 63 | -16;....smiles.<...O=C(NC(=O)c1c |
c5b00 | 28 46 29 63 63 63 63 31 46 29 4e 63 31 63 63 63 28 63 28 63 31 29 43 6c 29 4f 43 28 43 28 4f 43 | (F)cccc1F)Nc1ccc(c(c1)Cl)OC(C(OC |
c5b20 | 28 46 29 28 46 29 46 29 46 29 28 46 29 46 00 09 75 70 64 61 74 65 64 5f 61 74 00 a0 8b 7d 46 50 | (F)(F)F)F)(F)F..updated_at...}FP |
c5b40 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 85 83 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at...}FP....default_ |
c5b60 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 8e 00 00 00 | fingerprint_size......inchi..... |
c5b80 | 49 6e 43 68 49 3d 31 53 2f 43 31 37 48 39 43 6c 46 38 4e 32 4f 34 2f 63 31 38 2d 38 2d 36 2d 37 | InChI=1S/C17H9ClF8N2O4/c18-8-6-7 |
c5ba0 | 28 34 2d 35 2d 31 31 28 38 29 33 31 2d 31 36 28 32 32 2c 32 33 29 31 34 28 32 31 29 33 32 2d 31 | (4-5-11(8)31-16(22,23)14(21)32-1 |
c5bc0 | 37 28 32 34 2c 32 35 29 32 36 29 32 37 2d 31 35 28 33 30 29 32 38 2d 31 33 28 32 39 29 31 32 2d | 7(24,25)26)27-15(30)28-13(29)12- |
c5be0 | 39 28 31 39 29 32 2d 31 2d 33 2d 31 30 28 31 32 29 32 30 2f 68 31 2d 36 2c 31 34 48 2c 28 48 32 | 9(19)2-1-3-10(12)20/h1-6,14H,(H2 |
c5c00 | 2c 32 37 2c 32 38 2c 32 39 2c 33 30 29 00 00 cb 03 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 | ,27,28,29,30)......._id.V.$:+r.0 |
c5c20 | fb 00 01 61 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 | ...a.warnings.......fingerprints |
c5c40 | 00 ba 02 00 00 04 4d 50 32 44 00 af 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d | ......MP2D......0.....1;1-1-3;2- |
c5c60 | 32 2d 33 3b 00 02 31 00 15 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | 2-3;..1.....3;1-1-1;1-2-3;2-2-3; |
c5c80 | 00 02 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 | ..2.....3;1-2-3;2-1-1;2-2-3;..3. |
c5ca0 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 34 00 24 00 00 | ....3;1-2-3;2-2-3;2-1-19;..4.$.. |
c5cc0 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 32 2d 31 | .3;1-2-3;1-1-19;2-2-3;2-1-10;2-1 |
c5ce0 | 2d 33 30 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 | -30;..5.....3;1-2-3;2-2-3;2-1-19 |
c5d00 | 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 | ;..6.....3;1-2-3;2-1-1;2-2-3;..7 |
c5d20 | 00 30 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d | .0...19;1-1-3;1-1-10;1-1-30;2-1- |
c5d40 | 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 32 2d 32 2d 39 3b 00 02 38 00 2a 00 00 00 33 30 3b 31 | 1;2-2-3;2-1-5;2-2-9;..8.*...30;1 |
c5d60 | 2d 31 2d 35 3b 31 2d 32 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d | -1-5;1-2-9;1-1-19;2-2-1;2-1-3;2- |
c5d80 | 31 2d 31 30 3b 00 02 39 00 1d 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 35 3b 32 2d 31 2d | 1-10;..9.....9;1-1-30;2-1-5;2-1- |
c5da0 | 39 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 1d 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 35 | 9;2-1-19;..10.....9;1-1-30;2-1-5 |
c5dc0 | 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 1d 00 00 00 35 3b 31 2d 32 2d 31 3b 31 | ;2-1-9;2-1-19;..11.....5;1-2-1;1 |
c5de0 | 2d 31 2d 33 30 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 32 00 16 00 00 00 31 3b 31 2d | -1-30;2-2-9;2-1-19;..12.....1;1- |
c5e00 | 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 30 3b 00 02 31 33 00 16 00 00 00 31 3b 31 2d 31 2d | 1-5;2-1-1;2-1-30;..13.....1;1-1- |
c5e20 | 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 30 3b 00 02 31 34 00 2c 00 00 00 31 30 3b 31 2d 31 2d 31 | 5;2-1-1;2-1-30;..14.,...10;1-1-1 |
c5e40 | 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 35 3b 32 2d 31 2d 31 36 3b 32 2d 31 2d | ;1-1-19;2-1-3;2-2-15;2-1-16;2-1- |
c5e60 | 33 30 3b 00 02 31 35 00 1f 00 00 00 31 3b 31 2d 31 2d 31 30 3b 31 2d 32 2d 31 35 3b 31 2d 31 2d | 30;..15.....1;1-1-10;1-2-15;1-1- |
c5e80 | 31 36 3b 32 2d 31 2d 31 39 3b 00 02 31 36 00 1f 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d | 16;2-1-19;..16.....15;1-1-1;2-1- |
c5ea0 | 31 30 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 31 36 3b 00 02 31 37 00 1f 00 00 00 31 35 3b 31 2d 31 | 10;2-1-15;2-1-16;..17.....15;1-1 |
c5ec0 | 2d 31 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 31 36 3b 00 02 31 38 00 18 00 00 | -1;2-1-10;2-1-15;2-1-16;..18.... |
c5ee0 | 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 32 2d 32 2d 31 35 3b 00 00 00 02 73 6d 69 6c | .16;1-1-1;2-1-10;2-2-15;....smil |
c5f00 | 65 73 00 28 00 00 00 43 63 31 63 63 63 28 63 63 31 29 4e 28 53 28 3d 4f 29 28 3d 4f 29 4e 28 43 | es.(...Cc1ccc(cc1)N(S(=O)(=O)N(C |
c5f20 | 29 43 29 53 43 28 43 6c 29 28 43 6c 29 46 00 09 75 70 64 61 74 65 64 5f 61 74 00 a2 8b 7d 46 50 | )C)SC(Cl)(Cl)F..updated_at...}FP |
c5f40 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 8c 83 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at...}FP....default_ |
c5f60 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 59 00 00 00 | fingerprint_size......inchi.Y... |
c5f80 | 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 33 43 6c 32 46 4e 32 4f 32 53 32 2f 63 31 2d 38 2d 34 | InChI=1S/C10H13Cl2FN2O2S2/c1-8-4 |
c5fa0 | 2d 36 2d 39 28 37 2d 35 2d 38 29 31 35 28 31 38 2d 31 30 28 31 31 2c 31 32 29 31 33 29 31 39 28 | -6-9(7-5-8)15(18-10(11,12)13)19( |
c5fc0 | 31 36 2c 31 37 29 31 34 28 32 29 33 2f 68 34 2d 37 48 2c 31 2d 33 48 33 00 00 57 02 00 00 07 5f | 16,17)14(2)3/h4-7H,1-3H3..W...._ |
c5fe0 | 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 62 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V.$:+r.0...b.warnings.......f |
c6000 | 69 6e 67 65 72 70 72 69 6e 74 73 00 6e 01 00 00 04 4d 50 32 44 00 63 01 00 00 02 30 00 0f 00 00 | ingerprints.n....MP2D.c....0.... |
c6020 | 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | .8;1-1-3;2-2-3;..1.....3;1-2-3;1 |
c6040 | 2d 31 2d 38 3b 32 2d 32 2d 33 3b 00 02 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -1-8;2-2-3;..2.....3;1-2-3;2-2-3 |
c6060 | 3b 32 2d 31 2d 38 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | ;2-1-8;..3.....3;1-2-3;2-2-3;2-1 |
c6080 | 2d 38 3b 00 02 34 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 | -8;..4.....3;1-2-3;1-1-8;2-1-1;2 |
c60a0 | 2d 32 2d 33 3b 00 02 35 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 31 | -2-3;..5.!...3;1-1-1;1-2-3;2-3-1 |
c60c0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | ;2-2-3;2-1-8;..6.....3;1-2-3;2-1 |
c60e0 | 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 31 | -1;2-2-3;2-1-8;..7.....1;1-3-1;1 |
c6100 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 | -1-3;2-2-3;..8.....1;1-1-1;2-2-1 |
c6120 | 3b 32 2d 31 2d 33 3b 00 02 39 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 | ;2-1-3;..9.....1;1-1-1;2-2-1;2-1 |
c6140 | 2d 33 3b 00 02 31 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b | -3;..10.....1;1-1-1;2-2-1;2-1-3; |
c6160 | 00 02 31 31 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 | ..11.....8;1-1-3;2-2-3;....smile |
c6180 | 73 00 17 00 00 00 4f 63 31 63 63 63 28 63 28 63 31 29 43 28 43 29 28 43 29 43 29 4f 00 09 75 70 | s.....Oc1ccc(c(c1)C(C)(C)C)O..up |
c61a0 | 64 61 74 65 64 5f 61 74 00 a4 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 92 83 7d | dated_at...}FP....created_at...} |
c61c0 | 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 | FP....default_fingerprint_size.. |
c61e0 | 00 00 00 02 69 6e 63 68 69 00 42 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 34 4f 32 2f | ....inchi.B...InChI=1S/C10H14O2/ |
c6200 | 63 31 2d 31 30 28 32 2c 33 29 38 2d 36 2d 37 28 31 31 29 34 2d 35 2d 39 28 38 29 31 32 2f 68 34 | c1-10(2,3)8-6-7(11)4-5-9(8)12/h4 |
c6220 | 2d 36 2c 31 31 2d 31 32 48 2c 31 2d 33 48 33 00 00 01 05 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 | -6,11-12H,1-3H3......._id.V.$:+r |
c6240 | ed 30 fb 00 01 63 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .0...c.warnings.......fingerprin |
c6260 | 74 73 00 c3 03 00 00 04 4d 50 32 44 00 b8 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 39 3b | ts......MP2D......0.....1;1-1-9; |
c6280 | 32 2d 31 2d 36 3b 00 02 31 00 15 00 00 00 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d | 2-1-6;..1.....9;1-1-1;1-1-6;2-1- |
c62a0 | 32 3b 00 02 32 00 21 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d | 2;..2.!...6;1-1-2;1-1-9;2-1-1;2- |
c62c0 | 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 33 00 27 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b | 1-2;2-1-3;..3.'...2;1-1-2;1-1-3; |
c62e0 | 31 2d 31 2d 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 34 00 27 00 00 00 | 1-1-6;2-2-3;2-1-8;2-2-9;..4.'... |
c6300 | 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b | 3;1-1-2;1-2-3;2-1-1;2-1-2;2-2-3; |
c6320 | 32 2d 31 2d 36 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d | 2-1-6;..5.....3;1-2-3;2-1-2;2-2- |
c6340 | 33 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 0f 00 00 00 | 3;..6.....3;1-2-3;2-2-3;..7..... |
c6360 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 3;1-2-3;2-2-3;..8.....3;1-2-3;2- |
c6380 | 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b | 1-1;2-2-3;..9.!...3;1-1-1;1-2-3; |
c63a0 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 30 00 1b 00 00 00 31 3b 31 2d 31 | 2-1-2;2-2-3;2-1-9;..10.....1;1-1 |
c63c0 | 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 31 00 1b 00 00 00 39 3b | -3;1-1-9;2-2-3;2-1-6;..11.....9; |
c63e0 | 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 32 00 1b 00 00 | 1-1-1;1-1-6;2-1-2;2-1-3;..12.... |
c6400 | 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 33 00 | .6;1-1-2;1-1-9;2-2-1;2-1-3;..13. |
c6420 | 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 32 2d 33 3b 32 2d | !...2;1-1-1;1-1-3;1-1-6;2-2-3;2- |
c6440 | 31 2d 39 3b 00 02 31 34 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 | 1-9;..14.!...3;1-1-2;1-2-3;2-1-1 |
c6460 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-3;2-1-6;..15.....3;1-2-3;2- |
c6480 | 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 1-2;2-2-3;..16.....3;1-2-3;2-2-3 |
c64a0 | 3b 00 02 31 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 | ;..17.....3;1-2-3;2-1-1;2-2-3;.. |
c64c0 | 31 38 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 | 18.....3;1-1-1;1-2-3;2-2-3;2-3-1 |
c64e0 | 36 3b 00 02 31 39 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 | 6;..19.....3;1-2-3;2-1-1;2-1-2;2 |
c6500 | 2d 32 2d 33 3b 00 02 32 30 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 3b 32 2d 32 | -2-3;..20.....1;1-1-3;1-3-16;2-2 |
c6520 | 2d 33 3b 00 02 32 31 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 | -3;..21.....16;1-1-1;2-1-3;2-2-1 |
c6540 | 36 3b 00 02 32 32 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 | 6;..22.....16;1-1-1;2-1-3;2-2-16 |
c6560 | 3b 00 02 32 33 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b | ;..23.....16;1-1-1;2-1-3;2-2-16; |
c6580 | 00 02 32 34 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 00 02 32 | ..24.....1;1-1-2;2-1-3;2-1-6;..2 |
c65a0 | 35 00 27 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b | 5.'...2;1-1-2;1-1-8;1-1-9;2-1-1; |
c65c0 | 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 00 02 32 36 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 | 2-1-3;2-1-6;..26.....9;1-1-2;2-1 |
c65e0 | 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 37 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | -2;2-1-8;..27.....8;1-1-1;1-1-2; |
c6600 | 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 32 38 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 | 2-1-2;2-1-9;..28.....1;1-1-8;2-1 |
c6620 | 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 31 00 00 00 43 4f 4e 3d 43 28 63 31 63 63 63 63 63 31 | -2;....smiles.1...CON=C(c1ccccc1 |
c6640 | 43 4f 4e 3d 43 28 63 31 63 63 63 63 28 63 31 29 43 28 46 29 28 46 29 46 29 43 29 43 28 3d 4f 29 | CON=C(c1cccc(c1)C(F)(F)F)C)C(=O) |
c6660 | 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 a7 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f | OC..updated_at...}FP....created_ |
c6680 | 61 74 00 99 83 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f | at...}FP....default_fingerprint_ |
c66a0 | 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 7d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 30 | size......inchi.}...InChI=1S/C20 |
c66c0 | 48 31 39 46 33 4e 32 4f 34 2f 63 31 2d 31 33 28 31 34 2d 38 2d 36 2d 39 2d 31 36 28 31 31 2d 31 | H19F3N2O4/c1-13(14-8-6-9-16(11-1 |
c66e0 | 34 29 32 30 28 32 31 2c 32 32 29 32 33 29 32 34 2d 32 39 2d 31 32 2d 31 35 2d 37 2d 34 2d 35 2d | 4)20(21,22)23)24-29-12-15-7-4-5- |
c6700 | 31 30 2d 31 37 28 31 35 29 31 38 28 32 35 2d 32 38 2d 33 29 31 39 28 32 36 29 32 37 2d 32 2f 68 | 10-17(15)18(25-28-3)19(26)27-2/h |
c6720 | 34 2d 31 31 48 2c 31 32 48 32 2c 31 2d 33 48 33 00 00 c6 04 00 00 07 5f 69 64 00 56 16 24 3a 2b | 4-11H,12H2,1-3H3......._id.V.$:+ |
c6740 | 72 ed 30 fb 00 01 64 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.0...d.warnings.......fingerpri |
c6760 | 6e 74 73 00 90 03 00 00 04 4d 50 32 44 00 85 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 | nts......MP2D......0.....1;1-1-8 |
c6780 | 3b 32 2d 31 2d 32 3b 00 02 31 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 | ;2-1-2;..1.....8;1-1-1;1-1-2;2-1 |
c67a0 | 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 32 00 28 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b | -9;2-1-28;..2.(...2;1-1-8;1-1-9; |
c67c0 | 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 00 16 00 00 | 1-1-28;2-1-1;2-1-3;2-1-8;..3.... |
c67e0 | 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 34 00 2e 00 00 00 32 38 | .9;1-1-2;2-1-8;2-1-28;..4.....28 |
c6800 | 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 | ;1-1-2;1-1-3;1-1-8;2-1-1;2-2-3;2 |
c6820 | 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 00 28 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 | -1-8;2-1-9;..5.(...3;1-2-3;1-1-2 |
c6840 | 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 16 00 | 8;2-1-1;2-1-2;2-2-3;2-1-8;..6... |
c6860 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 37 00 0f 00 00 00 33 | ..3;1-2-3;2-2-3;2-1-28;..7.....3 |
c6880 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | ;1-2-3;2-2-3;..8.....3;1-2-3;2-2 |
c68a0 | 2d 33 3b 00 02 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 | -3;..9.....3;1-2-3;2-1-1;2-2-3;. |
c68c0 | 02 31 30 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | .10."...3;1-1-1;1-2-3;2-2-3;2-1- |
c68e0 | 38 3b 32 2d 31 2d 32 38 3b 00 02 31 31 00 15 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b | 8;2-1-28;..11.....1;1-1-3;1-1-8; |
c6900 | 32 2d 33 2d 33 3b 00 02 31 32 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 | 2-3-3;..12.....8;1-1-1;1-1-3;2-2 |
c6920 | 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 33 00 29 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 | -3;2-1-11;..13.)...3;1-1-3;1-1-8 |
c6940 | 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 34 00 | ;1-1-11;2-1-1;2-1-3;2-1-11;..14. |
c6960 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 31 3b 00 02 31 35 00 1d 00 | ....3;1-2-3;2-1-8;2-2-11;..15... |
c6980 | 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 | ..3;1-1-3;1-1-11;2-2-3;2-1-11;.. |
c69a0 | 31 36 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 34 2d 33 3b 00 02 31 | 16.....11;1-2-3;1-1-11;2-4-3;..1 |
c69c0 | 37 00 1d 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d | 7.....11;1-1-3;1-1-11;2-3-3;2-1- |
c69e0 | 38 3b 00 02 31 38 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b | 8;..18.....3;1-2-3;1-1-11;2-3-3; |
c6a00 | 32 2d 31 2d 31 31 3b 00 02 31 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | 2-1-11;..19.....3;1-2-3;2-2-3;2- |
c6a20 | 31 2d 31 31 3b 00 02 32 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 1-11;..20.....3;1-2-3;2-2-3;2-1- |
c6a40 | 31 35 3b 00 02 32 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 | 15;..21.....3;1-2-3;1-1-15;2-2-3 |
c6a60 | 3b 00 02 32 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 | ;..22.....3;1-2-3;2-2-3;2-1-15;. |
c6a80 | 02 32 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 | .23.....3;1-2-3;2-2-3;2-1-11;..2 |
c6aa0 | 34 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 35 00 1c 00 00 00 38 3b | 4.....15;1-1-3;2-2-3;..25.....8; |
c6ac0 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 32 36 00 10 00 | 1-1-1;1-1-28;2-1-2;2-1-3;..26... |
c6ae0 | 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 2c 00 00 00 | ..1;1-1-8;2-1-28;....smiles.,... |
c6b00 | 43 4f 43 28 3d 4f 29 4e 28 63 31 63 63 63 63 63 31 43 4f 63 31 63 63 6e 28 6e 31 29 63 31 63 63 | COC(=O)N(c1ccccc1COc1ccn(n1)c1cc |
c6b20 | 63 28 63 63 31 29 43 6c 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 aa 8b 7d 46 50 01 00 00 | c(cc1)Cl)OC..updated_at...}FP... |
c6b40 | 09 63 72 65 61 74 65 64 5f 61 74 00 a0 83 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at...}FP....default_fin |
c6b60 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 7a 00 00 00 49 6e 43 | gerprint_size......inchi.z...InC |
c6b80 | 68 49 3d 31 53 2f 43 31 39 48 31 38 43 6c 4e 33 4f 34 2f 63 31 2d 32 35 2d 31 39 28 32 34 29 32 | hI=1S/C19H18ClN3O4/c1-25-19(24)2 |
c6ba0 | 33 28 32 36 2d 32 29 31 37 2d 36 2d 34 2d 33 2d 35 2d 31 34 28 31 37 29 31 33 2d 32 37 2d 31 38 | 3(26-2)17-6-4-3-5-14(17)13-27-18 |
c6bc0 | 2d 31 31 2d 31 32 2d 32 32 28 32 31 2d 31 38 29 31 36 2d 39 2d 37 2d 31 35 28 32 30 29 38 2d 31 | -11-12-22(21-18)16-9-7-15(20)8-1 |
c6be0 | 30 2d 31 36 2f 68 33 2d 31 32 48 2c 31 33 48 32 2c 31 2d 32 48 33 00 00 ed 03 00 00 07 5f 69 64 | 0-16/h3-12H,13H2,1-2H3......._id |
c6c00 | 00 56 16 24 3a 2b 72 ed 30 fb 00 01 65 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V.$:+r.0...e.warnings.......fin |
c6c20 | 67 65 72 70 72 69 6e 74 73 00 d1 02 00 00 04 4d 50 32 44 00 c6 02 00 00 02 30 00 16 00 00 00 31 | gerprints......MP2D......0.....1 |
c6c40 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 00 16 00 00 00 31 3b 31 2d | ;1-1-1;2-1-1;2-1-28;..1.....1;1- |
c6c60 | 32 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 32 3b 00 02 32 00 30 00 00 00 32 38 3b 31 2d 31 2d | 2-1;1-1-28;2-2-2;..2.0...28;1-1- |
c6c80 | 31 3b 31 2d 32 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 30 | 1;1-2-2;2-2-1;2-1-6;2-1-9;2-1-10 |
c6ca0 | 3b 32 2d 31 2d 32 38 3b 00 02 33 00 23 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 30 3b 31 | ;2-1-28;..3.#...2;1-1-6;1-1-10;1 |
c6cc0 | 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 00 23 00 00 00 36 3b 31 2d 31 2d | -1-28;2-3-1;2-1-2;..4.#...6;1-1- |
c6ce0 | 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 32 38 3b 00 02 35 00 | 1;1-1-2;2-3-1;2-1-10;2-1-28;..5. |
c6d00 | 15 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 00 02 36 00 15 00 00 00 | ....1;1-3-1;1-1-6;2-1-2;..6..... |
c6d20 | 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 37 00 15 00 00 00 31 3b 31 2d | 1;1-1-1;2-2-1;2-1-6;..7.....1;1- |
c6d40 | 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 38 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b | 1-1;2-2-1;2-1-6;..8.....1;1-1-1; |
c6d60 | 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 39 00 1d 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-2-1;2-1-6;..9.....10;1-1-1;1-1 |
c6d80 | 2d 32 3b 32 2d 31 2d 36 3b 32 2d 32 2d 32 38 3b 00 02 31 30 00 1d 00 00 00 31 3b 31 2d 31 2d 31 | -2;2-1-6;2-2-28;..10.....1;1-1-1 |
c6da0 | 30 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 31 00 30 00 00 00 32 38 | 0;1-1-28;2-2-2;2-1-3;..11.0...28 |
c6dc0 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 | ;1-1-1;1-1-2;1-1-3;2-2-3;2-1-9;2 |
c6de0 | 2d 31 2d 31 30 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 22 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d | -1-10;2-1-28;..12."...2;1-1-9;1- |
c6e00 | 32 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 33 00 10 00 00 00 | 2-28;2-2-1;2-1-2;2-1-3;..13..... |
c6e20 | 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 31 34 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b | 9;1-1-2;2-2-28;..14."...3;1-2-3; |
c6e40 | 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 35 00 16 00 | 1-1-28;2-1-1;2-1-2;2-2-3;..15... |
c6e60 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 36 00 0f 00 00 00 | ..3;1-2-3;2-2-3;2-1-28;..16..... |
c6e80 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-2-3;2-2-3;..17.....3;1-2-3;2 |
c6ea0 | 2d 32 2d 33 3b 00 02 31 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 39 | -2-3;..18.....3;1-2-3;2-2-3;..19 |
c6ec0 | 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 32 30 00 16 | .....3;1-2-3;2-2-3;2-1-28;..20.. |
c6ee0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 00 00 02 73 6d 69 6c | ...1;1-1-1;2-1-1;2-1-28;....smil |
c6f00 | 65 73 00 26 00 00 00 43 43 28 4e 31 43 28 3d 4e 43 28 43 29 28 43 29 43 29 53 43 4e 28 43 31 3d | es.&...CC(N1C(=NC(C)(C)C)SCN(C1= |
c6f20 | 4f 29 63 31 63 63 63 63 63 31 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 ad 8b 7d 46 50 01 00 | O)c1ccccc1)C..updated_at...}FP.. |
c6f40 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 a7 83 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at...}FP....default_fi |
c6f60 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 66 00 00 00 49 6e | ngerprint_size......inchi.f...In |
c6f80 | 43 68 49 3d 31 53 2f 43 31 36 48 32 33 4e 33 4f 53 2f 63 31 2d 31 32 28 32 29 31 39 2d 31 34 28 | ChI=1S/C16H23N3OS/c1-12(2)19-14( |
c6fa0 | 31 37 2d 31 36 28 33 2c 34 29 35 29 32 31 2d 31 31 2d 31 38 28 31 35 28 31 39 29 32 30 29 31 33 | 17-16(3,4)5)21-11-18(15(19)20)13 |
c6fc0 | 2d 39 2d 37 2d 36 2d 38 2d 31 30 2d 31 33 2f 68 36 2d 31 30 2c 31 32 48 2c 31 31 48 32 2c 31 2d | -9-7-6-8-10-13/h6-10,12H,11H2,1- |
c6fe0 | 35 48 33 00 00 f1 03 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 66 04 77 61 72 6e 69 | 5H3......._id.V.$:+r.0...f.warni |
c7000 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 d1 02 00 00 04 4d 50 32 44 | ngs.......fingerprints......MP2D |
c7020 | 00 c6 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 | ......0.....1;1-1-1;2-1-1;..1... |
c7040 | 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b | ..1;1-2-1;2-1-2;..2."...1;1-1-1; |
c7060 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 31 3b 00 02 33 00 28 00 00 | 1-1-2;2-1-1;2-1-2;2-1-31;..3.(.. |
c7080 | 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d | .2;1-1-1;1-1-2;1-1-31;2-1-1;2-2- |
c70a0 | 32 3b 32 2d 31 2d 38 3b 00 02 34 00 1c 00 00 00 32 3b 31 2d 33 2d 32 3b 32 2d 33 2d 31 3b 32 2d | 2;2-1-8;..4.....2;1-3-2;2-3-1;2- |
c70c0 | 32 2d 39 3b 32 2d 31 2d 33 31 3b 00 02 35 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | 2-9;2-1-31;..5.!...2;1-1-1;1-1-2 |
