ofs | hex dump | ascii |
---|
0000 | 0c 06 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 01 04 77 61 72 6e 69 6e 67 73 00 05 | ....._id.V..4+r.5o....warnings.. |
0020 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 91 03 00 00 04 4d 50 32 44 00 86 03 00 00 | .....fingerprints......MP2D..... |
0040 | 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 |
0060 | 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 |
0080 | 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 1c 00 | ;1-1-8;2-1-1;2-2-3;2-1-19;..3... |
00a0 | 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 30 3b 00 02 34 | ..3;1-2-3;2-2-3;2-1-8;2-1-10;..4 |
00c0 | 00 29 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 | .)...3;1-2-3;1-1-10;2-1-1;2-2-3; |
00e0 | 32 2d 32 2d 39 3b 32 2d 31 2d 33 32 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 | 2-2-9;2-1-32;..5.....3;1-1-1;1-2 |
0100 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-2-3;2-1-10;..6.....3;1-2-3; |
0120 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 22 00 00 00 33 3b 31 2d 32 | 2-1-1;2-2-3;2-1-19;..7."...3;1-2 |
0140 | 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 38 00 | -3;1-1-19;2-2-3;2-1-6;2-1-8;..8. |
0160 | 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;. |
0180 | 02 39 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 3b 32 2d 32 2d | .9.....6;1-1-2;1-1-19;2-1-2;2-2- |
01a0 | 33 3b 00 02 31 30 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 32 | 3;..10.....2;1-1-2;1-1-3;1-1-6;2 |
01c0 | 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 31 00 21 00 00 | -1-2;2-2-3;2-1-9;2-1-19;..11.!.. |
01e0 | 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 |
0200 | 3b 00 02 31 32 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 02 31 33 00 1b 00 00 | ;..12.....9;1-1-2;2-2-2;..13.... |
0220 | 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 3b 00 02 31 34 00 | .2;1-2-2;2-1-2;2-1-3;2-1-9;..14. |
0240 | 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 32 2d 33 3b 00 02 | ....2;1-1-2;1-1-3;2-1-2;2-2-3;.. |
0260 | 31 35 00 1b 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 | 15.....3;1-1-2;1-2-3;2-2-2;2-2-3 |
0280 | 3b 00 02 31 36 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 | ;..16.!...3;1-1-2;1-2-3;2-2-2;2- |
02a0 | 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 | 2-3;2-1-6;..17.....3;1-2-3;2-1-2 |
02c0 | 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 32 2d 33 3b 32 2d | ;2-2-3;..18.....3;1-2-3;2-2-3;2- |
02e0 | 31 2d 31 30 3b 00 02 31 39 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 32 | 1-10;..19.#...3;1-2-3;1-1-10;2-2 |
0300 | 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 33 32 3b 00 02 32 30 00 1c 00 00 00 33 3b 31 2d 32 2d 33 | -3;2-2-9;2-1-32;..20.....3;1-2-3 |
0320 | 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 1d 00 00 00 31 30 3b | ;2-1-2;2-2-3;2-1-10;..21.....10; |
0340 | 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 31 2d 31 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 32 32 00 1d 00 | 1-1-3;1-2-9;1-1-32;2-2-3;..22... |
0360 | 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;.. |
0380 | 32 33 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 32 | 23.....32;1-1-10;2-1-3;2-2-9;..2 |
03a0 | 34 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 35 00 04 00 00 00 32 31 3b | 4.....1;1-1-3;2-2-3;..25.....21; |
03c0 | 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f | ....dataset_ids......0.V..4+r.5o |
03e0 | 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 | ....1.V..:+r.5o....2.V..;+r.5o.. |
0400 | c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 | ..3.V..<+r.5o....4.V..=+r.5o.... |
0420 | 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 | 5.V..>+r.5o....6.V..?+r.5o....7. |
0440 | 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba | V..@+r.5o....8.V..A+r.5o....9.V. |
0460 | 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 | .B+r.5o....10.V..C+r.5o.....feat |
0480 | 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 | ures./....56ba0c342b72ed356f0000 |
04a0 | 30 30 00 10 00 00 00 01 30 00 a6 42 14 56 aa 20 1e 40 00 00 02 73 6d 69 6c 65 73 00 4e 00 00 00 | 00......0..B.V...@...smiles.N... |
04c0 | 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 31 63 63 63 | COc1cc(c(cc1NN=C1C(=O)C=Cc2c1ccc |