c70e0 | 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 36 00 15 00 00 00 39 3b 31 2d 31 | ;1-1-9;2-1-1;2-2-2;..6.....9;1-1 |
c7100 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 37 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | -2;2-1-1;2-1-2;..7.!...1;1-1-1;1 |
c7120 | 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 38 00 15 00 00 00 31 | -1-2;2-2-1;2-1-2;2-1-9;..8.....1 |
c7140 | 3b 31 2d 33 2d 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 39 00 21 00 00 00 31 3b 31 2d 31 | ;1-3-1;2-2-1;2-2-2;..9.!...1;1-1 |
c7160 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 30 00 | -1;1-1-2;2-2-1;2-1-2;2-1-9;..10. |
c7180 | 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d | !...2;1-1-1;1-1-2;1-1-9;2-1-1;2- |
c71a0 | 32 2d 32 3b 00 02 31 31 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 | 2-2;..11.....9;1-1-2;2-1-1;2-1-2 |
c71c0 | 3b 00 02 31 32 00 16 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 31 30 3b 00 | ;..12.....1;1-3-1;2-3-1;2-1-10;. |
c71e0 | 02 31 33 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 34 00 16 00 00 00 31 | .13.....1;1-2-1;2-3-1;..14.....1 |
c7200 | 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 31 35 00 16 00 00 00 31 3b 31 | ;1-2-1;2-1-1;2-1-10;..15.....1;1 |
c7220 | 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 31 3b 00 02 31 36 00 10 00 00 00 31 30 3b 31 2d | -1-1;1-1-10;2-2-1;..16.....10;1- |
c7240 | 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 37 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 | 2-1;2-2-1;..17.....1;1-1-1;1-1-1 |
c7260 | 30 3b 32 2d 33 2d 31 3b 00 02 31 38 00 1c 00 00 00 33 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b | 0;2-3-1;..18.....31;1-1-2;1-1-8; |
c7280 | 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 39 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-2-1;2-1-2;..19.....8;1-1-1;1-1 |
c72a0 | 2d 33 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 30 00 16 00 00 00 31 3b 31 2d 31 2d 31 | -31;2-1-1;2-1-2;..20.....1;1-1-1 |
c72c0 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 31 3b 00 02 32 31 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 | ;1-1-8;2-1-31;..21.....1;1-1-1;2 |
c72e0 | 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 24 00 00 00 43 43 43 43 28 3d 43 31 43 28 3d 4f | -1-8;....smiles.$...CCCC(=C1C(=O |
c7300 | 29 43 43 28 43 43 31 3d 4f 29 43 31 43 43 43 53 43 31 29 4e 4f 43 43 00 09 75 70 64 61 74 65 64 | )CC(CC1=O)C1CCCSC1)NOCC..updated |
c7320 | 5f 61 74 00 b2 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 b2 83 7d 46 50 01 00 00 | _at...}FP....created_at...}FP... |
c7340 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 | .default_fingerprint_size......i |
c7360 | 6e 63 68 69 00 6c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 37 48 32 37 4e 4f 33 53 2f 63 31 2d | nchi.l...InChI=1S/C17H27NO3S/c1- |
c7380 | 33 2d 36 2d 31 34 28 31 38 2d 32 31 2d 34 2d 32 29 31 37 2d 31 35 28 31 39 29 39 2d 31 33 28 31 | 3-6-14(18-21-4-2)17-15(19)9-13(1 |
c73a0 | 30 2d 31 36 28 31 37 29 32 30 29 31 32 2d 37 2d 35 2d 38 2d 32 32 2d 31 31 2d 31 32 2f 68 31 32 | 0-16(17)20)12-7-5-8-22-11-12/h12 |
c73c0 | 2d 31 33 2c 31 38 48 2c 33 2d 31 31 48 32 2c 31 2d 32 48 33 00 00 ec 02 00 00 07 5f 69 64 00 56 | -13,18H,3-11H2,1-2H3......._id.V |
c73e0 | 16 24 3a 2b 72 ed 30 fb 00 01 67 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | .$:+r.0...g.warnings.......finge |
c7400 | 72 70 72 69 6e 74 73 00 ef 01 00 00 04 4d 50 32 44 00 e4 01 00 00 02 30 00 0f 00 00 00 37 3b 31 | rprints......MP2D......0.....7;1 |
c7420 | 2d 31 2d 34 3b 32 2d 31 2d 33 3b 00 02 31 00 15 00 00 00 34 3b 31 2d 31 2d 33 3b 31 2d 31 2d 37 | -1-4;2-1-3;..1.....4;1-1-3;1-1-7 |
c7440 | 3b 32 2d 32 2d 33 3b 00 02 32 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 34 3b 32 2d 31 | ;2-2-3;..2.#...3;1-2-3;1-1-4;2-1 |
c7460 | 2d 37 3b 32 2d 32 2d 31 31 3b 32 2d 32 2d 31 39 3b 00 02 33 00 23 00 00 00 33 3b 31 2d 31 2d 33 | -7;2-2-11;2-2-19;..3.#...3;1-1-3 |
c7480 | 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 34 3b 00 02 34 00 17 | ;1-1-11;1-1-19;2-2-3;2-1-4;..4.. |
c74a0 | 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 35 00 1e 00 00 | ...19;1-1-3;2-1-3;2-1-11;..5.... |
c74c0 | 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 32 2d 31 39 3b 00 02 | .11;1-2-3;2-1-3;2-1-11;2-2-19;.. |
c74e0 | 36 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d | 6.....3;1-2-11;1-1-19;2-1-1;2-2- |
c7500 | 33 3b 00 02 37 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b | 3;..7.....11;1-2-3;2-1-3;2-1-11; |
c7520 | 32 2d 32 2d 31 39 3b 00 02 38 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d | 2-2-19;..8.#...3;1-1-3;1-1-11;1- |
c7540 | 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 34 3b 00 02 39 00 17 00 00 00 31 39 3b 31 2d 31 2d | 1-19;2-2-3;2-1-4;..9.....19;1-1- |
c7560 | 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 1d 00 00 00 31 39 3b 31 2d 31 2d 31 | 3;2-1-3;2-1-11;..10.....19;1-1-1 |
c7580 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 31 31 3b 00 02 31 31 00 1c 00 00 00 31 3b 31 | ;1-1-3;2-2-1;2-2-11;..11.....1;1 |
c75a0 | 2d 32 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 32 00 16 00 00 | -2-1;1-1-19;2-2-1;2-1-3;..12.... |
c75c0 | 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 16 00 00 00 31 | .1;1-2-1;2-2-1;2-1-19;..13.....1 |
c75e0 | 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 18 | ;1-2-1;2-2-1;2-1-19;....smiles.. |
c7600 | 00 00 00 4e 23 43 63 31 63 28 4e 29 6e 63 28 6e 63 31 4e 29 4e 43 31 43 43 31 00 09 75 70 64 61 | ...N#Cc1c(N)nc(nc1N)NC1CC1..upda |
c7620 | 74 65 64 5f 61 74 00 b5 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 b8 83 7d 46 50 | ted_at...}FP....created_at...}FP |
c7640 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 | ....default_fingerprint_size.... |
c7660 | 00 02 69 6e 63 68 69 00 55 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 31 30 4e 36 2f 63 39 2d | ..inchi.U...InChI=1S/C8H10N6/c9- |
c7680 | 33 2d 35 2d 36 28 31 30 29 31 33 2d 38 28 31 34 2d 37 28 35 29 31 31 29 31 32 2d 34 2d 31 2d 32 | 3-5-6(10)13-8(14-7(5)11)12-4-1-2 |
c76a0 | 2d 34 2f 68 34 48 2c 31 2d 32 48 32 2c 28 48 35 2c 31 30 2c 31 31 2c 31 32 2c 31 33 2c 31 34 29 | -4/h4H,1-2H2,(H5,10,11,12,13,14) |
c76c0 | 00 00 45 03 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 68 04 77 61 72 6e 69 6e 67 73 | ..E...._id.V.$:+r.0...h.warnings |
c76e0 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 44 02 00 00 04 4d 50 32 44 00 39 02 | .......fingerprints.D....MP2D.9. |
c7700 | 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 31 | ...0.....1;1-1-1;2-1-8;..1.....1 |
c7720 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 32 00 1b 00 00 00 38 3b 31 2d 31 | ;1-1-1;1-1-8;2-1-3;..2.....8;1-1 |
c7740 | 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 1b 00 00 00 33 3b 31 | -1;1-1-3;2-1-1;2-2-3;..3.....3;1 |
c7760 | 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 15 00 00 00 33 | -2-3;1-1-8;2-1-1;2-2-3;..4.....3 |
c7780 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 32 | ;1-2-3;2-2-3;2-1-8;..5.....3;1-2 |
c77a0 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 36 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-2-3;2-1-19;..6."...3;1-2-3; |
c77c0 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 28 00 00 | 1-1-19;2-1-1;2-1-2;2-2-3;..7.(.. |
c77e0 | 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 | .3;1-1-2;1-2-3;2-1-1;2-1-2;2-2-3 |
c7800 | 3b 32 2d 31 2d 31 39 3b 00 02 38 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d | ;2-1-19;..8.....3;1-2-3;2-1-2;2- |
c7820 | 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | 2-3;2-1-8;..9.!...2;1-1-1;1-1-2; |
c7840 | 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 22 00 00 00 32 3b 31 2d 31 | 1-1-3;2-1-1;2-2-3;..10."...2;1-1 |
c7860 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 31 | -1;1-1-2;2-3-1;2-1-3;2-1-19;..11 |
c7880 | 00 22 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b | ."...1;1-2-1;1-1-2;1-1-19;2-1-2; |
c78a0 | 32 2d 31 2d 33 3b 00 02 31 32 00 22 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d | 2-1-3;..12."...19;1-1-1;1-1-3;2- |
c78c0 | 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 33 00 1c 00 00 00 31 3b 31 2d 31 2d 31 | 2-1;2-1-2;2-2-3;..13.....1;1-1-1 |
c78e0 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 31 34 00 1c 00 00 00 31 3b 31 | ;2-1-1;2-1-2;2-1-19;..14.....1;1 |
c7900 | 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 31 35 00 15 00 00 | -1-1;2-1-1;2-1-2;2-1-19;..15.... |
c7920 | 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 | .1;1-1-2;2-1-2;2-1-3;....smiles. |
c7940 | 1e 00 00 00 43 43 4f 63 31 63 63 63 32 63 28 63 31 29 43 28 3d 43 43 28 4e 32 29 28 43 29 43 29 | ....CCOc1ccc2c(c1)C(=CC(N2)(C)C) |
c7960 | 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 bd 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | C..updated_at...}FP....created_a |
c7980 | 74 00 c6 83 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t...}FP....default_fingerprint_s |
c79a0 | 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 53 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 | ize......inchi.S...InChI=1S/C14H |
c79c0 | 31 39 4e 4f 2f 63 31 2d 35 2d 31 36 2d 31 31 2d 36 2d 37 2d 31 33 2d 31 32 28 38 2d 31 31 29 31 | 19NO/c1-5-16-11-6-7-13-12(8-11)1 |
c79e0 | 30 28 32 29 39 2d 31 34 28 33 2c 34 29 31 35 2d 31 33 2f 68 36 2d 39 2c 31 35 48 2c 35 48 32 2c | 0(2)9-14(3,4)15-13/h6-9,15H,5H2, |
c7a00 | 31 2d 34 48 33 00 00 c0 03 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 69 04 77 61 72 | 1-4H3......._id.V.$:+r.0...i.war |
c7a20 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 9c 02 00 00 04 4d 50 | nings.......fingerprints......MP |
c7a40 | 32 44 00 91 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 00 | 2D......0.....1;1-1-1;2-2-1;..1. |
c7a60 | 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 35 3b 00 02 32 00 1b 00 00 00 | ....1;1-3-1;2-1-3;2-1-5;..2..... |
c7a80 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 1b 00 | 1;1-1-1;1-1-3;2-2-1;2-2-3;..3... |
c7aa0 | 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 | ..3;1-1-1;1-2-3;2-1-1;2-2-3;..4. |
c7ac0 | 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 15 00 00 00 | ....3;1-2-3;2-1-1;2-2-3;..5..... |
c7ae0 | 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 1b 00 00 00 33 3b 31 2d | 3;1-2-3;2-1-1;2-2-3;..6.....3;1- |
c7b00 | 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 15 00 00 00 33 3b | 1-1;1-2-3;2-3-1;2-2-3;..7.....3; |
c7b20 | 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d | 1-2-3;2-1-1;2-2-3;..8.....3;1-2- |
c7b40 | 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d | 3;2-1-1;2-2-3;..9.....1;1-3-1;1- |
c7b60 | 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 | 1-3;2-2-3;..10.....1;1-1-1;2-2-1 |
c7b80 | 3b 32 2d 31 2d 33 3b 00 02 31 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d | ;2-1-3;..11.....1;1-1-1;2-2-1;2- |
c7ba0 | 31 2d 33 3b 00 02 31 32 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 | 1-3;..12.....1;1-1-1;2-2-1;2-1-3 |
c7bc0 | 3b 00 02 31 33 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 34 2d 31 3b 00 02 | ;..13.....1;1-1-1;1-1-5;2-4-1;.. |
c7be0 | 31 34 00 0f 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 35 00 1b 00 00 00 31 3b | 14.....5;1-3-1;2-3-1;..15.....1; |
c7c00 | 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 36 00 1b 00 00 | 1-1-1;1-1-5;2-3-1;2-1-8;..16.... |
c7c20 | 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 37 00 | .1;1-2-1;1-1-8;2-1-1;2-1-5;..17. |
c7c40 | 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 38 00 0f 00 00 | ....1;1-1-1;2-1-1;2-1-8;..18.... |
c7c60 | 00 38 3b 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b 00 02 31 39 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b | .8;1-2-1;2-4-1;..19.....1;1-2-1; |
c7c80 | 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 32 30 00 1b 00 00 00 31 3b 31 2d 31 | 1-1-8;2-1-1;2-1-5;..20.....1;1-1 |
c7ca0 | 2d 31 3b 31 2d 31 2d 35 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 31 00 15 00 00 00 31 3b | -1;1-1-5;2-3-1;2-1-8;..21.....1; |
c7cc0 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 27 00 00 | 1-1-1;2-1-1;2-1-8;....smiles.'.. |
c7ce0 | 00 43 43 28 43 63 31 63 63 63 28 63 63 31 29 43 28 43 29 28 43 29 43 29 43 4e 31 43 43 28 43 29 | .CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C) |
c7d00 | 4f 43 28 43 31 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 c3 8b 7d 46 50 01 00 00 09 63 72 65 | OC(C1)C..updated_at...}FP....cre |
c7d20 | 61 74 65 64 5f 61 74 00 d0 83 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at...}FP....default_fingerp |
c7d40 | 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 6d 00 00 00 49 6e 43 68 49 3d 31 | rint_size......inchi.m...InChI=1 |
c7d60 | 53 2f 43 32 30 48 33 33 4e 4f 2f 63 31 2d 31 35 28 31 32 2d 32 31 2d 31 33 2d 31 36 28 32 29 32 | S/C20H33NO/c1-15(12-21-13-16(2)2 |
c7d80 | 32 2d 31 37 28 33 29 31 34 2d 32 31 29 31 31 2d 31 38 2d 37 2d 39 2d 31 39 28 31 30 2d 38 2d 31 | 2-17(3)14-21)11-18-7-9-19(10-8-1 |
c7da0 | 38 29 32 30 28 34 2c 35 29 36 2f 68 37 2d 31 30 2c 31 35 2d 31 37 48 2c 31 31 2d 31 34 48 32 2c | 8)20(4,5)6/h7-10,15-17H,11-14H2, |
c7dc0 | 31 2d 36 48 33 00 00 f6 03 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 6a 04 77 61 72 | 1-6H3......._id.V.$:+r.0...j.war |
c7de0 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 d5 02 00 00 04 4d 50 | nings.......fingerprints......MP |
c7e00 | 32 44 00 ca 02 00 00 02 30 00 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | 2D......0.....16;1-1-3;2-2-3;..1 |
c7e20 | 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 | .....3;1-2-3;1-1-16;2-2-3;..2... |
c7e40 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 33 00 16 00 00 00 33 | ..3;1-2-3;2-2-3;2-1-16;..3.....3 |
c7e60 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 37 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d | ;1-2-3;2-2-3;2-1-27;..4.....3;1- |
c7e80 | 32 2d 33 3b 31 2d 31 2d 32 37 3b 32 2d 32 2d 31 3b 32 2d 33 2d 33 3b 00 02 35 00 16 00 00 00 33 | 2-3;1-1-27;2-2-1;2-3-3;..5.....3 |
c7ea0 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 37 3b 00 02 36 00 16 00 00 00 33 3b 31 2d | ;1-2-3;2-2-3;2-1-27;..6.....3;1- |
c7ec0 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 37 00 1d 00 00 00 32 37 3b 31 2d 32 2d | 2-3;2-2-3;2-1-16;..7.....27;1-2- |
c7ee0 | 31 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 1c 00 00 00 33 3b 31 | 1;1-2-3;2-4-3;2-1-11;..8.....3;1 |
c7f00 | 2d 32 2d 33 3b 31 2d 31 2d 32 37 3b 32 2d 32 2d 31 3b 32 2d 33 2d 33 3b 00 02 39 00 16 00 00 00 | -2-3;1-1-27;2-2-1;2-3-3;..9..... |
c7f20 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 37 3b 00 02 31 30 00 16 00 00 00 33 3b | 3;1-2-3;2-2-3;2-1-27;..10.....3; |
c7f40 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d | 1-2-3;2-2-3;2-1-16;..11.....3;1- |
c7f60 | 32 2d 33 3b 31 2d 31 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 31 32 00 16 00 00 00 33 3b 31 2d 32 2d | 2-3;1-1-16;2-2-3;..12.....3;1-2- |
c7f80 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 31 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | 3;2-2-3;2-1-16;..13.....3;1-2-3; |
c7fa0 | 32 2d 32 2d 33 3b 32 2d 31 2d 32 37 3b 00 02 31 34 00 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b 32 | 2-2-3;2-1-27;..14.....16;1-1-3;2 |
c7fc0 | 2d 32 2d 33 3b 00 02 31 35 00 24 00 00 00 31 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 32 37 3b 32 2d | -2-3;..15.$...1;1-1-11;1-1-27;2- |
c7fe0 | 31 2d 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 36 00 2b 00 00 00 31 31 3b 31 2d 31 | 1-1;2-3-3;2-1-11;..16.+...11;1-1 |
c8000 | 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 | -1;1-1-3;1-1-11;2-1-3;2-1-11;2-1 |
c8020 | 2d 32 37 3b 00 02 31 37 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d | -27;..17.....3;1-2-11;2-1-1;2-1- |
c8040 | 33 3b 32 2d 31 2d 31 31 3b 00 02 31 38 00 11 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 | 3;2-1-11;..18.....11;1-2-3;2-2-1 |
c8060 | 31 3b 00 02 31 39 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 | 1;..19.....3;1-2-11;2-1-3;2-1-11 |
c8080 | 3b 00 02 32 30 00 24 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b | ;..20.$...11;1-1-3;1-1-11;2-1-1; |
c80a0 | 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 31 00 16 00 00 00 31 3b 31 2d 31 2d 32 37 3b 32 | 2-1-3;2-1-11;..21.....1;1-1-27;2 |
c80c0 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 28 00 00 00 46 63 31 63 63 63 | -1-1;2-2-3;....smiles.(...Fc1ccc |
c80e0 | 28 63 63 31 29 5b 53 69 5d 28 63 31 63 63 63 28 63 63 31 29 46 29 28 43 6e 31 63 6e 63 6e 31 29 | (cc1)[Si](c1ccc(cc1)F)(Cn1cncn1) |
c8100 | 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 c6 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | C..updated_at...}FP....created_a |
c8120 | 74 00 d8 83 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t...}FP....default_fingerprint_s |
c8140 | 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 69 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 36 48 | ize......inchi.i...InChI=1S/C16H |
c8160 | 31 35 46 32 4e 33 53 69 2f 63 31 2d 32 32 28 31 32 2d 32 31 2d 31 31 2d 31 39 2d 31 30 2d 32 30 | 15F2N3Si/c1-22(12-21-11-19-10-20 |
c8180 | 2d 32 31 2c 31 35 2d 36 2d 32 2d 31 33 28 31 37 29 33 2d 37 2d 31 35 29 31 36 2d 38 2d 34 2d 31 | -21,15-6-2-13(17)3-7-15)16-8-4-1 |
c81a0 | 34 28 31 38 29 35 2d 39 2d 31 36 2f 68 32 2d 31 31 48 2c 31 32 48 32 2c 31 48 33 00 00 77 04 00 | 4(18)5-9-16/h2-11H,12H2,1H3..w.. |
c81c0 | 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 6b 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V.$:+r.0...k.warnings..... |
c81e0 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 3e 03 00 00 04 4d 50 32 44 00 33 03 00 00 02 30 00 | ..fingerprints.>....MP2D.3....0. |
c8200 | 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d | ....1;1-1-1;2-1-8;..1.....1;1-1- |
c8220 | 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 32 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d | 1;1-1-8;2-1-3;..2.....8;1-1-1;1- |
c8240 | 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b | 1-3;2-1-1;2-2-3;..3.....3;1-2-3; |
c8260 | 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d | 1-1-8;2-1-1;2-2-3;..4.....3;1-2- |
c8280 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 3;2-2-3;2-1-8;..5.....3;1-2-3;2- |
c82a0 | 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b | 1-1;2-2-3;..6.....3;1-1-1;1-2-3; |
c82c0 | 32 2d 33 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 2-3-1;2-2-3;..7.....3;1-2-3;2-1- |
c82e0 | 31 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | 1;2-2-3;..8.....3;1-2-3;2-2-3;2- |
c8300 | 31 2d 38 3b 00 02 39 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b | 1-8;..9.....1;1-3-1;1-1-3;2-2-3; |
c8320 | 32 2d 31 2d 38 3b 00 02 31 30 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 | 2-1-8;..10.....1;1-1-1;1-1-8;2-3 |
c8340 | 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 31 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b | -1;2-1-3;..11.....8;1-2-1;2-1-1; |
c8360 | 32 2d 31 2d 33 3b 00 02 31 32 00 1b 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 | 2-1-3;..12.....1;1-1-3;1-1-8;2-1 |
c8380 | 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 33 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b | -1;2-2-3;..13.....3;1-1-1;1-2-3; |
c83a0 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | 2-2-3;2-1-8;..14.....3;1-2-3;2-1 |
c83c0 | 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | -1;2-2-3;..15.....3;1-2-3;2-2-3; |
c83e0 | 00 02 31 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 | ..16.....3;1-2-3;2-2-3;2-1-8;..1 |
c8400 | 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 31 38 00 1b | 7.....3;1-2-3;1-1-8;2-3-3;..18.. |
c8420 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 | ...3;1-2-3;2-1-1;2-2-3;2-1-8;..1 |
c8440 | 39 00 0f 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 32 30 00 15 00 00 00 33 3b 31 | 9.....8;1-2-3;2-4-3;..20.....3;1 |
c8460 | 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 32 31 00 15 00 00 00 33 3b 31 2d 32 2d | -2-3;1-1-8;2-3-3;..21.....3;1-2- |
c8480 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;2-2-3;2-1-8;..22.....3;1-2-3;2 |
c84a0 | 2d 32 2d 33 3b 00 02 32 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 34 | -2-3;..23.....3;1-2-3;2-2-3;..24 |
c84c0 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 35 00 15 00 00 00 33 3b 31 2d | .....3;1-2-3;2-2-3;..25.....3;1- |
c84e0 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 36 00 15 00 00 00 31 3b 31 2d 31 2d 31 | 2-3;2-2-3;2-1-8;..26.....1;1-1-1 |
c8500 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 37 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d | ;2-2-1;2-1-3;..27.....1;1-1-1;2- |
c8520 | 32 2d 31 3b 32 2d 31 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 2b 00 00 00 43 43 4f 63 31 63 63 | 2-1;2-1-3;....smiles.+...CCOc1cc |
c8540 | 63 28 63 63 31 29 43 28 43 4f 43 63 31 63 63 63 63 28 63 31 29 4f 63 31 63 63 63 63 63 31 29 28 | c(cc1)C(COCc1cccc(c1)Oc1ccccc1)( |
c8560 | 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 d4 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 | C)C..updated_at...}FP....created |
c8580 | 5f 61 74 00 f2 83 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...}FP....default_fingerprint |
c85a0 | 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 7e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 | _size......inchi.~...InChI=1S/C2 |
c85c0 | 35 48 32 38 4f 33 2f 63 31 2d 34 2d 32 37 2d 32 32 2d 31 35 2d 31 33 2d 32 31 28 31 34 2d 31 36 | 5H28O3/c1-4-27-22-15-13-21(14-16 |
c85e0 | 2d 32 32 29 32 35 28 32 2c 33 29 31 39 2d 32 36 2d 31 38 2d 32 30 2d 39 2d 38 2d 31 32 2d 32 34 | -22)25(2,3)19-26-18-20-9-8-12-24 |
c8600 | 28 31 37 2d 32 30 29 32 38 2d 32 33 2d 31 30 2d 36 2d 35 2d 37 2d 31 31 2d 32 33 2f 68 35 2d 31 | (17-20)28-23-10-6-5-7-11-23/h5-1 |
c8620 | 37 48 2c 34 2c 31 38 2d 31 39 48 32 2c 31 2d 33 48 33 00 00 04 04 00 00 07 5f 69 64 00 56 16 24 | 7H,4,18-19H2,1-3H3......._id.V.$ |
c8640 | 3a 2b 72 ed 30 fb 00 01 6c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | :+r.0...l.warnings.......fingerp |
c8660 | 72 69 6e 74 73 00 e2 02 00 00 04 4d 50 32 44 00 d7 02 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 | rints......MP2D......0.....1;1-1 |
c8680 | 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 | -1;2-1-1;2-1-8;..1.....1;1-2-1;1 |
c86a0 | 2d 31 2d 38 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 00 22 00 00 00 38 3b 31 2d 31 2d 31 | -1-8;2-1-3;2-1-8;..2."...8;1-1-1 |
c86c0 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 33 00 22 00 | ;1-1-3;2-2-1;2-1-3;2-1-11;..3.". |
c86e0 | 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 | ..3;1-1-3;1-1-8;1-1-11;2-1-1;2-2 |
c8700 | 2d 33 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 | -3;..4.....3;1-2-3;2-1-3;2-1-8;2 |
c8720 | 2d 31 2d 31 31 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 | -1-11;..5.....3;1-2-3;2-2-3;..6. |
c8740 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 37 00 16 00 00 | ....3;1-2-3;2-1-3;2-1-11;..7.... |
c8760 | 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 38 00 16 00 00 00 31 31 | .3;1-1-3;1-1-11;2-2-3;..8.....11 |
c8780 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 21 00 00 00 31 3b 31 2d 31 | ;1-2-3;2-2-3;2-1-8;..9.!...1;1-1 |
c87a0 | 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 30 00 | -1;1-1-8;2-1-1;2-1-3;2-1-8;..10. |
c87c0 | 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 | ....8;1-1-1;1-1-3;2-1-1;2-2-3;.. |
c87e0 | 31 31 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | 11.....3;1-2-3;1-1-8;2-1-1;2-2-3 |
c8800 | 3b 00 02 31 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 | ;..12.....3;1-2-3;2-2-3;2-1-8;.. |
c8820 | 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 34 00 | 13.....3;1-2-3;2-2-3;2-1-8;..14. |
c8840 | 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 31 35 00 15 00 00 | ....3;1-2-3;1-1-8;2-3-3;..15.... |
c8860 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 36 00 15 00 00 00 33 3b | .3;1-2-3;2-2-3;2-1-8;..16.....3; |
c8880 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 37 00 0f 00 00 00 38 3b 31 2d 32 | 1-2-3;2-2-3;2-1-8;..17.....8;1-2 |
c88a0 | 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b | -3;2-4-3;..18.....3;1-2-3;1-1-8; |
c88c0 | 32 2d 33 2d 33 3b 00 02 31 39 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | 2-3-3;..19.....3;1-2-3;2-2-3;2-1 |
c88e0 | 2d 38 3b 00 02 32 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 31 00 0f | -8;..20.....3;1-2-3;2-2-3;..21.. |
c8900 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 32 00 0f 00 00 00 33 3b 31 2d 32 2d | ...3;1-2-3;2-2-3;..22.....3;1-2- |
c8920 | 33 3b 32 2d 32 2d 33 3b 00 02 32 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 3;2-2-3;..23.....3;1-2-3;2-2-3;2 |
c8940 | 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 23 00 00 00 43 43 28 4f 63 31 63 63 63 63 6e 31 | -1-8;....smiles.#...CC(Oc1ccccn1 |
c8960 | 29 43 4f 63 31 63 63 63 28 63 63 31 29 4f 63 31 63 63 63 63 63 31 00 09 75 70 64 61 74 65 64 5f | )COc1ccc(cc1)Oc1ccccc1..updated_ |
c8980 | 61 74 00 d9 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 fd 83 7d 46 50 01 00 00 10 | at...}FP....created_at...}FP.... |
c89a0 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e | default_fingerprint_size......in |
c89c0 | 63 68 69 00 6f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 30 48 31 39 4e 4f 33 2f 63 31 2d 31 36 | chi.o...InChI=1S/C20H19NO3/c1-16 |
c89e0 | 28 32 33 2d 32 30 2d 39 2d 35 2d 36 2d 31 34 2d 32 31 2d 32 30 29 31 35 2d 32 32 2d 31 37 2d 31 | (23-20-9-5-6-14-21-20)15-22-17-1 |
c8a00 | 30 2d 31 32 2d 31 39 28 31 33 2d 31 31 2d 31 37 29 32 34 2d 31 38 2d 37 2d 33 2d 32 2d 34 2d 38 | 0-12-19(13-11-17)24-18-7-3-2-4-8 |
c8a20 | 2d 31 38 2f 68 32 2d 31 34 2c 31 36 48 2c 31 35 48 32 2c 31 48 33 00 00 da 03 00 00 07 5f 69 64 | -18/h2-14,16H,15H2,1H3......._id |
c8a40 | 00 56 16 24 3a 2b 72 ed 30 fb 00 01 6d 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V.$:+r.0...m.warnings.......fin |
c8a60 | 67 65 72 70 72 69 6e 74 73 00 c5 02 00 00 04 4d 50 32 44 00 ba 02 00 00 02 30 00 10 00 00 00 39 | gerprints......MP2D......0.....9 |
c8a80 | 3b 31 2d 31 2d 32 39 3b 32 2d 32 2d 38 3b 00 02 31 00 16 00 00 00 32 39 3b 31 2d 32 2d 38 3b 31 | ;1-1-29;2-2-8;..1.....29;1-2-8;1 |
c8aa0 | 2d 31 2d 39 3b 32 2d 32 2d 31 3b 00 02 32 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | -1-9;2-2-1;..2."...8;1-1-1;1-1-2 |
c8ac0 | 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 33 00 1c 00 00 00 31 3b 31 2d | 9;2-1-1;2-1-8;2-1-9;..3.....1;1- |
c8ae0 | 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 39 3b 00 02 34 00 22 00 00 00 31 | 1-1;1-1-8;2-2-1;2-1-29;..4."...1 |
c8b00 | 3b 31 2d 33 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 35 3b | ;1-3-1;2-3-1;2-1-2;2-1-8;2-1-15; |
c8b20 | 00 02 35 00 22 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d | ..5."...1;1-3-1;2-3-1;2-1-2;2-1- |
c8b40 | 38 3b 32 2d 31 2d 31 35 3b 00 02 36 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 | 8;2-1-15;..6.....1;1-1-1;1-1-8;2 |
c8b60 | 2d 32 2d 31 3b 32 2d 31 2d 32 39 3b 00 02 37 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -2-1;2-1-29;..7."...8;1-1-1;1-1- |
c8b80 | 32 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 38 00 29 00 00 00 31 3b 31 | 29;2-1-1;2-1-8;2-1-9;..8.)...1;1 |
c8ba0 | 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d | -2-1;1-1-2;1-1-15;2-3-1;2-1-2;2- |
c8bc0 | 33 2d 31 35 3b 00 02 39 00 23 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 32 2d 31 35 3b 32 2d 32 2d | 3-15;..9.#...1;1-2-1;1-2-15;2-2- |
c8be0 | 31 3b 32 2d 32 2d 32 3b 32 2d 32 2d 31 35 3b 00 02 31 30 00 29 00 00 00 31 3b 31 2d 32 2d 31 3b | 1;2-2-2;2-2-15;..10.)...1;1-2-1; |
c8c00 | 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 33 2d 31 35 3b | 1-1-2;1-1-15;2-3-1;2-1-2;2-3-15; |
c8c20 | 00 02 31 31 00 16 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 | ..11.....15;1-1-1;2-2-1;2-1-2;.. |
c8c40 | 31 32 00 23 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 33 2d | 12.#...2;1-1-1;1-1-2;1-1-15;2-3- |
c8c60 | 31 3b 32 2d 32 2d 31 35 3b 00 02 31 33 00 23 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | 1;2-2-15;..13.#...2;1-1-1;1-1-2; |
c8c80 | 31 2d 31 2d 31 35 3b 32 2d 33 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 31 34 00 16 00 00 00 31 35 3b | 1-1-15;2-3-1;2-2-15;..14.....15; |
c8ca0 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 35 00 16 00 00 00 31 35 3b 31 2d | 1-1-2;2-1-1;2-1-2;..15.....15;1- |
c8cc0 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 36 00 17 00 00 00 31 35 3b 31 2d 31 2d | 1-2;2-1-1;2-1-2;..16.....15;1-1- |
c8ce0 | 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 31 37 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 | 1;2-2-1;2-1-15;..17.....15;1-1-1 |
c8d00 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 31 38 00 16 00 00 00 31 35 3b 31 2d 31 2d 31 3b | ;2-2-1;2-1-15;..18.....15;1-1-1; |
c8d20 | 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 2e 00 00 00 4f 3d 53 31 4f | 2-2-1;2-1-2;....smiles.....O=S1O |
c8d40 | 43 43 32 43 28 43 4f 31 29 43 31 28 43 28 43 32 28 43 6c 29 43 28 3d 43 31 43 6c 29 43 6c 29 28 | CC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)( |
c8d60 | 43 6c 29 43 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 ef 8b 7d 46 50 01 00 00 09 63 72 | Cl)Cl)Cl..updated_at...}FP....cr |
c8d80 | 65 61 74 65 64 5f 61 74 00 35 84 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at.5.}FP....default_finger |
c8da0 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 57 00 00 00 49 6e 43 68 49 3d | print_size......inchi.W...InChI= |
c8dc0 | 31 53 2f 43 39 48 36 43 6c 36 4f 33 53 2f 63 31 30 2d 35 2d 36 28 31 31 29 38 28 31 33 29 34 2d | 1S/C9H6Cl6O3S/c10-5-6(11)8(13)4- |
c8de0 | 32 2d 31 38 2d 31 39 28 31 36 29 31 37 2d 31 2d 33 28 34 29 37 28 35 2c 31 32 29 39 28 38 2c 31 | 2-18-19(16)17-1-3(4)7(5,12)9(8,1 |
c8e00 | 34 29 31 35 2f 68 33 2d 34 48 2c 31 2d 32 48 32 00 00 50 04 00 00 07 5f 69 64 00 56 16 24 3a 2b | 4)15/h3-4H,1-2H2..P...._id.V.$:+ |
c8e20 | 72 ed 30 fb 00 01 6e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.0...n.warnings.......fingerpri |
c8e40 | 6e 74 73 00 24 03 00 00 04 4d 50 32 44 00 19 03 00 00 02 30 00 17 00 00 00 33 32 3b 31 2d 31 2d | nts.$....MP2D......0.....32;1-1- |
c8e60 | 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 31 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 | 2;2-1-1;2-1-32;..1.....2;1-1-1;1 |
c8e80 | 2d 32 2d 33 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 00 17 00 00 00 33 32 3b 31 2d 31 | -2-32;2-1-1;2-1-8;..2.....32;1-1 |
c8ea0 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 33 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b | -2;2-1-1;2-1-32;..3."...1;1-1-1; |
c8ec0 | 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 32 2d 32 2d 33 32 3b 00 02 34 00 21 00 00 | 1-1-2;1-1-8;2-1-3;2-2-32;..4.!.. |
c8ee0 | 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 | .8;1-1-1;1-1-3;2-1-1;2-1-2;2-2-3 |
c8f00 | 3b 00 02 35 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 | ;..5.....3;1-2-3;1-1-8;2-1-1;2-2 |
c8f20 | 2d 33 3b 00 02 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 | -3;..6.....3;1-2-3;2-2-3;2-1-8;. |
c8f40 | 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 15 | .7.....3;1-2-3;2-2-3;2-1-8;..8.. |
c8f60 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 39 00 15 00 00 00 33 | ...3;1-2-3;1-1-8;2-3-3;..9.....3 |
c8f80 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d | ;1-2-3;2-2-3;2-1-8;..10.....3;1- |
c8fa0 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 31 00 16 00 00 00 38 3b 31 2d 32 2d 33 | 2-3;2-2-3;2-1-8;..11.....8;1-2-3 |
c8fc0 | 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 32 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 | ;2-3-3;2-1-11;..12.#...3;1-1-3;1 |
c8fe0 | 2d 31 2d 38 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 33 00 16 00 | -1-8;1-1-11;2-3-3;2-1-15;..13... |
c9000 | 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 34 00 1c 00 00 00 | ..11;1-2-3;2-2-3;2-1-8;..14..... |
c9020 | 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 35 00 | 3;1-1-3;1-1-11;2-1-1;2-2-3;..15. |
c9040 | 23 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 | #...3;1-1-1;1-2-3;2-1-3;2-1-11;2 |
c9060 | 2d 33 2d 31 36 3b 00 02 31 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 | -3-16;..16.....3;1-2-3;2-1-1;2-2 |
c9080 | 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 37 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | -3;2-1-15;..17.#...3;1-2-3;1-1-1 |
c90a0 | 35 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 31 38 00 10 00 00 00 31 35 | 5;2-1-3;2-1-8;2-1-11;..18.....15 |
c90c0 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 39 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d | ;1-1-3;2-2-3;..19.....1;1-1-3;1- |
c90e0 | 33 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 32 30 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 | 3-16;2-2-3;..20.....16;1-1-1;2-1 |
c9100 | 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 32 31 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d | -3;2-2-16;..21.....16;1-1-1;2-1- |
c9120 | 33 3b 32 2d 32 2d 31 36 3b 00 02 32 32 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 | 3;2-2-16;..22.....16;1-1-1;2-1-3 |
c9140 | 3b 32 2d 32 2d 31 36 3b 00 02 32 33 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 | ;2-2-16;..23.....1;1-1-1;2-1-2;2 |
c9160 | 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 2b 00 00 00 4f 43 28 3d 4f 29 43 28 4f 63 31 63 | -1-8;....smiles.+...OC(=O)C(Oc1c |
c9180 | 63 63 28 63 63 31 29 4f 63 31 6e 63 63 28 63 63 31 43 6c 29 43 28 46 29 28 46 29 46 29 43 00 09 | cc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C.. |
c91a0 | 75 70 64 61 74 65 64 5f 61 74 00 f2 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 40 | updated_at...}FP....created_at.@ |
c91c0 | 84 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | .}FP....default_fingerprint_size |
c91e0 | 00 00 00 00 00 02 69 6e 63 68 69 00 71 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 31 31 43 | ......inchi.q...InChI=1S/C15H11C |
c9200 | 6c 46 33 4e 4f 34 2f 63 31 2d 38 28 31 34 28 32 31 29 32 32 29 32 33 2d 31 30 2d 32 2d 34 2d 31 | lF3NO4/c1-8(14(21)22)23-10-2-4-1 |
c9220 | 31 28 35 2d 33 2d 31 30 29 32 34 2d 31 33 2d 31 32 28 31 36 29 36 2d 39 28 37 2d 32 30 2d 31 33 | 1(5-3-10)24-13-12(16)6-9(7-20-13 |
c9240 | 29 31 35 28 31 37 2c 31 38 29 31 39 2f 68 32 2d 38 48 2c 31 48 33 2c 28 48 2c 32 31 2c 32 32 29 | )15(17,18)19/h2-8H,1H3,(H,21,22) |
c9260 | 00 00 b1 03 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 6f 04 77 61 72 6e 69 6e 67 73 | ......._id.V.$:+r.0...o.warnings |
c9280 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 9e 02 00 00 04 4d 50 32 44 00 93 02 | .......fingerprints......MP2D... |
c92a0 | 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 16 00 00 00 31 | ...0.....1;1-1-1;2-1-8;..1.....1 |
c92c0 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 32 00 22 00 00 00 38 3b 31 2d | ;1-1-1;1-1-8;2-1-12;..2."...8;1- |
c92e0 | 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 33 | 1-1;1-1-12;2-1-1;2-1-8;2-2-9;..3 |
c9300 | 00 1c 00 00 00 31 32 3b 31 2d 32 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b | .....12;1-2-8;1-2-9;2-2-1;2-1-2; |
c9320 | 00 02 34 00 16 00 00 00 39 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 | ..4.....9;1-1-12;2-2-8;2-1-9;..5 |
c9340 | 00 28 00 00 00 39 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b | .(...9;1-1-2;1-1-12;2-1-2;2-1-3; |
c9360 | 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 36 00 29 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d | 2-2-8;2-1-9;..6.)...2;1-1-2;1-1- |
c9380 | 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 32 3b 32 2d 31 2d 31 35 3b 00 02 37 00 | 3;1-1-9;2-2-3;2-1-12;2-1-15;..7. |
c93a0 | 1c 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 | ....2;1-1-2;1-1-15;2-1-3;2-1-9;. |
c93c0 | 02 38 00 10 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 02 39 00 28 00 00 00 33 3b | .8.....15;1-1-2;2-1-2;..9.(...3; |
c93e0 | 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d | 1-1-2;1-2-3;2-1-2;2-2-3;2-1-9;2- |
c9400 | 31 2d 31 35 3b 00 02 31 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d | 1-15;..10.....3;1-2-3;2-1-2;2-2- |
c9420 | 33 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b | 3;..11.....3;1-2-3;2-2-3;2-1-15; |
c9440 | 00 02 31 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 | ..12.....3;1-2-3;1-1-15;2-2-3;.. |
c9460 | 31 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 31 34 | 13.....3;1-2-3;2-2-3;2-2-15;..14 |
c9480 | 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b | .....3;1-2-3;1-1-15;2-1-2;2-2-3; |
c94a0 | 00 02 31 35 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 10 00 00 | ..15.....15;1-1-3;2-2-3;..16.... |
c94c0 | 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 37 00 22 00 00 00 38 3b 31 2d 31 2d 31 | .15;1-1-3;2-2-3;..17."...8;1-1-1 |
c94e0 | 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 31 38 00 16 | ;1-1-12;2-1-1;2-1-8;2-2-9;..18.. |
c9500 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 39 00 0f 00 00 | ...1;1-1-1;1-1-8;2-1-12;..19.... |
c9520 | 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 24 00 00 00 43 43 | .1;1-1-1;2-1-8;....smiles.$...CC |
c9540 | 4f 50 28 3d 4f 29 28 4f 43 28 3d 43 43 6c 29 63 31 63 63 63 28 63 63 31 43 6c 29 43 6c 29 4f 43 | OP(=O)(OC(=CCl)c1ccc(cc1Cl)Cl)OC |
c9560 | 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 fc 8b 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | C..updated_at...}FP....created_a |
c9580 | 74 00 52 84 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t.R.}FP....default_fingerprint_s |
c95a0 | 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 5f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 | ize......inchi._...InChI=1S/C12H |
c95c0 | 31 34 43 6c 33 4f 34 50 2f 63 31 2d 33 2d 31 37 2d 32 30 28 31 36 2c 31 38 2d 34 2d 32 29 31 39 | 14Cl3O4P/c1-3-17-20(16,18-4-2)19 |
c95e0 | 2d 31 32 28 38 2d 31 33 29 31 30 2d 36 2d 35 2d 39 28 31 34 29 37 2d 31 31 28 31 30 29 31 35 2f | -12(8-13)10-6-5-9(14)7-11(10)15/ |
c9600 | 68 35 2d 38 48 2c 33 2d 34 48 32 2c 31 2d 32 48 33 00 00 99 02 00 00 07 5f 69 64 00 56 16 24 3a | h5-8H,3-4H2,1-2H3......._id.V.$: |
c9620 | 2b 72 ed 30 fb 00 01 70 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.0...p.warnings.......fingerpr |
c9640 | 69 6e 74 73 00 b6 01 00 00 04 4d 50 32 44 00 ab 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d | ints......MP2D......0.....1;1-1- |
c9660 | 31 3b 32 2d 31 2d 31 3b 00 02 31 00 10 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 30 3b 00 | 1;2-1-1;..1.....1;1-2-1;2-1-10;. |
c9680 | 02 32 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d | .2.....1;1-1-1;1-1-10;2-1-1;2-1- |
c96a0 | 31 32 3b 00 02 33 00 2a 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 | 12;..3.*...10;1-1-1;1-1-12;2-1-1 |
c96c0 | 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 30 3b 00 02 34 00 1d 00 00 00 31 32 3b 31 | ;2-1-8;2-1-9;2-1-10;..4.....12;1 |
c96e0 | 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 32 2d 31 30 3b 32 2d 33 2d 31 3b 00 02 35 00 17 00 00 00 | -1-8;1-1-9;1-2-10;2-3-1;..5..... |
c9700 | 39 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 30 3b 00 02 36 00 2a 00 00 00 31 30 | 9;1-1-12;2-1-8;2-2-10;..6.*...10 |
c9720 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b | ;1-1-1;1-1-12;2-1-1;2-1-8;2-1-9; |
c9740 | 32 2d 31 2d 31 30 3b 00 02 37 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d | 2-1-10;..7.....1;1-1-1;1-1-10;2- |
c9760 | 31 2d 31 3b 32 2d 31 2d 31 32 3b 00 02 38 00 10 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 | 1-1;2-1-12;..8.....1;1-2-1;2-1-1 |
c9780 | 30 3b 00 02 39 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 30 00 23 00 00 | 0;..9.....1;1-1-1;2-1-1;..10.#.. |
c97a0 | 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 32 2d | .8;1-1-1;1-1-12;2-1-1;2-1-9;2-2- |
c97c0 | 31 30 3b 00 02 31 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 | 10;..11.....1;1-1-1;1-1-8;2-1-12 |
c97e0 | 3b 00 02 31 32 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c | ;..12.....1;1-1-1;2-1-8;....smil |
c9800 | 65 73 00 13 00 00 00 43 43 43 53 50 28 3d 4f 29 28 53 43 43 43 29 4f 43 43 00 09 75 70 64 61 74 | es.....CCCSP(=O)(SCCC)OCC..updat |
c9820 | 65 64 5f 61 74 00 02 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 5e 84 7d 46 50 01 | ed_at...}FP....created_at.^.}FP. |
c9840 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 | ...default_fingerprint_size..... |
c9860 | 02 69 6e 63 68 69 00 40 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 31 39 4f 32 50 53 32 2f 63 | .inchi.@...InChI=1S/C8H19O2PS2/c |
c9880 | 31 2d 34 2d 37 2d 31 32 2d 31 31 28 39 2c 31 30 2d 36 2d 33 29 31 33 2d 38 2d 35 2d 32 2f 68 34 | 1-4-7-12-11(9,10-6-3)13-8-5-2/h4 |
c98a0 | 2d 38 48 32 2c 31 2d 33 48 33 00 00 73 02 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 | -8H2,1-3H3..s...._id.V.$:+r.0... |
c98c0 | 71 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 81 01 | q.warnings.......fingerprints... |
c98e0 | 00 00 04 4d 50 32 44 00 76 01 00 00 02 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d | ...MP2D.v....0.....32;1-1-2;2-1- |
c9900 | 31 3b 32 2d 31 2d 33 32 3b 00 02 31 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b | 1;2-1-32;..1.....2;1-1-1;1-2-32; |
c9920 | 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 32 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 | 2-1-1;2-1-5;..2.....32;1-1-2;2-1 |
c9940 | 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 33 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | -1;2-1-32;..3."...1;1-1-1;1-1-2; |
c9960 | 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 32 3b 00 02 34 00 1c 00 00 00 31 3b 31 2d 32 | 1-1-5;2-1-1;2-2-32;..4.....1;1-2 |
c9980 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 35 3b 32 2d 31 2d 31 32 3b 00 02 35 00 22 00 00 00 31 3b | -1;2-1-2;2-1-5;2-1-12;..5."...1; |
c99a0 | 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 | 1-1-1;1-1-12;2-2-1;2-1-8;2-1-9;. |
c99c0 | 02 36 00 1c 00 00 00 31 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d | .6.....12;1-2-1;1-1-8;1-1-9;2-1- |
c99e0 | 31 3b 00 02 37 00 16 00 00 00 39 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 | 1;..7.....9;1-1-12;2-2-1;2-1-8;. |
c9a00 | 02 38 00 16 00 00 00 38 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 39 00 | .8.....8;1-1-12;2-2-1;2-1-9;..9. |
c9a20 | 1c 00 00 00 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 | ....1;1-1-12;2-1-1;2-1-8;2-1-9;. |
c9a40 | 02 31 30 00 15 00 00 00 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 02 | .10.....5;1-1-1;2-1-1;2-1-2;.... |
c9a60 | 73 6d 69 6c 65 73 00 16 00 00 00 4f 43 28 3d 4f 29 43 28 43 43 50 28 3d 4f 29 28 4f 29 43 29 4e | smiles.....OC(=O)C(CCP(=O)(O)C)N |
c9a80 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 09 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at...}FP....created_at |
c9aa0 | 00 6b 84 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | .k.}FP....default_fingerprint_si |
c9ac0 | 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 4c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 31 32 | ze......inchi.L...InChI=1S/C5H12 |
c9ae0 | 4e 4f 34 50 2f 63 31 2d 31 31 28 39 2c 31 30 29 33 2d 32 2d 34 28 36 29 35 28 37 29 38 2f 68 34 | NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4 |
c9b00 | 48 2c 32 2d 33 2c 36 48 32 2c 31 48 33 2c 28 48 2c 37 2c 38 29 28 48 2c 39 2c 31 30 29 00 00 c2 | H,2-3,6H2,1H3,(H,7,8)(H,9,10)... |
c9b20 | 02 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 72 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V.$:+r.0...r.warnings... |
c9b40 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 da 01 00 00 04 4d 50 32 44 00 cf 01 00 00 02 | ....fingerprints......MP2D...... |
c9b60 | 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 31 00 1b 00 00 00 38 3b 31 2d | 0.....1;1-1-8;2-1-2;..1.....8;1- |
c9b80 | 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 32 00 21 00 00 00 32 3b | 1-1;1-1-2;2-1-2;2-1-9;..2.!...2; |
c9ba0 | 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 | 1-1-2;1-1-8;1-1-9;2-1-1;2-1-2;.. |
c9bc0 | 33 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 34 00 1b 00 | 3.....9;1-1-2;2-1-2;2-1-8;..4... |
c9be0 | 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 35 00 | ..2;1-2-2;2-1-1;2-1-8;2-2-9;..5. |
c9c00 | 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d | "...2;1-1-1;1-1-2;1-1-9;2-1-2;2- |
c9c20 | 31 2d 31 32 3b 00 02 36 00 28 00 00 00 39 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d | 1-12;..6.(...9;1-1-2;1-1-12;2-1- |
c9c40 | 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 37 00 1c 00 00 00 31 32 3b 31 | 1;2-1-2;2-2-8;2-1-9;..7.....12;1 |
c9c60 | 2d 32 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 38 00 16 00 00 00 39 | -2-8;1-2-9;2-2-1;2-1-2;..8.....9 |
c9c80 | 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 39 00 1c 00 00 00 38 3b 31 2d | ;1-1-12;2-2-8;2-1-9;..9.....8;1- |
c9ca0 | 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 31 30 00 10 00 00 00 | 1-1;1-1-12;2-1-8;2-2-9;..10..... |
c9cc0 | 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 31 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b | 1;1-1-8;2-1-12;..11.....8;1-1-1; |
c9ce0 | 31 2d 31 2d 31 32 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 31 32 00 10 00 00 00 31 3b 31 2d | 1-1-12;2-1-8;2-2-9;..12.....1;1- |
c9d00 | 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 33 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d | 1-8;2-1-12;..13.....1;1-1-2;2-1- |
c9d20 | 32 3b 32 2d 31 2d 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 1a 00 00 00 43 4f 43 28 3d 4f 29 43 3d | 2;2-1-9;....smiles.....COC(=O)C= |
c9d40 | 43 28 4f 50 28 3d 4f 29 28 4f 43 29 4f 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 12 8c 7d | C(OP(=O)(OC)OC)C..updated_at...} |
c9d60 | 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 7a 84 7d 46 50 01 00 00 10 64 65 66 61 75 6c | FP....created_at.z.}FP....defaul |
c9d80 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 3e 00 | t_fingerprint_size......inchi.>. |
c9da0 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 31 33 4f 36 50 2f 63 31 2d 36 28 35 2d 37 28 38 29 31 | ..InChI=1S/C7H13O6P/c1-6(5-7(8)1 |
c9dc0 | 30 2d 32 29 31 33 2d 31 34 28 39 2c 31 31 2d 33 29 31 32 2d 34 2f 68 35 48 2c 31 2d 34 48 33 00 | 0-2)13-14(9,11-3)12-4/h5H,1-4H3. |
c9de0 | 00 9e 02 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 73 04 77 61 72 6e 69 6e 67 73 00 | ......_id.V.$:+r.0...s.warnings. |
c9e00 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 bb 01 00 00 04 4d 50 32 44 00 b0 01 00 | ......fingerprints......MP2D.... |
c9e20 | 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 31 00 16 00 00 00 31 | ..0.....1;1-1-1;2-1-10;..1.....1 |
c9e40 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 00 02 32 00 17 00 00 00 31 30 3b 31 | ;1-1-1;1-1-10;2-1-1;..2.....10;1 |
c9e60 | 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 33 00 17 00 00 00 31 3b 31 2d 32 2d | -2-1;2-1-1;2-1-10;..3.....1;1-2- |
c9e80 | 31 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 32 3b 00 02 34 00 25 00 00 00 31 30 3b 31 2d 31 2d 31 | 10;2-1-1;2-1-12;..4.%...10;1-1-1 |
c9ea0 | 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 35 00 | ;1-1-12;2-2-8;2-1-10;2-1-18;..5. |
c9ec0 | 1e 00 00 00 31 32 3b 31 2d 32 2d 38 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 31 38 3b 32 2d 33 2d 31 | ....12;1-2-8;1-1-10;1-1-18;2-3-1 |
c9ee0 | 3b 00 02 36 00 18 00 00 00 31 38 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 30 3b | ;..6.....18;1-1-12;2-2-8;2-1-10; |
c9f00 | 00 02 37 00 2a 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 31 | ..7.*...8;1-1-1;1-1-12;2-1-1;2-1 |
c9f20 | 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 38 00 16 00 00 00 31 3b 31 2d 31 2d 31 | -8;2-1-10;2-1-18;..8.....1;1-1-1 |
c9f40 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 39 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d | ;1-1-8;2-1-12;..9.....1;1-1-1;2- |
c9f60 | 31 2d 38 3b 00 02 31 30 00 2a 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d | 1-8;..10.*...8;1-1-1;1-1-12;2-1- |
c9f80 | 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 31 31 00 16 00 00 00 31 | 1;2-1-8;2-1-10;2-1-18;..11.....1 |
c9fa0 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 32 00 0f 00 00 00 31 3b 31 | ;1-1-1;1-1-8;2-1-12;..12.....1;1 |
c9fc0 | 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 13 00 00 00 43 43 53 43 53 50 | -1-1;2-1-8;....smiles.....CCSCSP |
c9fe0 | 28 3d 53 29 28 4f 43 43 29 4f 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 14 8c 7d 46 50 01 00 | (=S)(OCC)OCC..updated_at...}FP.. |
ca000 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 80 84 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at...}FP....default_fi |
ca020 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 40 00 00 00 49 6e | ngerprint_size......inchi.@...In |
ca040 | 43 68 49 3d 31 53 2f 43 37 48 31 37 4f 32 50 53 33 2f 63 31 2d 34 2d 38 2d 31 30 28 31 31 2c 39 | ChI=1S/C7H17O2PS3/c1-4-8-10(11,9 |
ca060 | 2d 35 2d 32 29 31 33 2d 37 2d 31 32 2d 36 2d 33 2f 68 34 2d 37 48 32 2c 31 2d 33 48 33 00 00 74 | -5-2)13-7-12-6-3/h4-7H2,1-3H3..t |
ca080 | 03 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 74 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V.$:+r.0...t.warnings... |
ca0a0 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 70 02 00 00 04 4d 50 32 44 00 65 02 00 00 02 | ....fingerprints.p....MP2D.e.... |
ca0c0 | 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 31 3b 31 2d | 0.....1;1-1-1;2-1-8;..1.....1;1- |
ca0e0 | 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 32 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b | 1-1;1-1-8;2-1-3;..2."...8;1-1-1; |
ca100 | 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 33 00 22 00 00 | 1-1-3;2-1-1;2-1-3;2-1-11;..3.".. |
ca120 | 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d | .3;1-1-3;1-1-8;1-1-11;2-1-1;2-2- |
ca140 | 33 3b 00 02 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 38 3b 32 2d 32 2d 31 31 3b 00 | 3;..4.....3;1-2-3;2-2-8;2-2-11;. |
ca160 | 02 35 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d | .5.#...3;1-1-3;1-1-8;1-1-11;2-2- |
ca180 | 33 3b 32 2d 31 2d 31 32 3b 00 02 36 00 23 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b | 3;2-1-12;..6.#...11;1-2-3;2-1-1; |
ca1a0 | 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 31 | 2-1-3;2-1-8;2-1-11;..7.....3;1-1 |
ca1c0 | 2d 31 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 00 23 00 00 00 31 31 | -1;1-2-11;2-1-1;2-2-3;..8.#...11 |
ca1e0 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b | ;1-2-3;2-1-1;2-1-3;2-1-8;2-1-11; |
ca200 | 00 02 39 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 | ..9.....1;1-1-1;1-1-3;2-2-11;..1 |
ca220 | 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 31 00 2a 00 00 00 38 3b 31 | 0.....1;1-1-1;2-1-3;..11.*...8;1 |
ca240 | 2d 31 2d 33 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 33 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 31 3b 32 | -1-3;1-1-12;2-1-3;2-2-8;2-1-11;2 |
ca260 | 2d 31 2d 31 38 3b 00 02 31 32 00 1d 00 00 00 31 32 3b 31 2d 33 2d 38 3b 31 2d 31 2d 31 38 3b 32 | -1-18;..12.....12;1-3-8;1-1-18;2 |
ca280 | 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 33 00 11 00 00 00 31 38 3b 31 2d 31 2d 31 32 3b 32 2d | -2-1;2-1-3;..13.....18;1-1-12;2- |
ca2a0 | 33 2d 38 3b 00 02 31 34 00 1d 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d | 3-8;..14.....8;1-1-1;1-1-12;2-2- |
ca2c0 | 38 3b 32 2d 31 2d 31 38 3b 00 02 31 35 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 | 8;2-1-18;..15.....1;1-1-8;2-1-12 |
ca2e0 | 3b 00 02 31 36 00 1d 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 | ;..16.....8;1-1-1;1-1-12;2-2-8;2 |
ca300 | 2d 31 2d 31 38 3b 00 02 31 37 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 00 | -1-18;..17.....1;1-1-8;2-1-12;.. |
ca320 | 00 02 73 6d 69 6c 65 73 00 1e 00 00 00 43 43 4f 63 31 63 63 28 6e 63 28 6e 31 29 43 43 29 4f 50 | ..smiles.....CCOc1cc(nc(n1)CC)OP |
ca340 | 28 3d 53 29 28 4f 43 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 20 8c 7d 46 50 01 00 00 09 | (=S)(OC)OC..updated_at...}FP.... |
ca360 | 63 72 65 61 74 65 64 5f 61 74 00 94 84 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at...}FP....default_fing |
ca380 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 56 00 00 00 49 6e 43 68 | erprint_size......inchi.V...InCh |
ca3a0 | 49 3d 31 53 2f 43 31 30 48 31 37 4e 32 4f 34 50 53 2f 63 31 2d 35 2d 38 2d 31 31 2d 39 28 31 35 | I=1S/C10H17N2O4PS/c1-5-8-11-9(15 |
ca3c0 | 2d 36 2d 32 29 37 2d 31 30 28 31 32 2d 38 29 31 36 2d 31 37 28 31 38 2c 31 33 2d 33 29 31 34 2d | -6-2)7-10(12-8)16-17(18,13-3)14- |
ca3e0 | 34 2f 68 37 48 2c 35 2d 36 48 32 2c 31 2d 34 48 33 00 00 00 04 00 00 07 5f 69 64 00 56 16 24 3a | 4/h7H,5-6H2,1-4H3......._id.V.$: |
ca400 | 2b 72 ed 30 fb 00 01 75 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.0...u.warnings.......fingerpr |
ca420 | 69 6e 74 73 00 e2 02 00 00 04 4d 50 32 44 00 d7 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d | ints......MP2D......0.....1;1-1- |
ca440 | 31 3b 32 2d 31 2d 38 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d | 1;2-1-8;..1.....1;1-1-1;1-1-8;2- |
ca460 | 31 2d 31 32 3b 00 02 32 00 2a 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d | 1-12;..2.*...8;1-1-1;1-1-12;2-1- |
ca480 | 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 33 00 1e 00 00 00 31 32 | 1;2-1-8;2-1-10;2-1-18;..3.....12 |
ca4a0 | 3b 31 2d 32 2d 38 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 31 38 3b 32 2d 33 2d 31 3b 00 02 34 00 18 | ;1-2-8;1-1-10;1-1-18;2-3-1;..4.. |
ca4c0 | 00 00 00 31 38 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 30 3b 00 02 35 00 25 00 | ...18;1-1-12;2-2-8;2-1-10;..5.%. |
ca4e0 | 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 31 3b 32 | ..10;1-1-1;1-1-12;2-2-8;2-1-11;2 |
ca500 | 2d 31 2d 31 38 3b 00 02 36 00 1e 00 00 00 31 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 31 31 3b 32 2d | -1-18;..6.....1;1-1-10;1-1-11;2- |
ca520 | 32 2d 33 3b 32 2d 31 2d 31 32 3b 00 02 37 00 23 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d | 2-3;2-1-12;..7.#...11;1-1-1;1-2- |
ca540 | 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 30 3b 00 02 38 00 1c 00 00 00 33 3b 31 | 3;2-2-3;2-2-9;2-1-10;..8.....3;1 |
ca560 | 2d 32 2d 39 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 16 00 00 00 | -2-9;1-1-11;2-1-1;2-2-3;..9..... |
ca580 | 39 3b 31 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 1c 00 00 00 39 3b | 9;1-1-3;2-1-9;2-1-11;..10.....9; |
ca5a0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 1c 00 | 1-2-3;2-2-3;2-1-9;2-1-11;..11... |
ca5c0 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 | ..3;1-2-3;1-1-9;2-3-3;2-1-11;..1 |
ca5e0 | 32 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 | 2."...3;1-2-3;1-1-11;2-1-1;2-3-3 |
ca600 | 3b 32 2d 31 2d 39 3b 00 02 31 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | ;2-1-9;..13.....3;1-2-3;2-2-3;2- |
ca620 | 31 2d 31 31 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 1-11;..14.....3;1-2-3;2-2-3;2-1- |
ca640 | 31 35 3b 00 02 31 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 | 15;..15.....3;1-2-3;1-1-15;2-2-3 |
ca660 | 3b 00 02 31 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d | ;..16.....3;1-2-3;2-2-3;2-1-9;2- |
ca680 | 31 2d 31 35 3b 00 02 31 37 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | 1-15;..17.....15;1-1-3;2-2-3;..1 |
ca6a0 | 38 00 2a 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 | 8.*...8;1-1-1;1-1-12;2-1-1;2-1-8 |
ca6c0 | 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 31 39 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b | ;2-1-10;2-1-18;..19.....1;1-1-1; |
ca6e0 | 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 32 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d | 1-1-8;2-1-12;..20.....1;1-1-1;2- |
ca700 | 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 25 00 00 00 43 43 4f 50 28 3d 53 29 28 53 43 6e 31 | 1-8;....smiles.%...CCOP(=S)(SCn1 |
ca720 | 63 28 3d 4f 29 6f 63 32 63 31 63 63 63 28 63 32 29 43 6c 29 4f 43 43 00 09 75 70 64 61 74 65 64 | c(=O)oc2c1ccc(c2)Cl)OCC..updated |
ca740 | 5f 61 74 00 22 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 9f 84 7d 46 50 01 00 00 | _at.".}FP....created_at...}FP... |
ca760 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 | .default_fingerprint_size......i |
ca780 | 6e 63 68 69 00 69 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 35 43 6c 4e 4f 34 50 53 32 | nchi.i...InChI=1S/C12H15ClNO4PS2 |
ca7a0 | 2f 63 31 2d 33 2d 31 36 2d 31 39 28 32 30 2c 31 37 2d 34 2d 32 29 32 31 2d 38 2d 31 34 2d 31 30 | /c1-3-16-19(20,17-4-2)21-8-14-10 |
ca7c0 | 2d 36 2d 35 2d 39 28 31 33 29 37 2d 31 31 28 31 30 29 31 38 2d 31 32 28 31 34 29 31 35 2f 68 35 | -6-5-9(13)7-11(10)18-12(14)15/h5 |
ca7e0 | 2d 37 48 2c 33 2d 34 2c 38 48 32 2c 31 2d 32 48 33 00 00 86 04 00 00 07 5f 69 64 00 56 16 24 3a | -7H,3-4,8H2,1-2H3......._id.V.$: |
ca800 | 2b 72 ed 30 fb 00 01 76 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 | +r.0...v.warnings.......fingerpr |
ca820 | 69 6e 74 73 00 61 03 00 00 04 4d 50 32 44 00 56 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d | ints.a....MP2D.V....0.....1;1-1- |
ca840 | 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d | 1;2-1-8;..1.....1;1-1-1;1-1-8;2- |
ca860 | 31 2d 32 3b 00 02 32 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b | 1-2;..2.!...8;1-1-1;1-1-2;2-1-1; |
ca880 | 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 33 00 21 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d | 2-1-3;2-1-9;..3.!...2;1-1-3;1-1- |
ca8a0 | 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 15 00 00 00 39 3b 31 2d | 8;1-1-9;2-1-1;2-2-3;..4.....9;1- |
ca8c0 | 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b | 1-2;2-1-3;2-1-8;..5.(...3;1-1-2; |
ca8e0 | 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 31 3b 00 | 1-2-3;2-1-1;2-1-8;2-1-9;2-2-11;. |
ca900 | 02 36 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d | .6.#...3;1-1-3;1-1-11;2-1-2;2-2- |
ca920 | 33 3b 32 2d 31 2d 31 31 3b 00 02 37 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 | 3;2-1-11;..7.....11;1-2-3;1-1-11 |
ca940 | 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 1d 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 | ;2-3-3;2-1-11;..8.....11;1-1-3;1 |
ca960 | 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 2a 00 00 00 33 3b 31 2d 31 2d | -1-11;2-3-3;2-1-8;..9.*...3;1-1- |
ca980 | 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d | 3;1-1-8;1-1-11;2-1-3;2-1-11;2-1- |
ca9a0 | 31 32 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 33 2d 31 31 | 12;..10.....3;1-2-3;2-1-8;2-3-11 |
ca9c0 | 3b 00 02 31 31 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 32 2d 31 31 3b 32 2d 33 2d 33 3b 32 | ;..11.....3;1-1-3;1-2-11;2-3-3;2 |
ca9e0 | 2d 31 2d 31 31 3b 00 02 31 32 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | -1-11;..12.....11;1-2-3;2-1-1;2- |
caa00 | 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 33 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 2-3;2-1-11;..13."...3;1-1-1;1-1- |
caa20 | 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 34 00 16 00 00 00 31 3b | 3;1-1-11;2-1-2;2-2-3;..14.....1; |
caa40 | 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 35 00 2a 00 00 00 38 3b 31 2d | 1-1-3;2-1-3;2-1-11;..15.*...8;1- |
caa60 | 31 2d 33 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 33 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 31 3b 32 2d | 1-3;1-1-12;2-1-3;2-2-8;2-1-11;2- |
caa80 | 31 2d 31 38 3b 00 02 31 36 00 1d 00 00 00 31 32 3b 31 2d 33 2d 38 3b 31 2d 31 2d 31 38 3b 32 2d | 1-18;..16.....12;1-3-8;1-1-18;2- |
caaa0 | 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 37 00 11 00 00 00 31 38 3b 31 2d 31 2d 31 32 3b 32 2d 33 | 2-1;2-1-3;..17.....18;1-1-12;2-3 |
caac0 | 2d 38 3b 00 02 31 38 00 23 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 | -8;..18.#...8;1-1-1;1-1-12;2-1-1 |
caae0 | 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 31 39 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | ;2-2-8;2-1-18;..19.....1;1-1-1;1 |
cab00 | 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 32 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 | -1-8;2-1-12;..20.....1;1-1-1;2-1 |
cab20 | 2d 38 3b 00 02 32 31 00 23 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 | -8;..21.#...8;1-1-1;1-1-12;2-1-1 |
cab40 | 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 32 32 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | ;2-2-8;2-1-18;..22.....1;1-1-1;1 |
cab60 | 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 32 33 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 | -1-8;2-1-12;..23.....1;1-1-1;2-1 |
cab80 | 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 27 00 00 00 43 43 4f 43 28 3d 4f 29 63 31 63 6e 32 6e | -8;....smiles.'...CCOC(=O)c1cn2n |
caba0 | 63 28 63 63 32 6e 63 31 43 29 4f 50 28 3d 53 29 28 4f 43 43 29 4f 43 43 00 09 75 70 64 61 74 65 | c(cc2nc1C)OP(=S)(OCC)OCC..update |
cabc0 | 64 5f 61 74 00 27 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 aa 84 7d 46 50 01 00 | d_at.'.}FP....created_at...}FP.. |
cabe0 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 | ..default_fingerprint_size...... |
cac00 | 69 6e 63 68 69 00 6e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 32 30 4e 33 4f 35 50 53 2f | inchi.n...InChI=1S/C14H20N3O5PS/ |
cac20 | 63 31 2d 35 2d 31 39 2d 31 34 28 31 38 29 31 31 2d 39 2d 31 37 2d 31 32 28 31 35 2d 31 30 28 31 | c1-5-19-14(18)11-9-17-12(15-10(1 |
cac40 | 31 29 34 29 38 2d 31 33 28 31 36 2d 31 37 29 32 32 2d 32 33 28 32 34 2c 32 30 2d 36 2d 32 29 32 | 1)4)8-13(16-17)22-23(24,20-6-2)2 |
cac60 | 31 2d 37 2d 33 2f 68 38 2d 39 48 2c 35 2d 37 48 32 2c 31 2d 34 48 33 00 00 a5 03 00 00 07 5f 69 | 1-7-3/h8-9H,5-7H2,1-4H3......._i |
cac80 | 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 77 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V.$:+r.0...w.warnings.......fi |
caca0 | 6e 67 65 72 70 72 69 6e 74 73 00 92 02 00 00 04 4d 50 32 44 00 87 02 00 00 02 30 00 0f 00 00 00 | ngerprints......MP2D......0..... |
cacc0 | 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | 1;1-1-1;2-1-8;..1.....1;1-1-1;1- |
cace0 | 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 32 00 23 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 | 1-8;2-1-12;..2.#...8;1-1-1;1-1-1 |
cad00 | 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 33 00 1d 00 00 00 31 32 3b | 2;2-1-1;2-2-8;2-1-18;..3.....12; |
cad20 | 31 2d 33 2d 38 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 34 00 11 00 00 | 1-3-8;1-1-18;2-2-1;2-1-3;..4.... |
cad40 | 00 31 38 3b 31 2d 31 2d 31 32 3b 32 2d 33 2d 38 3b 00 02 35 00 24 00 00 00 38 3b 31 2d 31 2d 33 | .18;1-1-12;2-3-8;..5.$...8;1-1-3 |
cad60 | 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 36 00 | ;1-1-12;2-2-8;2-2-11;2-1-18;..6. |
cad80 | 24 00 00 00 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b | $...3;1-1-8;1-2-11;2-1-3;2-1-11; |
cada0 | 32 2d 31 2d 31 32 3b 00 02 37 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d | 2-1-12;..7.....11;1-2-3;2-1-8;2- |
cadc0 | 32 2d 31 31 3b 00 02 38 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 2-11;..8.....3;1-2-11;2-2-3;2-1- |
cade0 | 31 31 3b 00 02 39 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 | 11;..9.....11;1-2-3;1-1-11;2-3-3 |
cae00 | 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 24 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 | ;2-1-11;..10.$...11;1-1-3;1-1-11 |
cae20 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 1d 00 00 00 33 3b 31 | ;2-2-3;2-1-8;2-1-11;..11.....3;1 |
cae40 | 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 32 00 16 00 | -2-3;1-1-11;2-3-3;2-1-11;..12... |
cae60 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 33 00 0f 00 00 00 | ..3;1-2-3;2-2-3;2-1-11;..13..... |
cae80 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-2-3;2-2-3;..14.....3;1-2-3;2 |
caea0 | 2d 32 2d 33 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 | -2-3;..15.....3;1-2-3;2-2-3;..16 |
caec0 | 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 37 00 23 | .....3;1-2-3;2-2-3;2-1-11;..17.# |
caee0 | 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d | ...8;1-1-1;1-1-12;2-1-1;2-2-8;2- |
caf00 | 31 2d 31 38 3b 00 02 31 38 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d | 1-18;..18.....1;1-1-1;1-1-8;2-1- |
caf20 | 31 32 3b 00 02 31 39 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d | 12;..19.....1;1-1-1;2-1-8;....sm |
caf40 | 69 6c 65 73 00 20 00 00 00 43 43 4f 50 28 3d 53 29 28 4f 63 31 6e 63 6e 28 6e 31 29 63 31 63 63 | iles.....CCOP(=S)(Oc1ncn(n1)c1cc |
caf60 | 63 63 63 31 29 4f 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 29 8c 7d 46 50 01 00 00 09 63 72 | ccc1)OCC..updated_at.).}FP....cr |
caf80 | 65 61 74 65 64 5f 61 74 00 b1 84 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at...}FP....default_finger |
cafa0 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 63 00 00 00 49 6e 43 68 49 3d | print_size......inchi.c...InChI= |
cafc0 | 31 53 2f 43 31 32 48 31 36 4e 33 4f 33 50 53 2f 63 31 2d 33 2d 31 36 2d 31 39 28 32 30 2c 31 37 | 1S/C12H16N3O3PS/c1-3-16-19(20,17 |
cafe0 | 2d 34 2d 32 29 31 38 2d 31 32 2d 31 33 2d 31 30 2d 31 35 28 31 34 2d 31 32 29 31 31 2d 38 2d 36 | -4-2)18-12-13-10-15(14-12)11-8-6 |
cb000 | 2d 35 2d 37 2d 39 2d 31 31 2f 68 35 2d 31 30 48 2c 33 2d 34 48 32 2c 31 2d 32 48 33 00 00 e9 02 | -5-7-9-11/h5-10H,3-4H2,1-2H3.... |
cb020 | 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 78 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V.$:+r.0...x.warnings.... |
cb040 | 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ed 01 00 00 04 4d 50 32 44 00 e2 01 00 00 02 30 | ...fingerprints......MP2D......0 |
cb060 | 00 10 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 00 02 31 00 1c 00 00 00 32 38 3b 31 | .....1;1-1-28;2-1-2;..1.....28;1 |
cb080 | 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 00 22 00 00 00 32 | -1-1;1-1-2;2-1-8;2-1-9;..2."...2 |
cb0a0 | 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b | ;1-1-8;1-1-9;1-1-28;2-1-1;2-1-3; |
cb0c0 | 00 02 33 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 34 | ..3.....9;1-1-2;2-1-8;2-1-28;..4 |
cb0e0 | 00 22 00 00 00 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 | ."...8;1-1-2;1-1-3;2-2-3;2-1-9;2 |
cb100 | 2d 31 2d 32 38 3b 00 02 35 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d | -1-28;..5.....3;1-2-3;1-1-8;2-1- |
cb120 | 32 3b 32 2d 32 2d 33 3b 00 02 36 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | 2;2-2-3;..6.....3;1-2-3;2-1-1;2- |
cb140 | 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b | 2-3;2-1-8;..7.....3;1-1-1;1-2-3; |
cb160 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 | 2-2-3;2-1-10;..8.....1;1-1-3;2-2 |
cb180 | 2d 33 3b 00 02 39 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 33 2d 31 3b | -3;..9.....3;1-2-3;1-1-10;2-3-1; |
cb1a0 | 32 2d 32 2d 33 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 | 2-2-3;..10.....3;1-1-1;1-2-3;2-2 |
cb1c0 | 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 31 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 | -3;2-1-10;..11.....3;1-2-3;2-1-1 |
cb1e0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 32 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d | ;2-2-3;2-1-8;..12.....1;1-1-3;2- |
cb200 | 32 2d 33 3b 00 02 31 33 00 16 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d | 2-3;..13.....10;1-1-1;1-1-3;2-2- |
cb220 | 33 3b 00 02 31 34 00 10 00 00 00 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 00 00 00 02 73 6d | 3;..14.....1;1-1-10;2-1-3;....sm |
cb240 | 69 6c 65 73 00 1b 00 00 00 43 4e 43 28 3d 4f 29 4f 63 31 63 63 28 43 29 63 28 63 28 63 31 29 43 | iles.....CNC(=O)Oc1cc(C)c(c(c1)C |
cb260 | 29 53 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 2e 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 | )SC..updated_at...}FP....created |
cb280 | 5f 61 74 00 ba 84 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...}FP....default_fingerprint |
cb2a0 | 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 51 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 | _size......inchi.Q...InChI=1S/C1 |
cb2c0 | 31 48 31 35 4e 4f 32 53 2f 63 31 2d 37 2d 35 2d 39 28 31 34 2d 31 31 28 31 33 29 31 32 2d 33 29 | 1H15NO2S/c1-7-5-9(14-11(13)12-3) |
cb2e0 | 36 2d 38 28 32 29 31 30 28 37 29 31 35 2d 34 2f 68 35 2d 36 48 2c 31 2d 34 48 33 2c 28 48 2c 31 | 6-8(2)10(7)15-4/h5-6H,1-4H3,(H,1 |
cb300 | 32 2c 31 33 29 00 00 7d 02 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 79 04 77 61 72 | 2,13)..}...._id.V.$:+r.0...y.war |
cb320 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 91 01 00 00 04 4d 50 | nings.......fingerprints......MP |
cb340 | 32 44 00 86 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 00 | 2D......0.....1;1-1-1;2-1-1;..1. |
cb360 | 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 31 2d | ....1;1-2-1;2-1-8;..2.....1;1-1- |
cb380 | 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 00 22 00 00 00 38 3b 31 2d | 1;1-1-8;2-1-1;2-1-2;..3."...8;1- |
cb3a0 | 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 34 | 1-1;1-1-2;2-1-1;2-1-9;2-1-28;..4 |
cb3c0 | 00 1c 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b | .....2;1-1-8;1-1-9;1-1-28;2-2-1; |
cb3e0 | 00 02 35 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 36 | ..5.....9;1-1-2;2-1-8;2-1-28;..6 |
cb400 | 00 22 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b | ."...28;1-1-1;1-1-2;2-1-1;2-1-8; |
cb420 | 32 2d 31 2d 39 3b 00 02 37 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 | 2-1-9;..7.....1;1-1-1;1-1-28;2-1 |
cb440 | 2d 31 3b 32 2d 31 2d 32 3b 00 02 38 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 35 3b 32 | -1;2-1-2;..8.....1;1-2-1;2-1-5;2 |
cb460 | 2d 31 2d 32 38 3b 00 02 39 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 33 2d | -1-28;..9.....1;1-1-1;1-1-5;2-3- |
cb480 | 31 3b 00 02 31 30 00 0f 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 31 00 0f 00 | 1;..10.....5;1-3-1;2-1-1;..11... |
cb4a0 | 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 31 32 00 0f 00 00 00 31 3b 31 2d 31 2d 35 | ..1;1-1-5;2-2-1;..12.....1;1-1-5 |
cb4c0 | 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 13 00 00 00 43 43 43 4f 43 28 3d 4f 29 4e | ;2-2-1;....smiles.....CCCOC(=O)N |
cb4e0 | 43 43 43 4e 28 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 32 8c 7d 46 50 01 00 00 09 63 72 | CCCN(C)C..updated_at.2.}FP....cr |
cb500 | 65 61 74 65 64 5f 61 74 00 c4 84 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at...}FP....default_finger |
cb520 | 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 49 00 00 00 49 6e 43 68 49 3d | print_size......inchi.I...InChI= |
cb540 | 31 53 2f 43 39 48 32 30 4e 32 4f 32 2f 63 31 2d 34 2d 38 2d 31 33 2d 39 28 31 32 29 31 30 2d 36 | 1S/C9H20N2O2/c1-4-8-13-9(12)10-6 |
cb560 | 2d 35 2d 37 2d 31 31 28 32 29 33 2f 68 34 2d 38 48 32 2c 31 2d 33 48 33 2c 28 48 2c 31 30 2c 31 | -5-7-11(2)3/h4-8H2,1-3H3,(H,10,1 |
cb580 | 32 29 00 00 05 03 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 7a 04 77 61 72 6e 69 6e | 2)......._id.V.$:+r.0...z.warnin |
cb5a0 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 07 02 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
cb5c0 | fc 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 31 00 1c 00 00 | .....0.....1;1-1-8;2-1-2;..1.... |
cb5e0 | 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 32 00 | .8;1-1-1;1-1-2;2-1-9;2-1-28;..2. |
cb600 | 22 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 | "...2;1-1-8;1-1-9;1-1-28;2-1-1;2 |
cb620 | 2d 31 2d 33 3b 00 02 33 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 | -1-3;..3.....9;1-1-2;2-1-8;2-1-2 |
cb640 | 38 3b 00 02 34 00 23 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 | 8;..4.#...28;1-1-2;1-1-3;2-1-8;2 |
cb660 | 2d 31 2d 39 3b 32 2d 32 2d 31 31 3b 00 02 35 00 24 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 | -1-9;2-2-11;..5.$...3;1-2-11;1-1 |
cb680 | 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 36 00 1e 00 00 00 31 | -28;2-1-2;2-2-3;2-1-13;..6.....1 |
cb6a0 | 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 37 00 | 1;1-2-3;2-2-3;2-1-11;2-1-28;..7. |
cb6c0 | 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b | ....3;1-2-3;1-1-11;2-3-3;2-1-11; |
cb6e0 | 00 02 38 00 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 | ..8.$...3;1-2-3;1-1-11;2-3-3;2-1 |
cb700 | 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 02 39 00 25 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d | -11;2-1-13;..9.%...11;1-2-3;1-1- |
cb720 | 31 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 11 00 00 00 | 13;2-2-3;2-1-11;2-1-28;..10..... |
cb740 | 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 | 13;1-1-11;2-2-3;..11.....3;1-2-3 |
cb760 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | ;2-2-3;2-1-11;..12.....3;1-2-3;2 |
cb780 | 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 | -2-3;..13.....3;1-2-3;2-2-3;..14 |
cb7a0 | 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 00 00 02 73 6d | .....3;1-2-3;2-2-3;2-1-11;....sm |
cb7c0 | 69 6c 65 73 00 1b 00 00 00 43 4f 43 28 3d 4f 29 4e 63 31 6e 63 32 63 28 5b 6e 48 5d 31 29 63 63 | iles.....COC(=O)Nc1nc2c([nH]1)cc |
cb7e0 | 63 63 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 34 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 | cc2..updated_at.4.}FP....created |
cb800 | 5f 61 74 00 ca 84 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at...}FP....default_fingerprint |
cb820 | 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 53 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 | _size......inchi.S...InChI=1S/C9 |
cb840 | 48 39 4e 33 4f 32 2f 63 31 2d 31 34 2d 39 28 31 33 29 31 32 2d 38 2d 31 30 2d 36 2d 34 2d 32 2d | H9N3O2/c1-14-9(13)12-8-10-6-4-2- |
cb860 | 33 2d 35 2d 37 28 36 29 31 31 2d 38 2f 68 32 2d 35 48 2c 31 48 33 2c 28 48 32 2c 31 30 2c 31 31 | 3-5-7(6)11-8/h2-5H,1H3,(H2,10,11 |
cb880 | 2c 31 32 2c 31 33 29 00 00 27 03 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 7b 04 77 | ,12,13)..'...._id.V.$:+r.0...{.w |
cb8a0 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 2b 02 00 00 04 | arnings.......fingerprints.+.... |
cb8c0 | 4d 50 32 44 00 20 02 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 00 | MP2D......0.....1;1-1-28;2-1-2;. |
cb8e0 | 02 31 00 1c 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d | .1.....28;1-1-1;1-1-2;2-1-1;2-1- |
cb900 | 39 3b 00 02 32 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 | 9;..2.....2;1-1-1;1-1-9;1-1-28;2 |
cb920 | 2d 32 2d 31 3b 00 02 33 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 | -2-1;..3.....9;1-1-2;2-1-1;2-1-2 |
cb940 | 38 3b 00 02 34 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d | 8;..4.#...1;1-1-1;1-1-2;2-1-9;2- |
cb960 | 31 2d 31 30 3b 32 2d 31 2d 32 38 3b 00 02 35 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 1-10;2-1-28;..5.....1;1-1-1;1-1- |
cb980 | 31 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 36 00 10 00 00 00 31 30 3b 31 2d 32 2d 31 3b | 10;2-1-1;2-1-2;..6.....10;1-2-1; |
cb9a0 | 32 2d 32 2d 31 3b 00 02 37 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 | 2-2-1;..7.....1;1-1-1;1-1-10;2-1 |
cb9c0 | 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 38 00 1e 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 | -1;2-1-10;..8.....1;1-1-1;1-1-10 |
cb9e0 | 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 32 3b 00 02 39 00 23 00 00 00 31 30 3b 31 2d 31 2d 31 3b | ;2-1-10;2-1-12;..9.#...10;1-1-1; |
cba00 | 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 30 00 1d 00 | 1-1-12;2-1-1;2-2-8;2-1-9;..10... |
cba20 | 00 00 31 32 3b 31 2d 32 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 30 3b 32 2d 33 2d 31 3b 00 02 | ..12;1-2-8;1-1-9;1-1-10;2-3-1;.. |
cba40 | 31 31 00 17 00 00 00 39 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 30 3b 00 02 31 | 11.....9;1-1-12;2-2-8;2-1-10;..1 |
cba60 | 32 00 23 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 | 2.#...8;1-1-1;1-1-12;2-1-8;2-1-9 |
cba80 | 3b 32 2d 31 2d 31 30 3b 00 02 31 33 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b | ;2-1-10;..13.....1;1-1-8;2-1-12; |
cbaa0 | 00 02 31 34 00 23 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 38 3b 32 2d | ..14.#...8;1-1-1;1-1-12;2-1-8;2- |
cbac0 | 31 2d 39 3b 32 2d 31 2d 31 30 3b 00 02 31 35 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d | 1-9;2-1-10;..15.....1;1-1-8;2-1- |
cbae0 | 31 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 43 4e 43 28 3d 4f 29 43 43 53 43 43 53 50 | 12;....smiles.....CNC(=O)CCSCCSP |
cbb00 | 28 3d 4f 29 28 4f 43 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 39 8c 7d 46 50 01 00 00 09 | (=O)(OC)OC..updated_at.9.}FP.... |
cbb20 | 63 72 65 61 74 65 64 5f 61 74 00 d4 84 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at...}FP....default_fing |
cbb40 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 53 00 00 00 49 6e 43 68 | erprint_size......inchi.S...InCh |
cbb60 | 49 3d 31 53 2f 43 38 48 31 38 4e 4f 34 50 53 32 2f 63 31 2d 39 2d 38 28 31 30 29 34 2d 35 2d 31 | I=1S/C8H18NO4PS2/c1-9-8(10)4-5-1 |
cbb80 | 35 2d 36 2d 37 2d 31 36 2d 31 34 28 31 31 2c 31 32 2d 32 29 31 33 2d 33 2f 68 34 2d 37 48 32 2c | 5-6-7-16-14(11,12-2)13-3/h4-7H2, |
cbba0 | 31 2d 33 48 33 2c 28 48 2c 39 2c 31 30 29 00 00 d9 02 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed | 1-3H3,(H,9,10)......._id.V.$:+r. |
cbbc0 | 30 fb 00 01 7c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | 0...|.warnings.......fingerprint |
cbbe0 | 73 00 fb 01 00 00 04 4d 50 32 44 00 f0 01 00 00 02 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | s......MP2D......0.....3;1-2-3;2 |
cbc00 | 2d 32 2d 33 3b 00 02 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 00 16 | -2-3;..1.....3;1-2-3;2-2-3;..2.. |
cbc20 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 36 3b 00 02 33 00 16 00 00 00 | ...3;1-2-3;2-2-3;2-1-26;..3..... |
cbc40 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 36 3b 32 2d 34 2d 33 3b 00 02 34 00 16 00 00 00 33 3b 31 | 3;1-2-3;1-1-26;2-4-3;..4.....3;1 |
cbc60 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 36 3b 00 02 35 00 0f 00 00 00 33 3b 31 2d 32 2d | -2-3;2-2-3;2-1-26;..5.....3;1-2- |
cbc80 | 33 3b 32 2d 32 2d 33 3b 00 02 36 00 10 00 00 00 32 36 3b 31 2d 33 2d 33 3b 32 2d 36 2d 33 3b 00 | 3;2-2-3;..6.....26;1-3-3;2-6-3;. |
cbca0 | 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 36 3b 32 2d 34 2d 33 3b 00 02 38 00 | .7.....3;1-2-3;1-1-26;2-4-3;..8. |
cbcc0 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 36 3b 00 02 39 00 0f 00 00 | ....3;1-2-3;2-2-3;2-1-26;..9.... |
cbce0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b | .3;1-2-3;2-2-3;..10.....3;1-2-3; |
cbd00 | 32 2d 32 2d 33 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | 2-2-3;..11.....3;1-2-3;2-2-3;..1 |
cbd20 | 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 36 3b 00 02 31 33 00 | 2.....3;1-2-3;2-2-3;2-1-26;..13. |
cbd40 | 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 36 3b 32 2d 34 2d 33 3b 00 02 31 34 00 16 00 | ....3;1-2-3;1-1-26;2-4-3;..14... |
cbd60 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 36 3b 00 02 31 35 00 0f 00 00 00 | ..3;1-2-3;2-2-3;2-1-26;..15..... |
cbd80 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-2-3;2-2-3;..16.....3;1-2-3;2 |
cbda0 | 2d 32 2d 33 3b 00 02 31 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 38 | -2-3;..17.....3;1-2-3;2-2-3;..18 |
cbdc0 | 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 36 3b 00 00 00 02 73 6d | .....3;1-2-3;2-2-3;2-1-26;....sm |
cbde0 | 69 6c 65 73 00 21 00 00 00 63 31 63 63 63 28 63 63 31 29 5b 53 6e 5d 28 63 31 63 63 63 63 63 31 | iles.!...c1ccc(cc1)[Sn](c1ccccc1 |
cbe00 | 29 63 31 63 63 63 63 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 42 8c 7d 46 50 01 00 00 09 63 | )c1ccccc1..updated_at.B.}FP....c |
cbe20 | 72 65 61 74 65 64 5f 61 74 00 e6 84 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at...}FP....default_finge |
cbe40 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 2d 00 00 00 49 6e 43 68 49 | rprint_size......inchi.-...InChI |
cbe60 | 3d 31 53 2f 33 43 36 48 35 2e 53 6e 2f 63 33 2a 31 2d 32 2d 34 2d 36 2d 35 2d 33 2d 31 3b 2f 68 | =1S/3C6H5.Sn/c3*1-2-4-6-5-3-1;/h |
cbe80 | 33 2a 31 2d 35 48 3b 00 00 b6 03 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 7d 04 77 | 3*1-5H;......._id.V.$:+r.0...}.w |
cbea0 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 99 02 00 00 04 | arnings.......fingerprints...... |
cbec0 | 4d 50 32 44 00 8e 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 | MP2D......0.....1;1-1-1;2-1-1;.. |
cbee0 | 31 00 10 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 32 00 1c 00 00 00 31 3b 31 | 1.....1;1-2-1;2-1-10;..2.....1;1 |
cbf00 | 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 00 1c 00 00 00 | -1-1;1-1-10;2-1-1;2-1-3;..3..... |
cbf20 | 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 1c | 10;1-1-1;1-1-3;2-1-1;2-2-3;..4.. |
cbf40 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 | ...3;1-2-3;1-1-10;2-1-1;2-2-3;.. |
cbf60 | 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 36 00 16 | 5.....3;1-2-3;2-2-3;2-1-10;..6.. |
cbf80 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 37 00 1d 00 00 00 | ...3;1-2-3;2-2-3;2-1-11;..7..... |
cbfa0 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 | 3;1-2-3;1-1-11;2-3-3;2-1-11;..8. |
cbfc0 | 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b | $...3;1-2-3;1-1-11;2-3-3;2-1-11; |
cbfe0 | 32 2d 31 2d 31 33 3b 00 02 39 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | 2-1-13;..9.....3;1-2-3;2-2-3;2-1 |
cc000 | 2d 31 30 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 25 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 | -10;2-1-11;..10.%...11;1-2-3;1-1 |
cc020 | 2d 31 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 31 31 00 11 00 00 | -13;2-2-3;2-1-11;2-1-28;..11.... |
cc040 | 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 32 00 24 00 00 00 33 3b 31 2d 32 2d | .13;1-1-11;2-2-3;..12.$...3;1-2- |
cc060 | 31 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 31 | 11;1-1-28;2-1-2;2-2-3;2-1-13;..1 |
cc080 | 33 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d | 3.....11;1-2-3;2-2-3;2-1-11;2-1- |
cc0a0 | 32 38 3b 00 02 31 34 00 23 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 38 | 28;..14.#...28;1-1-2;1-1-3;2-1-8 |
cc0c0 | 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 31 3b 00 02 31 35 00 22 00 00 00 32 3b 31 2d 31 2d 38 3b 31 | ;2-1-9;2-2-11;..15."...2;1-1-8;1 |
cc0e0 | 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 36 00 16 00 00 | -1-9;1-1-28;2-1-1;2-1-3;..16.... |
cc100 | 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 31 37 00 1c 00 00 00 38 | .9;1-1-2;2-1-8;2-1-28;..17.....8 |
cc120 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 38 00 0f | ;1-1-1;1-1-2;2-1-9;2-1-28;..18.. |
cc140 | 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 21 00 00 00 | ...1;1-1-8;2-1-2;....smiles.!... |
cc160 | 43 43 43 53 63 31 63 63 63 32 63 28 63 31 29 5b 6e 48 5d 63 28 6e 32 29 4e 43 28 3d 4f 29 4f 43 | CCCSc1ccc2c(c1)[nH]c(n2)NC(=O)OC |
cc180 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 55 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.U.}FP....created_at |
cc1a0 | 00 f7 84 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | ...}FP....default_fingerprint_si |
cc1c0 | 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 6c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 | ze......inchi.l...InChI=1S/C12H1 |
cc1e0 | 35 4e 33 4f 32 53 2f 63 31 2d 33 2d 36 2d 31 38 2d 38 2d 34 2d 35 2d 39 2d 31 30 28 37 2d 38 29 | 5N3O2S/c1-3-6-18-8-4-5-9-10(7-8) |
cc200 | 31 34 2d 31 31 28 31 33 2d 39 29 31 35 2d 31 32 28 31 36 29 31 37 2d 32 2f 68 34 2d 35 2c 37 48 | 14-11(13-9)15-12(16)17-2/h4-5,7H |
cc220 | 2c 33 2c 36 48 32 2c 31 2d 32 48 33 2c 28 48 32 2c 31 33 2c 31 34 2c 31 35 2c 31 36 29 00 00 4e | ,3,6H2,1-2H3,(H2,13,14,15,16)..N |
cc240 | 04 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 7e 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V.$:+r.0...~.warnings... |
cc260 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 24 03 00 00 04 4d 50 32 44 00 19 03 00 00 02 | ....fingerprints.$....MP2D...... |
cc280 | 30 00 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 | 0.....16;1-1-3;2-2-3;..1.....3;1 |
cc2a0 | 2d 32 2d 33 3b 31 2d 31 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 32 00 16 00 00 00 33 3b 31 2d 32 2d | -2-3;1-1-16;2-2-3;..2.....3;1-2- |
cc2c0 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;2-2-3;2-1-16;..3.....3;1-2-3;2 |
cc2e0 | 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 | -1-2;2-2-3;..4.!...3;1-1-2;1-2-3 |
cc300 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 | ;2-1-1;2-2-3;2-1-9;..5.....3;1-2 |
cc320 | 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | -3;2-1-2;2-2-3;..6.....3;1-2-3;2 |
cc340 | 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 37 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -2-3;2-1-16;..7.!...2;1-1-1;1-1- |
cc360 | 33 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 39 3b 31 2d | 3;1-1-9;2-1-1;2-2-3;..8.....9;1- |
cc380 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 39 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b | 1-2;2-1-1;2-1-3;..9.!...1;1-1-1; |
cc3a0 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 30 00 15 00 00 | 1-1-2;2-1-1;2-1-3;2-1-9;..10.... |
cc3c0 | 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 35 3b 00 02 31 31 00 15 00 00 00 31 3b | .1;1-2-1;2-1-2;2-1-5;..11.....1; |
cc3e0 | 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 33 2d 31 3b 00 02 31 32 00 0f 00 00 00 35 3b 31 2d 33 | 1-1-1;1-1-5;2-3-1;..12.....5;1-3 |
cc400 | 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 33 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b | -1;2-3-1;..13.....1;1-1-1;1-1-5; |
cc420 | 32 2d 32 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 34 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | 2-2-1;2-1-19;..14."...1;1-1-1;1- |
cc440 | 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 35 3b 00 02 31 35 00 23 00 00 00 | 1-19;2-1-1;2-1-3;2-1-5;..15.#... |
cc460 | 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 | 19;1-2-1;1-1-3;2-2-1;2-1-3;2-1-1 |
cc480 | 31 3b 00 02 31 36 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b | 1;..16."...1;1-1-1;1-1-19;2-1-1; |
cc4a0 | 32 2d 31 2d 33 3b 32 2d 31 2d 35 3b 00 02 31 37 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-1-3;2-1-5;..17.....1;1-1-1;1-1 |
cc4c0 | 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 38 00 23 00 00 00 33 3b 31 2d 31 2d 33 | -5;2-2-1;2-1-19;..18.#...3;1-1-3 |
cc4e0 | 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 39 00 | ;1-1-11;1-1-19;2-2-1;2-2-3;..19. |
cc500 | 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b | ....3;1-2-3;2-1-3;2-1-11;2-1-19; |
cc520 | 00 02 32 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 31 00 16 00 00 00 | ..20.....3;1-2-3;2-2-3;..21..... |
cc540 | 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 32 00 16 00 00 00 33 3b | 3;1-2-3;2-1-3;2-1-11;..22.....3; |
cc560 | 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 32 33 00 17 00 00 00 31 31 3b 31 | 1-1-3;1-1-11;2-2-3;..23.....11;1 |
cc580 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 26 00 00 | -2-3;2-2-3;2-1-19;....smiles.&.. |
cc5a0 | 00 46 63 31 63 63 63 28 63 63 31 29 43 28 3d 4f 29 43 43 43 4e 31 43 43 4e 28 43 43 31 29 63 31 | .Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1 |
cc5c0 | 63 63 63 63 6e 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 7b 8c 7d 46 50 01 00 00 09 63 72 65 61 | ccccn1..updated_at.{.}FP....crea |
cc5e0 | 74 65 64 5f 61 74 00 ff 84 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at...}FP....default_fingerpr |
cc600 | 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 74 00 00 00 49 6e 43 68 49 3d 31 53 | int_size......inchi.t...InChI=1S |
cc620 | 2f 43 31 39 48 32 32 46 4e 33 4f 2f 63 32 30 2d 31 37 2d 38 2d 36 2d 31 36 28 37 2d 39 2d 31 37 | /C19H22FN3O/c20-17-8-6-16(7-9-17 |
cc640 | 29 31 38 28 32 34 29 34 2d 33 2d 31 31 2d 32 32 2d 31 32 2d 31 34 2d 32 33 28 31 35 2d 31 33 2d | )18(24)4-3-11-22-12-14-23(15-13- |
cc660 | 32 32 29 31 39 2d 35 2d 31 2d 32 2d 31 30 2d 32 31 2d 31 39 2f 68 31 2d 32 2c 35 2d 31 30 48 2c | 22)19-5-1-2-10-21-19/h1-2,5-10H, |
cc680 | 33 2d 34 2c 31 31 2d 31 35 48 32 00 00 49 06 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 | 3-4,11-15H2..I...._id.V.$:+r.0.. |
cc6a0 | 01 7f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c6 | ...warnings.......fingerprints.. |
cc6c0 | 04 00 00 04 4d 50 32 44 00 bb 04 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d | ....MP2D......0.....8;1-1-1;2-2- |
cc6e0 | 31 3b 00 02 31 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d | 1;..1.....1;1-2-1;1-1-8;2-3-1;2- |
cc700 | 31 2d 32 3b 00 02 32 00 21 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b 32 2d 33 2d 32 3b | 1-2;..2.!...1;1-3-1;2-1-1;2-3-2; |
cc720 | 32 2d 31 2d 35 3b 32 2d 32 2d 38 3b 00 02 33 00 27 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 2-1-5;2-2-8;..3.'...1;1-1-1;1-1- |
cc740 | 32 3b 31 2d 31 2d 35 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 34 00 15 00 | 2;1-1-5;2-4-1;2-1-2;2-1-9;..4... |
cc760 | 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 35 00 0f 00 00 00 31 3b | ..5;1-3-1;2-1-1;2-1-2;..5.....1; |
cc780 | 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 36 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d | 1-1-5;2-2-1;..6.....1;1-1-5;2-2- |
cc7a0 | 31 3b 00 02 37 00 27 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d | 1;..7.'...2;1-1-1;1-1-2;1-1-9;2- |
cc7c0 | 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 35 3b 00 02 38 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b | 1-1;2-2-2;2-1-5;..8.....9;1-1-2; |
cc7e0 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 39 00 1c 00 00 00 32 3b 31 2d 33 2d 32 3b 32 2d 32 2d | 2-1-1;2-1-2;..9.....2;1-3-2;2-2- |
cc800 | 31 3b 32 2d 33 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 1c 00 00 00 32 3b 31 2d 31 2d 32 3b | 1;2-3-9;2-1-19;..10.....2;1-1-2; |
cc820 | 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 32 3b 00 02 31 31 00 16 00 00 00 39 3b 31 2d | 1-1-9;1-1-19;2-2-2;..11.....9;1- |
cc840 | 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 31 32 00 16 00 00 00 31 39 3b 31 2d 31 | 1-2;2-1-2;2-1-19;..12.....19;1-1 |
cc860 | 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 33 00 27 00 00 00 32 3b 31 2d 31 2d 31 3b | -2;2-1-2;2-1-9;..13.'...2;1-1-1; |
cc880 | 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 33 2d 32 3b 32 2d 31 2d 38 3b 00 02 | 1-1-2;1-1-9;2-1-1;2-3-2;2-1-8;.. |
cc8a0 | 31 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 35 00 | 14.....9;1-1-2;2-1-1;2-1-2;..15. |
cc8c0 | 27 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d | '...1;1-1-1;1-2-2;1-1-8;2-2-1;2- |
cc8e0 | 32 2d 32 3b 32 2d 32 2d 39 3b 00 02 31 36 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 | 2-2;2-2-9;..16.....8;1-1-1;2-1-1 |
cc900 | 3b 32 2d 32 2d 32 3b 00 02 31 37 00 27 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d | ;2-2-2;..17.'...2;1-1-1;1-1-2;1- |
cc920 | 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 38 00 15 00 00 00 39 | 1-9;2-2-1;2-2-2;2-1-8;..18.....9 |
cc940 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 39 00 21 00 00 00 32 3b 31 2d | ;1-1-2;2-1-1;2-1-2;..19.!...2;1- |
cc960 | 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 02 32 30 | 1-1;1-2-2;2-3-1;2-1-3;2-2-9;..20 |
cc980 | 00 27 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 | .'...2;1-1-2;1-1-3;1-1-9;2-1-1;2 |
cc9a0 | 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 31 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d | -1-2;2-2-3;..21.....9;1-1-2;2-1- |
cc9c0 | 32 3b 32 2d 31 2d 33 3b 00 02 32 32 00 2d 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 | 2;2-1-3;..22.-...3;1-1-2;1-2-3;2 |
cc9e0 | 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 | -1-1;2-1-2;2-2-3;2-1-8;2-1-9;..2 |
cca00 | 33 00 2e 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b | 3.....3;1-1-1;1-2-3;2-2-1;2-1-2; |
cca20 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 35 3b 00 02 32 34 00 27 00 00 00 31 3b 31 2d | 2-2-3;2-1-8;2-1-15;..24.'...1;1- |
cca40 | 32 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d | 2-1;1-1-3;1-1-8;2-1-1;2-1-2;2-2- |
cca60 | 33 3b 00 02 32 35 00 27 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 | 3;..25.'...1;1-2-1;1-1-2;2-2-1;2 |
cca80 | 2d 32 2d 32 3b 32 2d 31 2d 33 3b 32 2d 32 2d 38 3b 00 02 32 36 00 1b 00 00 00 31 3b 31 2d 31 2d | -2-2;2-1-3;2-2-8;..26.....1;1-1- |
ccaa0 | 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 37 00 15 00 00 00 38 3b 31 | 1;2-1-1;2-1-3;2-1-8;..27.....8;1 |
ccac0 | 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 38 00 1c 00 00 00 33 3b 31 2d 32 2d | -1-1;2-2-1;2-1-3;..28.....3;1-2- |
ccae0 | 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 39 00 10 00 00 00 31 35 | 3;1-1-15;2-1-1;2-2-3;..29.....15 |
ccb00 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 33 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;1-1-3;2-2-3;..30.....3;1-2-3;2- |
ccb20 | 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 33 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-3;2-1-15;..31.....3;1-2-3;2-2- |
ccb40 | 33 3b 32 2d 31 2d 38 3b 00 02 33 32 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 | 3;2-1-8;..32.....3;1-2-3;1-1-8;2 |
ccb60 | 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 33 33 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d | -1-2;2-2-3;..33.....8;1-1-3;2-2- |
ccb80 | 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 4b 00 00 00 4f 43 31 43 32 43 28 4e 28 43 29 43 29 43 28 | 3;....smiles.K...OC1C2C(N(C)C)C( |
ccba0 | 3d 4f 29 43 28 3d 43 28 4f 29 4e 29 43 28 3d 4f 29 43 32 28 4f 29 43 28 3d 4f 29 43 32 3d 43 28 | =O)C(=C(O)N)C(=O)C2(O)C(=O)C2=C( |
ccbc0 | 4f 29 63 33 63 28 43 28 43 31 32 29 28 43 29 4f 29 63 28 43 6c 29 63 63 63 33 4f 00 09 75 70 64 | O)c3c(C(C12)(C)O)c(Cl)ccc3O..upd |
ccbe0 | 61 74 65 64 5f 61 74 00 5b 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 0f 85 7d 46 | ated_at.[.}FP....created_at...}F |
ccc00 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
ccc20 | 00 00 02 69 6e 63 68 69 00 a8 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 32 48 32 33 43 6c 4e 32 | ...inchi.....InChI=1S/C22H23ClN2 |
ccc40 | 4f 39 2f 63 31 2d 32 31 28 33 33 29 31 31 2d 36 28 32 33 29 34 2d 35 2d 37 28 32 36 29 38 28 31 | O9/c1-21(33)11-6(23)4-5-7(26)8(1 |
ccc60 | 31 29 31 35 28 32 37 29 39 2d 31 32 28 32 31 29 31 37 28 32 39 29 31 33 2d 31 34 28 32 35 28 32 | 1)15(27)9-12(21)17(29)13-14(25(2 |
ccc80 | 29 33 29 31 36 28 32 38 29 31 30 28 32 30 28 32 34 29 33 32 29 31 39 28 33 31 29 32 32 28 31 33 | )3)16(28)10(20(24)32)19(31)22(13 |
ccca0 | 2c 33 34 29 31 38 28 39 29 33 30 2f 68 34 2d 35 2c 31 32 2d 31 34 2c 31 37 2c 32 36 2d 32 37 2c | ,34)18(9)30/h4-5,12-14,17,26-27, |
cccc0 | 32 39 2c 33 32 2d 33 34 48 2c 32 34 48 32 2c 31 2d 33 48 33 00 00 19 05 00 00 07 5f 69 64 00 56 | 29,32-34H,24H2,1-3H3......._id.V |
ccce0 | 16 24 3a 2b 72 ed 30 fb 00 01 80 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | .$:+r.0.....warnings.......finge |
ccd00 | 72 70 72 69 6e 74 73 00 c4 03 00 00 04 4d 50 32 44 00 b9 03 00 00 02 30 00 0f 00 00 00 37 3b 31 | rprints......MP2D......0.....7;1 |
ccd20 | 2d 31 2d 34 3b 32 2d 31 2d 31 3b 00 02 31 00 15 00 00 00 34 3b 31 2d 31 2d 31 3b 31 2d 31 2d 37 | -1-4;2-1-1;..1.....4;1-1-1;1-1-7 |
ccd40 | 3b 32 2d 32 2d 33 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 34 3b 32 2d 34 | ;2-2-3;..2.....1;1-2-3;1-1-4;2-4 |
ccd60 | 2d 33 3b 32 2d 31 2d 37 3b 00 02 33 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 | -3;2-1-7;..3."...3;1-1-1;1-2-3;2 |
ccd80 | 2d 33 2d 33 3b 32 2d 31 2d 34 3b 32 2d 31 2d 31 35 3b 00 02 34 00 15 00 00 00 33 3b 31 2d 32 2d | -3-3;2-1-4;2-1-15;..4.....3;1-2- |
ccda0 | 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d | 3;2-2-1;2-2-3;..5.....3;1-1-1;1- |
ccdc0 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 36 00 0f 00 00 00 31 3b 31 2d 31 2d 33 | 2-3;2-2-3;2-1-28;..6.....1;1-1-3 |
ccde0 | 3b 32 2d 32 2d 33 3b 00 02 37 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d | ;2-2-3;..7."...3;1-2-3;1-1-28;2- |
cce00 | 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 38 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b | 1-1;2-1-2;2-2-3;..8.....3;1-2-3; |
cce20 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 02 39 00 1c 00 00 00 33 3b 31 2d | 2-2-3;2-1-15;2-1-28;..9.....3;1- |
cce40 | 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 10 00 00 00 | 2-3;1-1-15;2-1-1;2-2-3;..10..... |
cce60 | 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 1c 00 00 00 32 38 3b 31 2d 31 2d 32 | 15;1-1-3;2-2-3;..11.....28;1-1-2 |
cce80 | 3b 31 2d 31 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 32 00 1c 00 00 00 32 3b 31 2d | ;1-1-3;2-3-3;2-1-9;..12.....2;1- |
ccea0 | 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 33 3b 00 02 31 33 00 16 00 00 00 | 1-3;1-1-9;1-1-28;2-3-3;..13..... |
ccec0 | 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 34 00 28 00 00 00 33 3b | 9;1-1-2;2-1-3;2-1-28;..14.(...3; |
ccee0 | 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d | 1-1-2;1-2-3;2-2-3;2-1-8;2-1-9;2- |
ccf00 | 31 2d 32 38 3b 00 02 31 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d | 1-28;..15.....3;1-2-3;2-1-2;2-2- |
ccf20 | 33 3b 32 2d 31 2d 31 37 3b 00 02 31 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 37 | 3;2-1-17;..16.....3;1-2-3;1-1-17 |
ccf40 | 3b 32 2d 32 2d 33 3b 00 02 31 37 00 10 00 00 00 31 37 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | ;2-2-3;..17.....17;1-1-3;2-2-3;. |
ccf60 | 02 31 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 37 3b 00 02 31 | .18.....3;1-2-3;2-2-3;2-2-17;..1 |
ccf80 | 39 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 37 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 | 9.....3;1-2-3;1-1-17;2-2-3;2-1-8 |
ccfa0 | 3b 00 02 32 30 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d | ;..20."...3;1-2-3;1-1-8;2-1-2;2- |
ccfc0 | 32 2d 33 3b 32 2d 31 2d 31 37 3b 00 02 32 31 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d | 2-3;2-1-17;..21.....8;1-1-3;2-2- |
ccfe0 | 33 3b 00 02 32 32 00 10 00 00 00 31 37 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 33 00 1b | 3;..22.....17;1-1-3;2-2-3;..23.. |
cd000 | 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 34 3b 00 02 32 | ...3;1-1-1;1-2-3;2-3-3;2-1-4;..2 |
cd020 | 34 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 35 00 16 | 4.....3;1-2-3;2-1-1;2-2-3;..25.. |
cd040 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 32 36 00 16 00 00 | ...3;1-2-3;2-2-3;2-1-15;..26.... |
cd060 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 32 37 00 16 00 00 00 33 | .3;1-2-3;1-1-15;2-2-3;..27.....3 |
cd080 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 32 38 00 15 00 00 00 33 3b 31 | ;1-2-3;2-2-3;2-1-15;..28.....3;1 |
cd0a0 | 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 39 00 10 00 00 00 31 35 3b 31 2d 31 | -2-3;2-1-1;2-2-3;..29.....15;1-1 |
cd0c0 | 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 37 00 00 00 4e 23 43 43 28 63 31 63 | -3;2-2-3;....smiles.7...N#CC(c1c |
cd0e0 | 63 28 43 29 63 28 63 63 31 43 6c 29 4e 43 28 3d 4f 29 63 31 63 63 28 49 29 63 63 28 63 31 4f 29 | c(C)c(cc1Cl)NC(=O)c1cc(I)cc(c1O) |
cd100 | 49 29 63 31 63 63 63 28 63 63 31 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 5e 8c 7d 46 50 | I)c1ccc(cc1)Cl..updated_at.^.}FP |
cd120 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 17 85 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at...}FP....default_ |
cd140 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 8e 00 00 00 | fingerprint_size......inchi..... |
cd160 | 49 6e 43 68 49 3d 31 53 2f 43 32 32 48 31 34 43 6c 32 49 32 4e 32 4f 32 2f 63 31 2d 31 31 2d 36 | InChI=1S/C22H14Cl2I2N2O2/c1-11-6 |
cd180 | 2d 31 35 28 31 37 28 31 30 2d 32 37 29 31 32 2d 32 2d 34 2d 31 33 28 32 33 29 35 2d 33 2d 31 32 | -15(17(10-27)12-2-4-13(23)5-3-12 |
cd1a0 | 29 31 38 28 32 34 29 39 2d 32 30 28 31 31 29 32 38 2d 32 32 28 33 30 29 31 36 2d 37 2d 31 34 28 | )18(24)9-20(11)28-22(30)16-7-14( |
cd1c0 | 32 35 29 38 2d 31 39 28 32 36 29 32 31 28 31 36 29 32 39 2f 68 32 2d 39 2c 31 37 2c 32 39 48 2c | 25)8-19(26)21(16)29/h2-9,17,29H, |
cd1e0 | 31 48 33 2c 28 48 2c 32 38 2c 33 30 29 00 00 cc 04 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 | 1H3,(H,28,30)......._id.V.$:+r.0 |
cd200 | fb 00 01 81 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 | .....warnings.......fingerprints |
cd220 | 00 80 03 00 00 04 4d 50 32 44 00 75 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d | ......MP2D.u....0.....1;1-1-5;2- |
cd240 | 32 2d 31 3b 00 02 31 00 0f 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 33 2d 31 3b 00 02 32 00 1c 00 | 2-1;..1.....5;1-3-1;2-3-1;..2... |
cd260 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 33 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 33 | ..1;1-1-1;1-1-5;2-3-1;2-1-19;..3 |
cd280 | 00 22 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b | ."...1;1-2-1;1-1-19;2-2-1;2-1-3; |
cd2a0 | 32 2d 31 2d 35 3b 00 02 34 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d | 2-1-5;..4.....1;1-2-1;2-2-1;2-1- |
cd2c0 | 35 3b 32 2d 31 2d 31 39 3b 00 02 35 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 35 3b 32 | 5;2-1-19;..5.....1;1-2-1;1-1-5;2 |
cd2e0 | 2d 33 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 36 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -3-1;2-1-19;..6."...1;1-1-1;1-1- |
cd300 | 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 35 3b 00 02 37 00 1c 00 00 00 31 39 3b | 19;2-2-1;2-1-3;2-1-5;..7.....19; |
cd320 | 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 33 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 00 23 00 00 00 | 1-2-1;1-1-3;2-3-1;2-2-3;..8.#... |
cd340 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | 3;1-2-3;1-1-19;2-2-1;2-2-3;2-1-1 |
cd360 | 36 3b 00 02 39 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 32 | 6;..9.....3;1-2-3;2-2-3;2-1-11;2 |
cd380 | 2d 31 2d 31 39 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d | -1-19;..10.....3;1-2-3;1-1-11;2- |
cd3a0 | 31 2d 31 3b 32 2d 34 2d 33 3b 00 02 31 31 00 1c 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 33 2d 33 | 1-1;2-4-3;..11.....3;1-3-3;2-3-3 |
cd3c0 | 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 31 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | ;2-1-9;2-1-11;..12.....3;1-2-3;2 |
cd3e0 | 2d 33 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 31 33 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | -3-3;2-1-16;..13.....3;1-2-3;1-1 |
cd400 | 2d 31 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 34 00 10 00 00 00 31 36 3b 31 2d 31 | -16;2-2-3;2-1-19;..14.....16;1-1 |
cd420 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b | -3;2-2-3;..15.....3;1-2-3;1-1-9; |
cd440 | 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 02 31 36 00 0f 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 32 | 2-1-2;2-3-3;..16.....9;1-1-3;2-2 |
cd460 | 2d 33 3b 00 02 31 37 00 29 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b | -3;..17.)...3;1-1-2;1-2-3;2-1-3; |
cd480 | 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 32 2d 32 2d 33 32 3b 00 02 31 38 00 22 00 00 00 33 3b 31 | 2-1-9;2-1-11;2-2-32;..18."...3;1 |
cd4a0 | 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 | -1-3;1-1-11;2-1-1;2-1-2;2-2-3;.. |
cd4c0 | 31 39 00 1c 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 33 2d | 19.....11;1-1-1;1-2-3;2-2-1;2-3- |
cd4e0 | 33 3b 00 02 32 30 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 31 3b | 3;..20.....1;1-2-1;1-1-11;2-2-1; |
cd500 | 32 2d 32 2d 33 3b 00 02 32 31 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 | 2-2-3;..21.....1;1-2-1;2-2-1;2-1 |
cd520 | 2d 31 31 3b 00 02 32 32 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 | -11;..22.....1;1-2-1;2-2-1;2-1-1 |
cd540 | 31 3b 00 02 32 33 00 16 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 32 2d 33 32 3b 32 2d 32 2d 33 3b | 1;..23.....2;1-1-3;1-2-32;2-2-3; |
cd560 | 00 02 32 34 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 | ..24.....32;1-1-2;2-1-3;2-1-32;. |
cd580 | 02 32 35 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 00 | .25.....32;1-1-2;2-1-3;2-1-32;.. |
cd5a0 | 00 02 73 6d 69 6c 65 73 00 2f 00 00 00 43 4e 31 43 43 32 43 43 31 43 4e 32 63 31 63 63 32 63 28 | ..smiles./...CN1CC2CC1CN2c1cc2c( |
cd5c0 | 63 63 31 46 29 63 28 3d 4f 29 63 28 63 6e 32 43 31 43 43 31 29 43 28 3d 4f 29 4f 00 09 75 70 64 | cc1F)c(=O)c(cn2C1CC1)C(=O)O..upd |
cd5e0 | 61 74 65 64 5f 61 74 00 61 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 1e 85 7d 46 | ated_at.a.}FP....created_at...}F |
cd600 | 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 | P....default_fingerprint_size... |
cd620 | 00 00 02 69 6e 63 68 69 00 8d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 39 48 32 30 46 4e 33 4f | ...inchi.....InChI=1S/C19H20FN3O |
cd640 | 33 2f 63 31 2d 32 31 2d 37 2d 31 32 2d 34 2d 31 31 28 32 31 29 38 2d 32 32 28 31 32 29 31 37 2d | 3/c1-21-7-12-4-11(21)8-22(12)17- |
cd660 | 36 2d 31 36 2d 31 33 28 35 2d 31 35 28 31 37 29 32 30 29 31 38 28 32 34 29 31 34 28 31 39 28 32 | 6-16-13(5-15(17)20)18(24)14(19(2 |
cd680 | 35 29 32 36 29 39 2d 32 33 28 31 36 29 31 30 2d 32 2d 33 2d 31 30 2f 68 35 2d 36 2c 39 2d 31 32 | 5)26)9-23(16)10-2-3-10/h5-6,9-12 |
cd6a0 | 48 2c 32 2d 34 2c 37 2d 38 48 32 2c 31 48 33 2c 28 48 2c 32 35 2c 32 36 29 00 00 c7 04 00 00 07 | H,2-4,7-8H2,1H3,(H,25,26)....... |
cd6c0 | 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 82 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V.$:+r.0.....warnings....... |
cd6e0 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 86 03 00 00 04 4d 50 32 44 00 7b 03 00 00 02 30 00 0f 00 | fingerprints......MP2D.{....0... |
cd700 | 00 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 2d 31 3b 00 02 31 00 15 00 00 00 34 3b 31 2d 31 2d 31 3b | ..7;1-1-4;2-1-1;..1.....4;1-1-1; |
cd720 | 31 2d 31 2d 37 3b 32 2d 32 2d 33 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 1-1-7;2-2-3;..2.....1;1-2-3;1-1- |
cd740 | 34 3b 32 2d 34 2d 33 3b 32 2d 31 2d 37 3b 00 02 33 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d | 4;2-4-3;2-1-7;..3."...3;1-1-1;1- |
cd760 | 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 34 3b 32 2d 32 2d 31 35 3b 00 02 34 00 1c 00 00 00 33 | 2-3;2-3-3;2-1-4;2-2-15;..4.....3 |
cd780 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 10 00 | ;1-2-3;1-1-15;2-1-1;2-2-3;..5... |
cd7a0 | 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 | ..15;1-1-3;2-2-3;..6.....3;1-2-3 |
cd7c0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-3;2-1-15;..7.....3;1-2-3;2- |
cd7e0 | 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | 2-3;2-1-11;..8.$...3;1-2-3;1-1-1 |
cd800 | 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 35 3b 00 02 39 00 23 00 00 00 33 3b | 1;2-3-3;2-1-11;2-1-15;..9.#...3; |
cd820 | 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b | 1-2-3;1-1-15;2-1-1;2-2-3;2-1-11; |
cd840 | 00 02 31 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 24 00 00 | ..10.....15;1-1-3;2-2-3;..11.$.. |
cd860 | 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 | .11;1-2-3;1-1-11;2-3-3;2-1-9;2-1 |
cd880 | 2d 31 31 3b 00 02 31 32 00 17 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 | -11;..12.....11;1-1-3;1-1-11;2-3 |
cd8a0 | 2d 33 3b 00 02 31 33 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 39 | -3;..13.....3;1-1-3;1-1-11;2-1-9 |
cd8c0 | 3b 32 2d 32 2d 31 31 3b 00 02 31 34 00 2a 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 | ;2-2-11;..14.*...3;1-1-3;1-1-9;1 |
cd8e0 | 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 02 31 35 00 16 | -1-11;2-1-3;2-1-11;2-1-13;..15.. |
cd900 | 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 36 00 24 00 00 | ...9;1-1-3;2-1-3;2-1-11;..16.$.. |
cd920 | 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 | .11;1-2-3;1-1-13;2-1-3;2-2-9;2-1 |
cd940 | 2d 31 31 3b 00 02 31 37 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 | -11;..17.....13;1-1-11;2-2-3;..1 |
cd960 | 38 00 24 00 00 00 33 3b 31 2d 31 2d 39 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 | 8.$...3;1-1-9;1-2-11;2-2-3;2-1-1 |
cd980 | 31 3b 32 2d 31 2d 31 33 3b 00 02 31 39 00 10 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 | 1;2-1-13;..19.....9;1-1-3;2-2-11 |
cd9a0 | 3b 00 02 32 30 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d | ;..20.....3;1-1-1;1-2-3;2-3-3;2- |
cd9c0 | 31 2d 34 3b 00 02 32 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | 1-4;..21.....3;1-2-3;2-1-1;2-2-3 |
cd9e0 | 3b 00 02 32 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 | ;..22.....3;1-2-3;2-2-3;2-1-15;. |
cda00 | 02 32 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 32 | .23.....3;1-2-3;1-1-15;2-2-3;..2 |
cda20 | 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 32 35 00 | 4.....3;1-2-3;2-2-3;2-1-15;..25. |
cda40 | 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 36 00 10 00 00 | ....3;1-2-3;2-1-1;2-2-3;..26.... |
cda60 | 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 02 73 6d 69 6c 65 73 00 34 00 00 00 4e | .15;1-1-3;2-2-3;....smiles.4...N |
cda80 | 23 43 43 28 63 31 63 28 43 6c 29 63 63 63 28 63 31 43 6c 29 6e 31 6e 63 63 28 3d 4f 29 5b 6e 48 | #CC(c1c(Cl)ccc(c1Cl)n1ncc(=O)[nH |
cdaa0 | 5d 63 31 3d 4f 29 63 31 63 63 63 28 63 63 31 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 80 | ]c1=O)c1ccc(cc1)Cl..updated_at.. |
cdac0 | 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 26 85 7d 46 50 01 00 00 10 64 65 66 61 | .}FP....created_at.&.}FP....defa |
cdae0 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 | ult_fingerprint_size......inchi. |
cdb00 | 7d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 37 48 39 43 6c 33 4e 34 4f 32 2f 63 31 38 2d 31 30 | }...InChI=1S/C17H9Cl3N4O2/c18-10 |
cdb20 | 2d 33 2d 31 2d 39 28 32 2d 34 2d 31 30 29 31 31 28 37 2d 32 31 29 31 35 2d 31 32 28 31 39 29 35 | -3-1-9(2-4-10)11(7-21)15-12(19)5 |
cdb40 | 2d 36 2d 31 33 28 31 36 28 31 35 29 32 30 29 32 34 2d 31 37 28 32 36 29 32 33 2d 31 34 28 32 35 | -6-13(16(15)20)24-17(26)23-14(25 |
cdb60 | 29 38 2d 32 32 2d 32 34 2f 68 31 2d 36 2c 38 2c 31 31 48 2c 28 48 2c 32 33 2c 32 35 2c 32 36 29 | )8-22-24/h1-6,8,11H,(H,23,25,26) |
cdb80 | 00 00 62 02 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 83 04 77 61 72 6e 69 6e 67 73 | ..b...._id.V.$:+r.0.....warnings |
cdba0 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 86 01 00 00 04 4d 50 32 44 00 7b 01 | .......fingerprints......MP2D.{. |
cdbc0 | 00 00 02 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 | ...0.....32;1-1-19;2-1-3;2-1-9;. |
cdbe0 | 02 31 00 24 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 33 32 3b 32 2d 31 | .1.$...19;1-1-3;1-1-9;1-1-32;2-1 |
cdc00 | 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 | -3;2-1-11;..2.....9;1-1-19;2-1-3 |
cdc20 | 3b 32 2d 31 2d 33 32 3b 00 02 33 00 37 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 | ;2-1-32;..3.7...3;1-1-3;1-1-11;1 |
cdc40 | 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 32 | -1-19;2-1-1;2-1-3;2-1-9;2-1-11;2 |
cdc60 | 2d 31 2d 33 32 3b 00 02 34 00 24 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 | -1-32;..4.$...3;1-1-3;1-1-11;2-1 |
cdc80 | 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 35 00 1d 00 00 00 31 31 3b 31 2d 32 2d | -3;2-1-11;2-1-19;..5.....11;1-2- |
cdca0 | 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 36 00 1c 00 00 00 33 3b 31 | 3;2-1-1;2-1-3;2-1-11;..6.....3;1 |
cdcc0 | 2d 31 2d 31 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 2a 00 00 00 | -1-1;1-2-11;2-1-1;2-2-3;..7.*... |
cdce0 | 31 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 | 11;1-1-1;1-2-3;2-1-1;2-1-3;2-1-1 |
cdd00 | 31 3b 32 2d 31 2d 31 39 3b 00 02 38 00 10 00 00 00 31 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b | 1;2-1-19;..8.....1;1-1-11;2-2-3; |
cdd20 | 00 02 39 00 10 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 00 00 02 73 6d 69 6c 65 | ..9.....1;1-1-3;2-2-11;....smile |
cdd40 | 73 00 18 00 00 00 5b 4f 2d 5d 5b 4e 2b 5d 28 3d 4f 29 63 31 63 6e 63 28 6e 31 43 29 43 00 09 75 | s.....[O-][N+](=O)c1cnc(n1C)C..u |
cdd60 | 70 64 61 74 65 64 5f 61 74 00 66 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 2c 85 | pdated_at.f.}FP....created_at.,. |
cdd80 | 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | }FP....default_fingerprint_size. |
cdda0 | 00 00 00 00 02 69 6e 63 68 69 00 34 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 37 4e 33 4f 32 | .....inchi.4...InChI=1S/C5H7N3O2 |
cddc0 | 2f 63 31 2d 34 2d 36 2d 33 2d 35 28 37 28 34 29 32 29 38 28 39 29 31 30 2f 68 33 48 2c 31 2d 32 | /c1-4-6-3-5(7(4)2)8(9)10/h3H,1-2 |
cdde0 | 48 33 00 00 ba 04 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 84 04 77 61 72 6e 69 6e | H3......._id.V.$:+r.0.....warnin |
cde00 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 79 03 00 00 04 4d 50 32 44 00 | gs.......fingerprints.y....MP2D. |
cde20 | 6e 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 00 15 00 00 | n....0.....1;1-1-1;2-1-5;..1.... |
cde40 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 32 00 0f 00 00 00 35 3b 31 | .1;1-1-1;1-1-5;2-2-1;..2.....5;1 |
cde60 | 2d 33 2d 31 3b 32 2d 33 2d 31 3b 00 02 33 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 | -3-1;2-3-1;..3.....1;1-1-1;1-1-5 |
cde80 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 34 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | ;2-2-1;2-1-19;..4."...1;1-1-1;1- |
cdea0 | 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 35 3b 00 02 35 00 1c 00 00 00 31 | 1-19;2-1-1;2-1-3;2-1-5;..5.....1 |
cdec0 | 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 22 00 | 9;1-2-1;1-1-3;2-2-1;2-2-3;..6.". |
cdee0 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 | ..1;1-1-1;1-1-19;2-1-1;2-1-3;2-1 |
cdf00 | 2d 35 3b 00 02 37 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 | -5;..7.....1;1-1-1;1-1-5;2-2-1;2 |
cdf20 | 2d 31 2d 31 39 3b 00 02 38 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 | -1-19;..8.#...3;1-2-3;1-1-19;2-2 |
cdf40 | 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 39 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b | -1;2-2-3;2-1-16;..9.....3;1-2-3; |
cdf60 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 | 2-2-3;2-1-11;2-1-19;..10.....3;1 |
cdf80 | 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 34 2d 33 3b 00 02 31 31 00 1c 00 00 | -2-3;1-1-11;2-1-1;2-4-3;..11.... |
cdfa0 | 00 33 3b 31 2d 33 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 31 32 | .3;1-3-3;2-3-3;2-1-9;2-1-11;..12 |
cdfc0 | 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 31 33 00 1d | .....3;1-2-3;2-3-3;2-1-16;..13.. |
cdfe0 | 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 | ...3;1-2-3;1-1-16;2-2-3;2-1-19;. |
ce000 | 02 31 34 00 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 1b 00 00 00 | .14.....16;1-1-3;2-2-3;..15..... |
ce020 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 02 31 36 00 0f | 3;1-2-3;1-1-9;2-1-2;2-3-3;..16.. |
ce040 | 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 37 00 29 00 00 00 33 3b 31 2d 31 2d | ...9;1-1-3;2-2-3;..17.)...3;1-1- |
ce060 | 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 32 2d 32 2d 33 | 2;1-2-3;2-1-3;2-1-9;2-1-11;2-2-3 |
ce080 | 32 3b 00 02 31 38 00 22 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b | 2;..18."...3;1-1-3;1-1-11;2-1-1; |
ce0a0 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 39 00 1c 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d | 2-1-2;2-2-3;..19.....11;1-1-1;1- |
ce0c0 | 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 33 2d 33 3b 00 02 32 30 00 1c 00 00 00 31 3b 31 2d 32 2d 31 | 2-3;2-2-1;2-3-3;..20.....1;1-2-1 |
ce0e0 | 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 31 00 16 00 00 00 31 3b 31 | ;1-1-11;2-2-1;2-2-3;..21.....1;1 |
ce100 | 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 31 3b 00 02 32 32 00 16 00 00 00 31 3b 31 2d 32 | -2-1;2-2-1;2-1-11;..22.....1;1-2 |
ce120 | 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 31 3b 00 02 32 33 00 16 00 00 00 32 3b 31 2d 31 2d 33 | -1;2-2-1;2-1-11;..23.....2;1-1-3 |
ce140 | 3b 31 2d 32 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 32 34 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b | ;1-2-32;2-2-3;..24.....32;1-1-2; |
ce160 | 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 32 35 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 | 2-1-3;2-1-32;..25.....32;1-1-2;2 |
ce180 | 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 00 00 02 73 6d 69 6c 65 73 00 2f 00 00 00 43 43 4e 31 43 | -1-3;2-1-32;....smiles./...CCN1C |
ce1a0 | 43 4e 28 43 43 31 29 63 31 63 63 32 63 28 63 63 31 46 29 63 28 3d 4f 29 63 28 63 6e 32 43 31 43 | CN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1C |
ce1c0 | 43 31 29 43 28 3d 4f 29 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 68 8c 7d 46 50 01 00 00 09 63 | C1)C(=O)O..updated_at.h.}FP....c |
ce1e0 | 72 65 61 74 65 64 5f 61 74 00 34 85 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.4.}FP....default_finge |
ce200 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 82 00 00 00 49 6e 43 68 49 | rprint_size......inchi.....InChI |
ce220 | 3d 31 53 2f 43 31 39 48 32 32 46 4e 33 4f 33 2f 63 31 2d 32 2d 32 31 2d 35 2d 37 2d 32 32 28 38 | =1S/C19H22FN3O3/c1-2-21-5-7-22(8 |
ce240 | 2d 36 2d 32 31 29 31 37 2d 31 30 2d 31 36 2d 31 33 28 39 2d 31 35 28 31 37 29 32 30 29 31 38 28 | -6-21)17-10-16-13(9-15(17)20)18( |
ce260 | 32 34 29 31 34 28 31 39 28 32 35 29 32 36 29 31 31 2d 32 33 28 31 36 29 31 32 2d 33 2d 34 2d 31 | 24)14(19(25)26)11-23(16)12-3-4-1 |
ce280 | 32 2f 68 39 2d 31 32 48 2c 32 2d 38 48 32 2c 31 48 33 2c 28 48 2c 32 35 2c 32 36 29 00 00 6f 0a | 2/h9-12H,2-8H2,1H3,(H,25,26)..o. |
ce2a0 | 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 85 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V.$:+r.0.....warnings.... |
ce2c0 | 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 43 08 00 00 04 4d 50 32 44 00 38 08 00 00 02 30 | ...fingerprints.C....MP2D.8....0 |
ce2e0 | 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 00 02 31 00 0f 00 00 00 38 3b 31 2d 32 | .....1;1-1-8;2-1-1;..1.....8;1-2 |
ce300 | 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 | -1;2-2-1;..2.....1;1-2-1;1-1-8;2 |
ce320 | 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 | -3-1;2-1-8;..3.....1;1-2-1;2-1-1 |
ce340 | 3b 32 2d 33 2d 38 3b 00 02 34 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 38 3b 32 2d 33 | ;2-3-8;..4.....1;1-1-1;1-2-8;2-3 |
ce360 | 2d 31 3b 00 02 35 00 1b 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 | -1;..5.....8;1-2-1;2-2-1;2-1-2;2 |
ce380 | 2d 31 2d 38 3b 00 02 36 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 | -1-8;..6.!...1;1-1-1;1-1-2;1-1-8 |
ce3a0 | 3b 32 2d 33 2d 31 3b 32 2d 32 2d 32 3b 00 02 37 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 | ;2-3-1;2-2-2;..7.....1;1-2-1;1-1 |
ce3c0 | 2d 32 3b 32 2d 32 2d 32 3b 32 2d 31 2d 38 3b 00 02 38 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 | -2;2-2-2;2-1-8;..8.....1;1-1-1;2 |
ce3e0 | 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 39 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | -1-1;2-1-2;..9.....2;1-1-1;1-1-2 |
ce400 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 30 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d | ;2-2-1;2-1-2;..10.....2;1-2-2;2- |
ce420 | 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 31 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 32 2d 31 | 1-1;2-1-2;..11.....2;1-2-2;2-2-1 |
ce440 | 3b 32 2d 31 2d 32 3b 00 02 31 32 00 21 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d | ;2-1-2;..12.!...2;1-2-1;1-1-2;2- |
ce460 | 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 38 3b 00 02 31 33 00 1b 00 00 00 31 3b 31 2d 31 2d 32 | 2-1;2-1-2;2-2-8;..13.....1;1-1-2 |
ce480 | 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 34 00 15 00 00 00 38 3b 31 2d | ;1-1-8;2-2-1;2-1-2;..14.....8;1- |
ce4a0 | 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 35 00 21 00 00 00 31 3b 31 2d 32 2d 31 | 2-1;2-2-1;2-1-2;..15.!...1;1-2-1 |
ce4c0 | 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 32 2d 32 2d 38 3b 00 02 31 36 00 27 00 | ;1-1-8;2-2-1;2-2-2;2-2-8;..16.'. |
ce4e0 | 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 33 2d | ..1;1-2-1;1-1-2;1-1-8;2-2-1;2-3- |
ce500 | 32 3b 32 2d 31 2d 38 3b 00 02 31 37 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 | 2;2-1-8;..17.....8;1-1-1;2-2-1;2 |
ce520 | 2d 31 2d 32 3b 00 02 31 38 00 27 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 31 2d | -1-2;..18.'...1;1-1-1;1-2-2;2-1- |
ce540 | 31 3b 32 2d 32 2d 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 39 00 1b 00 00 00 32 3b 31 | 1;2-2-2;2-2-8;2-1-9;..19.....2;1 |
ce560 | 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 30 00 1b 00 00 00 | -1-1;1-1-2;2-3-1;2-1-2;..20..... |
ce580 | 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 31 00 27 | 2;1-2-1;1-1-2;2-2-1;2-1-8;..21.' |
ce5a0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 | ...1;1-1-1;1-1-2;1-1-8;2-2-1;2-1 |
ce5c0 | 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 32 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b | -2;2-1-8;..22.....8;1-1-1;2-1-1; |
ce5e0 | 32 2d 31 2d 32 3b 00 02 32 33 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 | 2-1-2;..23.....1;1-1-2;2-1-1;2-1 |
ce600 | 2d 32 3b 00 02 32 34 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b | -2;..24.!...2;1-1-1;1-1-8;1-1-9; |
ce620 | 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 35 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 | 2-2-1;2-1-2;..25.....9;1-1-2;2-1 |
ce640 | 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 36 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | -1;2-1-8;..26.....8;1-1-1;1-1-2; |
ce660 | 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b 00 02 32 37 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 | 2-3-1;2-1-9;..27.....1;1-2-1;1-1 |
ce680 | 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 38 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b | -8;2-2-1;2-1-2;..28.....1;1-2-1; |
ce6a0 | 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 32 39 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 | 2-2-1;2-2-8;..29.....1;1-2-1;1-1 |
ce6c0 | 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 30 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b | -8;2-2-1;2-1-2;..30.!...1;1-1-1; |
ce6e0 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 33 31 00 15 00 00 | 1-1-2;2-1-1;2-1-2;2-1-8;..31.... |
ce700 | 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 00 02 33 32 00 1b 00 00 00 32 3b | .2;1-1-1;1-1-2;2-3-1;..32.....2; |
ce720 | 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 33 00 15 00 00 | 1-2-1;1-1-2;2-2-1;2-1-8;..33.... |
ce740 | 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 34 00 1b 00 00 00 38 3b | .1;1-1-2;2-1-1;2-1-2;..34.....8; |
ce760 | 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 33 35 00 21 00 00 | 1-2-1;2-3-1;2-1-2;2-1-8;..35.!.. |
ce780 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 32 2d 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 | .1;1-1-1;1-1-2;1-2-8;2-3-1;2-1-2 |
ce7a0 | 3b 00 02 33 36 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d | ;..36.....1;1-2-1;2-1-1;2-1-2;2- |
ce7c0 | 33 2d 38 3b 00 02 33 37 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 | 3-8;..37.....2;1-1-1;1-1-2;2-2-1 |
ce7e0 | 3b 32 2d 32 2d 38 3b 00 02 33 38 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d | ;2-2-8;..38.....2;1-1-1;1-1-2;2- |
ce800 | 33 2d 31 3b 00 02 33 39 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 | 3-1;..39.!...1;1-2-1;1-1-2;2-1-1 |
ce820 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 34 30 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d | ;2-1-2;2-1-8;..40.....1;1-2-1;1- |
ce840 | 31 2d 38 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 31 00 1b 00 00 00 38 3b 31 2d 32 2d 31 | 1-8;2-4-1;2-1-2;..41.....8;1-2-1 |
ce860 | 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 34 32 00 15 00 00 00 31 3b 31 2d | ;2-3-1;2-1-2;2-1-8;..42.....1;1- |
ce880 | 33 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 33 00 0f 00 00 00 31 3b 31 2d 31 2d 31 | 3-1;2-1-1;2-1-8;..43.....1;1-1-1 |
ce8a0 | 3b 32 2d 32 2d 31 3b 00 02 34 34 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 | ;2-2-1;..44.....1;1-1-1;2-2-1;.. |
ce8c0 | 34 35 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 36 00 | 45.....1;1-1-1;2-1-1;2-1-2;..46. |
ce8e0 | 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 37 00 1b 00 00 | ....8;1-2-1;2-3-1;2-1-8;..47.... |
ce900 | 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 38 00 | .1;1-2-1;1-1-8;2-2-1;2-1-8;..48. |
ce920 | 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 32 2d 38 3b 00 02 | ....1;1-2-1;1-1-8;2-3-1;2-2-8;.. |
ce940 | 34 39 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 30 00 | 49.....8;1-2-1;2-3-1;2-1-8;..50. |
ce960 | 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 38 3b 32 2d 33 2d 31 3b 00 02 35 31 00 15 00 00 | ....1;1-1-1;1-2-8;2-3-1;..51.... |
ce980 | 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 33 2d 38 3b 00 02 35 32 00 1c 00 00 00 31 3b | .1;1-2-1;2-1-1;2-3-8;..52.....1; |
ce9a0 | 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 35 33 00 0f 00 | 1-2-1;1-1-8;2-3-1;2-1-28;..53... |
ce9c0 | 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 35 34 00 0f 00 00 00 31 3b 31 2d 31 2d 38 | ..8;1-2-1;2-2-1;..54.....1;1-1-8 |
ce9e0 | 3b 32 2d 31 2d 31 3b 00 02 35 35 00 22 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 38 3b 32 | ;2-1-1;..55."...1;1-2-1;1-1-28;2 |
cea00 | 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 38 3b 00 02 35 36 00 1c 00 00 00 31 3b 31 2d 32 2d | -2-1;2-1-2;2-2-8;..56.....1;1-2- |
cea20 | 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 35 37 00 15 00 00 00 38 3b | 1;1-1-8;2-2-1;2-1-28;..57.....8; |
cea40 | 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 38 00 15 00 00 00 31 3b 31 2d 31 | 1-2-1;2-3-1;2-1-8;..58.....1;1-1 |
cea60 | 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 39 00 1c 00 00 00 32 38 3b 31 2d 31 2d 31 | -1;2-1-1;2-1-8;..59.....28;1-1-1 |
cea80 | 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b 00 02 36 30 00 1c 00 00 00 32 3b 31 2d | ;1-1-2;2-3-1;2-1-9;..60.....2;1- |
ceaa0 | 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 00 02 36 31 00 16 00 00 00 | 1-1;1-1-9;1-1-28;2-1-1;..61..... |
ceac0 | 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 36 32 00 16 00 00 00 31 3b | 9;1-1-2;2-1-1;2-1-28;..62.....1; |
ceae0 | 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 36 33 00 15 00 00 00 31 3b 31 2d | 1-1-2;2-1-9;2-1-28;..63.....1;1- |
ceb00 | 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 02 73 6d 69 6c 65 73 00 76 00 00 00 43 | 1-1;2-1-1;2-1-8;....smiles.v...C |
ceb20 | 4f 43 31 43 43 28 4f 43 32 43 28 43 29 43 3d 43 43 3d 43 33 43 4f 43 34 43 33 28 4f 29 43 28 43 | OC1CC(OC2C(C)C=CC=C3COC4C3(O)C(C |
ceb40 | 3d 43 28 43 34 4f 29 43 29 43 28 3d 4f 29 4f 43 33 43 43 28 43 43 3d 43 32 43 29 4f 43 32 28 43 | =C(C4O)C)C(=O)OC3CC(CC=C2C)OC2(C |
ceb60 | 33 29 43 3d 43 43 28 43 28 4f 32 29 43 28 43 29 43 29 43 29 4f 43 28 43 31 4f 43 31 43 43 28 4f | 3)C=CC(C(O2)C(C)C)C)OC(C1OC1CC(O |
ceb80 | 43 29 43 28 43 28 4f 31 29 43 29 4e 43 28 3d 4f 29 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 | C)C(C(O1)C)NC(=O)C)C..updated_at |
ceba0 | 00 84 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 41 85 7d 46 50 01 00 00 10 64 65 | ...}FP....created_at.A.}FP....de |
cebc0 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 | fault_fingerprint_size......inch |
cebe0 | 69 00 26 01 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 39 48 37 33 4e 4f 31 34 2f 63 31 2d 32 35 28 | i.&...InChI=1S/C49H73NO14/c1-25( |
cec00 | 32 29 34 33 2d 32 38 28 35 29 31 37 2d 31 38 2d 34 38 28 36 34 2d 34 33 29 32 33 2d 33 35 2d 32 | 2)43-28(5)17-18-48(64-43)23-35-2 |
cec20 | 30 2d 33 34 28 36 33 2d 34 38 29 31 36 2d 31 35 2d 32 37 28 34 29 34 34 28 32 36 28 33 29 31 33 | 0-34(63-48)16-15-27(4)44(26(3)13 |
cec40 | 2d 31 32 2d 31 34 2d 33 33 2d 32 34 2d 35 37 2d 34 36 2d 34 32 28 35 32 29 32 39 28 36 29 31 39 | -12-14-33-24-57-46-42(52)29(6)19 |
cec60 | 2d 33 36 28 34 37 28 35 33 29 36 30 2d 33 35 29 34 39 28 33 33 2c 34 36 29 35 34 29 36 31 2d 34 | -36(47(53)60-35)49(33,46)54)61-4 |
cec80 | 30 2d 32 32 2d 33 38 28 35 36 2d 31 31 29 34 35 28 33 31 28 38 29 35 39 2d 34 30 29 36 32 2d 33 | 0-22-38(56-11)45(31(8)59-40)62-3 |
ceca0 | 39 2d 32 31 2d 33 37 28 35 35 2d 31 30 29 34 31 28 33 30 28 37 29 35 38 2d 33 39 29 35 30 2d 33 | 9-21-37(55-10)41(30(7)58-39)50-3 |
cecc0 | 32 28 39 29 35 31 2f 68 31 32 2d 31 35 2c 31 37 2d 31 39 2c 32 35 2d 32 36 2c 32 38 2c 33 30 2d | 2(9)51/h12-15,17-19,25-26,28,30- |
cece0 | 33 31 2c 33 34 2d 34 36 2c 35 32 2c 35 34 48 2c 31 36 2c 32 30 2d 32 34 48 32 2c 31 2d 31 31 48 | 31,34-46,52,54H,16,20-24H2,1-11H |
ced00 | 33 2c 28 48 2c 35 30 2c 35 31 29 00 00 65 05 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 | 3,(H,50,51)..e...._id.V.$:+r.0.. |
ced20 | 01 86 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 04 | ...warnings.......fingerprints.. |
ced40 | 04 00 00 04 4d 50 32 44 00 f9 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d | ....MP2D......0.....1;1-1-8;2-1- |
ced60 | 31 3b 00 02 31 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 22 00 00 00 | 1;..1.....8;1-2-1;2-1-2;..2."... |
ced80 | 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 | 1;1-1-2;1-1-8;2-1-1;2-1-9;2-1-28 |
ceda0 | 3b 00 02 33 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d | ;..3."...2;1-1-1;1-1-9;1-1-28;2- |
cedc0 | 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b | 1-3;2-1-8;..4.....9;1-1-2;2-1-1; |
cede0 | 32 2d 31 2d 32 38 3b 00 02 35 00 22 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d | 2-1-28;..5."...28;1-1-2;1-1-3;2- |
cee00 | 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 36 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b | 1-1;2-2-3;2-1-9;..6.#...3;1-2-3; |
cee20 | 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 1d 00 | 1-1-28;2-1-2;2-2-3;2-1-19;..7... |
cee40 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 32 38 3b 00 02 | ..3;1-2-3;2-2-3;2-1-10;2-1-28;.. |
cee60 | 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 33 2d 33 3b 00 02 39 00 16 | 8.....3;1-2-3;1-1-10;2-3-3;..9.. |
cee80 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 30 00 16 00 00 | ...3;1-2-3;2-2-3;2-1-10;..10.... |
ceea0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 23 00 00 00 33 | .3;1-2-3;2-2-3;2-1-19;..11.#...3 |
ceec0 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 | ;1-2-3;1-1-19;2-1-2;2-2-3;2-1-28 |
ceee0 | 3b 00 02 31 32 00 1d 00 00 00 31 39 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 | ;..12.....19;1-1-2;1-1-3;2-2-3;2 |
cef00 | 2d 32 2d 32 38 3b 00 02 31 33 00 1d 00 00 00 32 3b 31 2d 31 2d 31 39 3b 31 2d 32 2d 32 38 3b 32 | -2-28;..13.....2;1-1-19;1-2-28;2 |
cef20 | 2d 32 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 34 00 24 00 00 00 32 38 3b 31 2d 32 2d 32 3b 32 2d 31 | -2-2;2-1-3;..14.$...28;1-2-2;2-1 |
cef40 | 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 32 2d 31 2d 32 38 3b 00 02 31 35 00 22 00 00 00 | -8;2-1-9;2-1-19;2-1-28;..15."... |
cef60 | 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 | 2;1-1-8;1-1-9;1-1-28;2-1-1;2-1-2 |
cef80 | 3b 00 02 31 36 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 | ;..16.....9;1-1-2;2-1-8;2-1-28;. |
cefa0 | 02 31 37 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d | .17.....8;1-1-1;1-1-2;2-1-9;2-1- |
cefc0 | 32 38 3b 00 02 31 38 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 31 39 00 24 | 28;..18.....1;1-1-8;2-1-2;..19.$ |
cefe0 | 00 00 00 32 38 3b 31 2d 32 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 32 | ...28;1-2-2;2-1-8;2-1-9;2-1-19;2 |
cf000 | 2d 31 2d 32 38 3b 00 02 32 30 00 22 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 | -1-28;..20."...2;1-1-8;1-1-9;1-1 |
cf020 | 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 31 00 16 00 00 00 39 3b 31 2d 31 2d 32 | -28;2-1-1;2-1-2;..21.....9;1-1-2 |
cf040 | 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 32 32 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 | ;2-1-8;2-1-28;..22.....8;1-1-1;1 |
cf060 | 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 32 33 00 0f 00 00 00 31 3b 31 2d 31 | -1-2;2-1-9;2-1-28;..23.....1;1-1 |
cf080 | 2d 38 3b 32 2d 31 2d 32 3b 00 02 32 34 00 10 00 00 00 31 30 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 | -8;2-1-2;..24.....10;1-2-3;2-4-3 |
cf0a0 | 3b 00 02 32 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 33 2d 33 3b 00 | ;..25.....3;1-2-3;1-1-10;2-3-3;. |
cf0c0 | 02 32 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 32 | .26.....3;1-2-3;2-2-3;2-1-10;..2 |
cf0e0 | 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 38 00 0f 00 00 00 33 3b 31 | 7.....3;1-2-3;2-2-3;..28.....3;1 |
cf100 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -2-3;2-2-3;..29.....3;1-2-3;2-2- |
cf120 | 33 3b 00 02 33 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b | 3;..30.....3;1-2-3;2-2-3;2-1-10; |
cf140 | 00 00 00 02 73 6d 69 6c 65 73 00 32 00 00 00 43 4f 43 43 28 3d 4f 29 4e 63 31 63 63 28 63 63 63 | ....smiles.2...COCC(=O)Nc1cc(ccc |
cf160 | 31 4e 43 28 3d 4e 43 28 3d 4f 29 4f 43 29 4e 43 28 3d 4f 29 4f 43 29 53 63 31 63 63 63 63 63 31 | 1NC(=NC(=O)OC)NC(=O)OC)Sc1ccccc1 |
cf180 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 70 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.p.}FP....created_at |
cf1a0 | 00 49 85 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | .I.}FP....default_fingerprint_si |
cf1c0 | 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 9f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 30 48 32 | ze......inchi.....InChI=1S/C20H2 |
cf1e0 | 32 4e 34 4f 36 53 2f 63 31 2d 32 38 2d 31 32 2d 31 37 28 32 35 29 32 31 2d 31 36 2d 31 31 2d 31 | 2N4O6S/c1-28-12-17(25)21-16-11-1 |
cf200 | 34 28 33 31 2d 31 33 2d 37 2d 35 2d 34 2d 36 2d 38 2d 31 33 29 39 2d 31 30 2d 31 35 28 31 36 29 | 4(31-13-7-5-4-6-8-13)9-10-15(16) |
cf220 | 32 32 2d 31 38 28 32 33 2d 31 39 28 32 36 29 32 39 2d 32 29 32 34 2d 32 30 28 32 37 29 33 30 2d | 22-18(23-19(26)29-2)24-20(27)30- |
cf240 | 33 2f 68 34 2d 31 31 48 2c 31 32 48 32 2c 31 2d 33 48 33 2c 28 48 2c 32 31 2c 32 35 29 28 48 32 | 3/h4-11H,12H2,1-3H3,(H,21,25)(H2 |
cf260 | 2c 32 32 2c 32 33 2c 32 34 2c 32 36 2c 32 37 29 00 00 aa 03 00 00 07 5f 69 64 00 56 16 24 3a 2b | ,22,23,24,26,27)......._id.V.$:+ |
cf280 | 72 ed 30 fb 00 01 87 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.0.....warnings.......fingerpri |
cf2a0 | 6e 74 73 00 8e 02 00 00 04 4d 50 32 44 00 83 02 00 00 02 30 00 10 00 00 00 31 36 3b 31 2d 31 2d | nts......MP2D......0.....16;1-1- |
cf2c0 | 33 3b 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 36 3b 32 | 3;2-2-3;..1.....3;1-2-3;1-1-16;2 |
cf2e0 | 2d 32 2d 33 3b 00 02 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 | -2-3;..2.....3;1-2-3;2-1-1;2-2-3 |
cf300 | 3b 32 2d 31 2d 31 36 3b 00 02 33 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d | ;2-1-16;..3."...3;1-1-1;1-2-3;2- |
cf320 | 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 34 00 1b 00 00 00 31 3b 31 2d 31 2d 31 | 1-1;2-2-3;2-1-11;..4.....1;1-1-1 |
cf340 | 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 1c 00 00 00 31 3b 31 2d 32 | ;1-1-3;2-1-1;2-2-3;..5.....1;1-2 |
cf360 | 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 36 00 1c 00 00 00 31 3b | -1;2-1-1;2-1-3;2-1-11;..6.....1; |
cf380 | 31 2d 32 2d 31 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 1c 00 00 | 1-2-1;1-1-11;2-1-1;2-2-3;..7.... |
cf3a0 | 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 33 2d 33 3b 00 02 38 00 | .11;1-1-1;1-2-3;2-2-1;2-3-3;..8. |
cf3c0 | 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 31 3b 32 2d 34 2d 33 3b 00 | ....3;1-2-3;1-1-11;2-2-1;2-4-3;. |
cf3e0 | 02 39 00 1c 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 | .9.....3;1-3-3;2-3-3;2-1-9;2-1-1 |
cf400 | 31 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 36 3b | 1;..10.....3;1-2-3;2-3-3;2-1-16; |
cf420 | 00 02 31 31 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 33 | ..11.....3;1-2-3;1-1-9;2-1-2;2-3 |
cf440 | 2d 33 3b 00 02 31 32 00 0f 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 29 | -3;..12.....9;1-1-3;2-2-3;..13.) |
cf460 | 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 | ...3;1-1-2;1-2-3;2-1-3;2-1-9;2-1 |
cf480 | 2d 31 31 3b 32 2d 32 2d 33 32 3b 00 02 31 34 00 22 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d | -11;2-2-32;..14."...3;1-1-3;1-1- |
cf4a0 | 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 35 00 16 00 00 00 32 3b | 11;2-1-1;2-1-2;2-2-3;..15.....2; |
cf4c0 | 31 2d 31 2d 33 3b 31 2d 32 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 31 36 00 17 00 00 00 33 32 3b 31 | 1-1-3;1-2-32;2-2-3;..16.....32;1 |
cf4e0 | 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 37 00 17 00 00 00 33 32 3b 31 2d | -1-2;2-1-3;2-1-32;..17.....32;1- |
cf500 | 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 38 00 16 00 00 00 31 3b 31 2d 31 2d | 1-2;2-1-3;2-1-32;..18.....1;1-1- |
cf520 | 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 26 00 00 00 46 63 | 1;2-1-1;2-1-11;....smiles.&...Fc |
cf540 | 31 63 63 32 43 43 43 28 6e 33 63 32 63 28 63 31 29 63 28 3d 4f 29 63 28 63 33 29 43 28 3d 4f 29 | 1cc2CCC(n3c2c(c1)c(=O)c(c3)C(=O) |
cf560 | 4f 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 72 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 | O)C..updated_at.r.}FP....created |
cf580 | 5f 61 74 00 50 85 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at.P.}FP....default_fingerprint |
cf5a0 | 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 66 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 | _size......inchi.f...InChI=1S/C1 |
cf5c0 | 34 48 31 32 46 4e 4f 33 2f 63 31 2d 37 2d 32 2d 33 2d 38 2d 34 2d 39 28 31 35 29 35 2d 31 30 2d | 4H12FNO3/c1-7-2-3-8-4-9(15)5-10- |
cf5e0 | 31 32 28 38 29 31 36 28 37 29 36 2d 31 31 28 31 33 28 31 30 29 31 37 29 31 34 28 31 38 29 31 39 | 12(8)16(7)6-11(13(10)17)14(18)19 |
cf600 | 2f 68 34 2d 37 48 2c 32 2d 33 48 32 2c 31 48 33 2c 28 48 2c 31 38 2c 31 39 29 00 00 2a 04 00 00 | /h4-7H,2-3H2,1H3,(H,18,19)..*... |
cf620 | 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 88 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V.$:+r.0.....warnings...... |
cf640 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 fd 02 00 00 04 4d 50 32 44 00 f2 02 00 00 02 30 00 0f | .fingerprints......MP2D......0.. |
cf660 | 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 31 00 1c 00 00 00 38 3b 31 2d 31 2d 31 | ...1;1-1-8;2-1-2;..1.....8;1-1-1 |
cf680 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 32 00 22 00 00 00 32 3b 31 2d | ;1-1-2;2-1-9;2-1-28;..2."...2;1- |
cf6a0 | 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 | 1-8;1-1-9;1-1-28;2-1-1;2-1-3;..3 |
cf6c0 | 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 34 00 23 00 | .....9;1-1-2;2-1-8;2-1-28;..4.#. |
cf6e0 | 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 32 | ..28;1-1-2;1-1-3;2-1-8;2-1-9;2-2 |
cf700 | 2d 31 31 3b 00 02 35 00 24 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d | -11;..5.$...3;1-2-11;1-1-28;2-1- |
cf720 | 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 36 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b | 2;2-2-3;2-1-13;..6.....11;1-2-3; |
cf740 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 37 00 1d 00 00 00 33 3b 31 2d | 2-2-3;2-1-11;2-1-28;..7.....3;1- |
cf760 | 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 24 00 00 00 | 2-3;1-1-11;2-3-3;2-1-11;..8.$... |
cf780 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d | 3;1-2-3;1-1-11;2-3-3;2-1-11;2-1- |
cf7a0 | 31 33 3b 00 02 39 00 25 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 32 2d 33 | 13;..9.%...11;1-2-3;1-1-13;2-2-3 |
cf7c0 | 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 | ;2-1-11;2-1-28;..10.....13;1-1-1 |
cf7e0 | 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 1;2-2-3;..11.....3;1-2-3;2-2-3;2 |
cf800 | 2d 31 2d 31 31 3b 32 2d 31 2d 32 39 3b 00 02 31 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | -1-11;2-1-29;..12.....3;1-2-3;1- |
cf820 | 31 2d 32 39 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 33 00 16 00 00 00 33 3b 31 2d 32 2d | 1-29;2-3-3;2-1-9;..13.....3;1-2- |
cf840 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 39 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | 3;2-2-3;2-1-29;..14.....3;1-2-3; |
cf860 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 35 00 16 00 00 00 32 39 3b 31 2d 32 2d 33 3b 31 | 2-2-3;2-1-11;..15.....29;1-2-3;1 |
cf880 | 2d 31 2d 39 3b 32 2d 34 2d 33 3b 00 02 31 36 00 10 00 00 00 39 3b 31 2d 31 2d 32 39 3b 32 2d 32 | -1-9;2-4-3;..16.....9;1-1-29;2-2 |
cf8a0 | 2d 33 3b 00 02 31 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 39 3b 32 2d 33 2d 33 | -3;..17.....3;1-2-3;1-1-29;2-3-3 |
cf8c0 | 3b 32 2d 31 2d 39 3b 00 02 31 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | ;2-1-9;..18.....3;1-2-3;2-2-3;2- |
cf8e0 | 31 2d 32 39 3b 00 02 31 39 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 30 | 1-29;..19.....3;1-2-3;2-2-3;..20 |
cf900 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 31 00 0f 00 00 00 33 3b 31 2d | .....3;1-2-3;2-2-3;..21.....3;1- |
cf920 | 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | 2-3;2-2-3;..22.....3;1-2-3;2-2-3 |
cf940 | 3b 32 2d 31 2d 32 39 3b 00 00 00 02 73 6d 69 6c 65 73 00 2a 00 00 00 43 4f 43 28 3d 4f 29 4e 63 | ;2-1-29;....smiles.*...COC(=O)Nc |
cf960 | 31 6e 63 32 63 28 5b 6e 48 5d 31 29 63 63 28 63 63 32 29 53 28 3d 4f 29 63 31 63 63 63 63 63 31 | 1nc2c([nH]1)cc(cc2)S(=O)c1ccccc1 |
cf980 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 75 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.u.}FP....created_at |
cf9a0 | 00 57 85 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | .W.}FP....default_fingerprint_si |
cf9c0 | 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 73 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 31 | ze......inchi.s...InChI=1S/C15H1 |
cf9e0 | 33 4e 33 4f 33 53 2f 63 31 2d 32 31 2d 31 35 28 31 39 29 31 38 2d 31 34 2d 31 36 2d 31 32 2d 38 | 3N3O3S/c1-21-15(19)18-14-16-12-8 |
cfa00 | 2d 37 2d 31 31 28 39 2d 31 33 28 31 32 29 31 37 2d 31 34 29 32 32 28 32 30 29 31 30 2d 35 2d 33 | -7-11(9-13(12)17-14)22(20)10-5-3 |
cfa20 | 2d 32 2d 34 2d 36 2d 31 30 2f 68 32 2d 39 48 2c 31 48 33 2c 28 48 32 2c 31 36 2c 31 37 2c 31 38 | -2-4-6-10/h2-9H,1H3,(H2,16,17,18 |
cfa40 | 2c 31 39 29 00 00 ec 05 00 00 07 5f 69 64 00 56 16 24 3a 2b 72 ed 30 fb 00 01 89 04 77 61 72 6e | ,19)......._id.V.$:+r.0.....warn |
cfa60 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 7c 04 00 00 04 4d 50 32 | ings.......fingerprints.|....MP2 |
cfa80 | 44 00 71 04 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 31 00 15 | D.q....0.....1;1-1-5;2-2-1;..1.. |
cfaa0 | 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 27 00 00 00 31 | ...5;1-3-1;2-1-1;2-1-2;..2.'...1 |
cfac0 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 35 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 | ;1-1-1;1-1-2;1-1-5;2-4-1;2-1-2;2 |
cfae0 | 2d 31 2d 39 3b 00 02 33 00 27 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 | -1-9;..3.'...2;1-1-1;1-1-2;1-1-9 |
cfb00 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 35 3b 00 02 34 00 15 00 00 00 39 3b 31 2d 31 | ;2-1-1;2-2-2;2-1-5;..4.....9;1-1 |
cfb20 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 35 00 1c 00 00 00 32 3b 31 2d 33 2d 32 3b 32 | -2;2-1-1;2-1-2;..5.....2;1-3-2;2 |
cfb40 | 2d 32 2d 31 3b 32 2d 33 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 36 00 1c 00 00 00 32 3b 31 2d 31 2d | -2-1;2-3-9;2-1-19;..6.....2;1-1- |
cfb60 | 32 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 32 3b 00 02 37 00 16 00 00 00 39 3b 31 | 2;1-1-9;1-1-19;2-2-2;..7.....9;1 |
cfb80 | 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 38 00 16 00 00 00 31 39 3b 31 2d 31 | -1-2;2-1-2;2-1-19;..8.....19;1-1 |
cfba0 | 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 39 00 27 00 00 00 32 3b 31 2d 31 2d 31 3b 31 | -2;2-1-2;2-1-9;..9.'...2;1-1-1;1 |
cfbc0 | 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 33 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 | -1-2;1-1-9;2-1-1;2-3-2;2-1-8;..1 |
cfbe0 | 30 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 31 00 27 | 0.....9;1-1-2;2-1-1;2-1-2;..11.' |
cfc00 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 | ...1;1-1-1;1-2-2;1-1-8;2-2-1;2-2 |
cfc20 | 2d 32 3b 32 2d 32 2d 39 3b 00 02 31 32 00 21 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b | -2;2-2-9;..12.!...1;1-3-1;2-1-1; |
cfc40 | 32 2d 33 2d 32 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b 00 02 31 33 00 15 00 00 00 31 3b 31 2d 32 | 2-3-2;2-1-5;2-1-8;..13.....1;1-2 |
cfc60 | 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 34 00 27 00 00 00 31 3b 31 2d 32 2d 31 3b | -1;2-3-1;2-1-2;..14.'...1;1-2-1; |
cfc80 | 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 | 1-1-2;2-2-1;2-2-2;2-1-3;2-1-8;.. |
cfca0 | 31 35 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 33 | 15.!...2;1-1-1;1-2-2;2-3-1;2-1-3 |
cfcc0 | 3b 32 2d 32 2d 39 3b 00 02 31 36 00 27 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d | ;2-2-9;..16.'...2;1-1-2;1-1-3;1- |
cfce0 | 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 37 00 15 00 00 00 39 | 1-9;2-1-1;2-1-2;2-2-3;..17.....9 |
cfd00 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 38 00 2d 00 00 00 33 3b 31 2d | ;1-1-2;2-1-2;2-1-3;..18.-...3;1- |
cfd20 | 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 1-2;1-2-3;2-1-1;2-1-2;2-2-3;2-1- |
cfd40 | 38 3b 32 2d 31 2d 39 3b 00 02 31 39 00 27 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 | 8;2-1-9;..19.'...3;1-1-1;1-2-3;2 |
cfd60 | 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 30 00 27 00 00 00 | -2-1;2-1-2;2-2-3;2-1-8;..20.'... |
cfd80 | 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b | 1;1-2-1;1-1-3;1-1-8;2-1-1;2-1-2; |
cfda0 | 32 2d 32 2d 33 3b 00 02 32 31 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 | 2-2-3;..21.....1;1-1-1;2-1-1;2-1 |
cfdc0 | 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 32 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b | -3;2-1-8;..22.....8;1-1-1;2-2-1; |
cfde0 | 32 2d 31 2d 33 3b 00 02 32 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 | 2-1-3;..23.....3;1-2-3;2-1-1;2-2 |
cfe00 | 2d 33 3b 00 02 32 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 35 00 15 | -3;..24.....3;1-2-3;2-2-3;..25.. |
cfe20 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 36 00 1b 00 00 00 | ...3;1-2-3;2-2-3;2-1-8;..26..... |
cfe40 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 37 00 0f | 3;1-2-3;1-1-8;2-1-2;2-2-3;..27.. |
cfe60 | 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 38 00 27 00 00 00 32 3b 31 2d 31 2d | ...8;1-1-3;2-2-3;..28.'...2;1-1- |
cfe80 | 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 38 3b | 1;1-1-2;1-1-9;2-2-1;2-2-2;2-1-8; |
cfea0 | 00 02 32 39 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 | ..29.....9;1-1-2;2-1-1;2-1-2;..3 |
cfec0 | 30 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 33 31 00 0f | 0.....8;1-1-1;2-1-1;2-2-2;..31.. |
cfee0 | 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 42 00 00 00 | ...1;1-1-5;2-2-1;....smiles.B... |
cff00 | 43 4e 28 43 31 43 28 3d 4f 29 43 28 3d 43 28 4f 29 4e 29 43 28 3d 4f 29 43 32 28 43 31 43 43 31 | CN(C1C(=O)C(=C(O)N)C(=O)C2(C1CC1 |
cff20 | 43 28 3d 43 28 4f 29 63 33 63 28 43 31 28 43 29 4f 29 63 63 63 63 33 4f 29 43 32 3d 4f 29 4f 29 | C(=C(O)c3c(C1(C)O)cccc3O)C2=O)O) |
cff40 | 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 78 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 | C..updated_at.x.}FP....created_a |
cff60 | 74 00 60 85 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 | t.`.}FP....default_fingerprint_s |
cff80 | 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 9e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 32 48 | ize......inchi.....InChI=1S/C22H |
cffa0 | 32 34 4e 32 4f 38 2f 63 31 2d 32 31 28 33 31 29 38 2d 35 2d 34 2d 36 2d 31 31 28 32 35 29 31 32 | 24N2O8/c1-21(31)8-5-4-6-11(25)12 |
cffc0 | 28 38 29 31 36 28 32 36 29 31 33 2d 39 28 32 31 29 37 2d 31 30 2d 31 35 28 32 34 28 32 29 33 29 | (8)16(26)13-9(21)7-10-15(24(2)3) |
cffe0 | 31 37 28 32 37 29 31 34 28 32 30 28 32 33 29 33 30 29 31 39 28 32 39 29 32 32 28 31 30 2c 33 32 | 17(27)14(20(23)30)19(29)22(10,32 |
d0000 | 29 31 38 28 31 33 29 32 38 2f 68 34 2d 36 2c 39 2d 31 30 2c 31 35 2c 32 35 2d 32 36 2c 33 30 2d | )18(13)28/h4-6,9-10,15,25-26,30- |
d0020 | 33 32 48 2c 37 2c 32 33 48 32 2c 31 2d 33 48 33 00 00 e4 03 00 00 07 5f 69 64 00 56 16 24 3a 2b | 32H,7,23H2,1-3H3......._id.V.$:+ |
d0040 | 72 ed 30 fb 00 01 8a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 | r.0.....warnings.......fingerpri |
d0060 | 6e 74 73 00 b9 02 00 00 04 4d 50 32 44 00 ae 02 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 | nts......MP2D......0.....8;1-1-1 |
d0080 | 3b 32 2d 32 2d 31 3b 00 02 31 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 | ;2-2-1;..1.....1;1-2-1;1-1-8;2-1 |
d00a0 | 2d 35 3b 32 2d 31 2d 38 3b 00 02 32 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 | -5;2-1-8;..2.!...1;1-1-1;1-1-8;2 |
d00c0 | 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 00 1b 00 00 00 38 3b 31 2d 31 2d 31 | -1-1;2-1-3;2-1-8;..3.....8;1-1-1 |
d00e0 | 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 1b 00 00 00 33 3b 31 2d 32 | ;1-1-3;2-1-1;2-2-3;..4.....3;1-2 |
d0100 | 2d 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 35 00 15 00 00 00 33 3b 31 | -3;1-1-8;2-1-1;2-3-3;..5.....3;1 |
d0120 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 | -2-3;2-2-3;2-1-8;..6.....3;1-2-3 |
d0140 | 3b 32 2d 32 2d 33 3b 00 02 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | ;2-2-3;..7.....3;1-2-3;2-2-3;2-1 |
d0160 | 2d 31 31 3b 00 02 38 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 34 2d 33 | -11;..8.....3;1-2-3;1-1-11;2-4-3 |
d0180 | 3b 32 2d 31 2d 31 33 3b 00 02 39 00 1c 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d | ;2-1-13;..9.....3;1-3-3;2-4-3;2- |
d01a0 | 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d | 1-8;2-1-11;..10.....3;1-3-3;2-4- |
d01c0 | 33 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b | 3;2-1-11;..11.....3;1-2-3;2-3-3; |
d01e0 | 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 | ..12.....3;1-2-3;2-2-3;..13..... |
d0200 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-2-3;2-2-3;..14.....3;1-2-3;2 |
d0220 | 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 35 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | -2-3;2-1-11;..15.....3;1-2-3;1-1 |
d0240 | 2d 31 31 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 31 36 00 17 00 00 00 31 31 3b 31 2d 32 | -11;2-4-3;2-1-13;..16.....11;1-2 |
d0260 | 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 34 2d 33 3b 00 02 31 37 00 11 00 00 00 31 33 3b 31 2d 31 2d | -3;1-1-13;2-4-3;..17.....13;1-1- |
d0280 | 31 31 3b 32 2d 32 2d 33 3b 00 02 31 38 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b | 11;2-2-3;..18.....1;1-1-1;1-1-5; |
d02a0 | 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 39 00 0f 00 00 00 35 3b 31 2d 32 2d 31 3b 32 2d 33 | 2-2-1;2-1-8;..19.....5;1-2-1;2-3 |
d02c0 | 2d 31 3b 00 02 32 30 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b | -1;..20.....1;1-2-1;1-1-5;2-1-1; |
d02e0 | 00 02 32 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 32 | ..21.....1;1-1-1;2-1-1;2-1-5;..2 |
d0300 | 32 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 00 00 02 73 6d | 2.....1;1-1-1;2-1-1;2-1-5;....sm |
d0320 | 69 6c 65 73 00 24 00 00 00 4f 43 28 43 4f 63 31 63 63 63 63 32 63 31 63 31 63 63 63 63 63 31 5b | iles.$...OC(COc1cccc2c1c1ccccc1[ |
d0340 | 6e 48 5d 32 29 43 4e 43 28 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 7d 8c 7d 46 50 01 00 | nH]2)CNC(C)C..updated_at.}.}FP.. |
d0360 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 6c 85 7d 46 50 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at.l.}FP....default_fi |
d0380 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 69 6e 63 68 69 00 77 00 00 00 49 6e | ngerprint_size......inchi.w...In |
d03a0 | 43 68 49 3d 31 53 2f 43 31 38 48 32 32 4e 32 4f 32 2f 63 31 2d 31 32 28 32 29 31 39 2d 31 30 2d | ChI=1S/C18H22N2O2/c1-12(2)19-10- |
d03c0 | 31 33 28 32 31 29 31 31 2d 32 32 2d 31 37 2d 39 2d 35 2d 38 2d 31 36 2d 31 38 28 31 37 29 31 34 | 13(21)11-22-17-9-5-8-16-18(17)14 |
d03e0 | 2d 36 2d 33 2d 34 2d 37 2d 31 35 28 31 34 29 32 30 2d 31 36 2f 68 33 2d 39 2c 31 32 2d 31 33 2c | -6-3-4-7-15(14)20-16/h3-9,12-13, |
d0400 | 31 39 2d 32 31 48 2c 31 30 2d 31 31 48 32 2c 31 2d 32 48 33 00 00 7a 03 00 00 07 5f 69 64 00 56 | 19-21H,10-11H2,1-2H3..z...._id.V |
d0420 | 16 24 3a 2b 72 ed 30 fb 00 01 8b 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | .$:+r.0.....warnings.......finge |
d0440 | 72 70 72 69 6e 74 73 00 66 02 00 00 04 4d 50 32 44 00 5b 02 00 00 02 30 00 0f 00 00 00 31 3b 31 | rprints.f....MP2D.[....0.....1;1 |
d0460 | 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 31 00 0f 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 32 2d 31 | -1-5;2-2-1;..1.....5;1-3-1;2-2-1 |
d0480 | 3b 00 02 32 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 | ;..2.....1;1-2-1;1-1-5;2-2-1;2-1 |
d04a0 | 2d 31 39 3b 00 02 33 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 | -19;..3."...1;1-1-1;1-1-19;2-1-1 |
d04c0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 00 02 34 00 1c 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d | ;2-2-3;2-1-5;..4.....19;1-1-1;1- |
d04e0 | 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 34 2d 33 3b 00 02 35 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b | 2-3;2-1-1;2-4-3;..5.#...3;1-2-3; |
d0500 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 36 00 16 00 | 1-1-19;2-1-1;2-3-3;2-1-10;..6... |
d0520 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 0f 00 00 00 33 | ..3;1-2-3;2-2-3;2-1-19;..7.....3 |
d0540 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | ;1-2-3;2-2-3;..8.....3;1-2-3;2-2 |
d0560 | 2d 33 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b | -3;..9.....3;1-2-3;2-2-3;2-1-10; |
d0580 | 00 02 31 30 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 33 2d 33 3b 32 2d | ..10.....3;1-2-3;1-1-10;2-3-3;2- |
d05a0 | 31 2d 31 39 3b 00 02 31 31 00 10 00 00 00 31 30 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 | 1-19;..11.....10;1-2-3;2-4-3;..1 |
d05c0 | 32 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 | 2.....3;1-2-3;1-1-10;2-3-3;2-1-1 |
d05e0 | 39 3b 00 02 31 33 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b | 9;..13.#...3;1-2-3;1-1-19;2-1-1; |
d0600 | 32 2d 33 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 2-3-3;2-1-10;..14.....3;1-2-3;2- |
d0620 | 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-3;2-1-19;..15.....3;1-2-3;2-2- |
d0640 | 33 3b 00 02 31 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 37 00 16 00 | 3;..16.....3;1-2-3;2-2-3;..17... |
d0660 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 38 00 15 00 00 00 | ..3;1-2-3;2-2-3;2-1-10;..18..... |
d0680 | 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 39 00 0f 00 00 00 31 3b 31 | 1;1-1-1;2-1-1;2-1-5;..19.....1;1 |
d06a0 | 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 00 00 02 73 6d 69 6c 65 73 00 1f 00 00 00 43 4e 28 43 28 43 | -1-5;2-2-1;....smiles.....CN(C(C |
d06c0 | 4e 31 63 32 63 63 63 63 63 32 53 63 32 63 31 63 63 63 63 32 29 43 29 43 00 09 75 70 64 61 74 65 | N1c2ccccc2Sc2c1cccc2)C)C..update |
d06e0 | 64 5f 61 74 00 89 8c 7d 46 50 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 8c 85 7d 46 50 01 00 | d_at...}FP....created_at...}FP.. |
d0700 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 00 00 00 00 02 | ..default_fingerprint_size...... |
d0720 | 69 6e 63 68 69 00 65 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 37 48 32 30 4e 32 53 2f 63 31 2d | inchi.e...InChI=1S/C17H20N2S/c1- |
d0740 | 31 33 28 31 38 28 32 29 33 29 31 32 2d 31 39 2d 31 34 2d 38 2d 34 2d 36 2d 31 30 2d 31 36 28 31 | 13(18(2)3)12-19-14-8-4-6-10-16(1 |
d0760 | 34 29 32 30 2d 31 37 2d 31 31 2d 37 2d 35 2d 39 2d 31 35 28 31 37 29 31 39 2f 68 34 2d 31 31 2c | 4)20-17-11-7-5-9-15(17)19/h4-11, |
d0780 | 31 33 48 2c 31 32 48 32 2c 31 2d 33 48 33 00 00 | 13H,12H2,1-3H3.. |