04e0 | 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 29 5b 4f 2d | (c2)S(=O)(=O)[O-])C)S(=O)(=O)[O- |
0500 | 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 7c ea bf c6 52 01 | ].[Na+].[Na+]..updated_at.|...R. |
0520 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 3e ac bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at.>...R....default_f |
0540 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 1a 00 00 00 02 69 6e 63 68 69 00 ac 00 00 00 49 | ingerprint_size......inchi.....I |
0560 | 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 31 30 2d 37 | nChI=1S/C18H16N2O8S2.2Na/c1-10-7 |
0580 | 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 29 32 37 29 | -14(16(28-2)9-17(10)30(25,26)27) |
05a0 | 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 32 34 29 38 | 19-20-18-13-5-4-12(29(22,23)24)8 |
05c0 | 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 39 48 2c 31 | -11(13)3-6-15(18)21;;/h3-9,19H,1 |
05e0 | 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 29 3b 3b 2f | -2H3,(H,22,23,24)(H,25,26,27);;/ |
0600 | 71 3b 32 2a 2b 31 2f 70 2d 32 00 00 b6 03 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 | q;2*+1/p-2......._id.V..4+r.5o.. |
0620 | 03 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b6 01 | ..warnings.......fingerprints... |
0640 | 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 2d 31 2d 31 | ...MP2D......0.....8;1-1-1;2-1-1 |
0660 | 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 32 2d 31 | ;..1.....1;1-1-1;1-1-8;2-1-1;2-1 |
0680 | 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 32 3b 32 | -8;..2.....1;1-2-1;1-1-8;2-1-2;2 |
06a0 | 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 2d 31 2d 38 | -2-8;..3.-...1;1-1-1;1-1-2;1-1-8 |
06c0 | 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 00 21 00 00 | ;2-1-1;2-2-2;2-1-8;2-1-9;..4.!.. |
06e0 | 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 2d 31 2d 39 | .8;1-1-1;1-1-2;2-1-1;2-2-2;2-1-9 |
0700 | 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 3b 32 2d 31 | ;..5.'...2;1-1-2;1-1-8;1-1-9;2-1 |
0720 | 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 2d 32 3b 32 | -1;2-1-2;2-1-9;..6.....9;1-1-2;2 |
0740 | 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 2d 31 2d 39 | -1-2;2-1-8;..7.!...2;1-2-2;1-1-9 |
0760 | 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 3b 31 2d 31 | ;2-1-1;2-1-8;2-2-9;..8.-...2;1-1 |
0780 | 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 2d 31 2d 38 | -1;1-1-2;1-1-9;2-1-1;2-1-2;2-1-8 |
07a0 | 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 3b 32 2d 31 | ;2-1-9;..9.....9;1-1-2;2-1-1;2-1 |
07c0 | 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 31 31 00 0f | -2;..10.....9;1-1-2;2-2-2;..11.. |
07e0 | 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 | ...8;1-1-1;2-2-1;....dataset_ids |
0800 | 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f | ......0.V..4+r.5o....1.V..:+r.5o |
0820 | 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 | ....2.V..;+r.5o....3.V..;+r.5o.. |
0840 | c5 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 | ..4.V..<+r.5o....5.V..=+r.5o.... |
0860 | 36 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 38 00 | 6.V..>+r.5o....7.V..?+r.5o....8. |
0880 | 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 39 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 31 30 00 56 | V..@+r.5o....9.V..A+r.5o....10.V |
08a0 | ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 | ..A+r.5o....11.V..B+r.5o....12.V |
08c0 | ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 | ..C+r.5o.....features.:....56ba0 |
08e0 | 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 45 f1 d3 d2 b0 | c342b72ed356f000000......0.E.... |
0900 | 52 31 40 01 31 00 d7 23 d6 97 8a a5 21 40 00 00 02 73 6d 69 6c 65 73 00 17 00 00 00 4f 43 43 28 | R1@.1..#....!@...smiles.....OCC( |
0920 | 43 31 4f 43 28 3d 4f 29 43 28 3d 43 31 4f 29 4f 29 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 0b | C1OC(=O)C(=C1O)O)O..updated_at.. |
0940 | ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 45 ac bf c6 52 01 00 00 10 64 65 66 61 | ...R....created_at.E...R....defa |
0960 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0c 00 00 00 02 69 6e 63 68 69 00 | ult_fingerprint_size......inchi. |
0980 | 3d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 38 4f 36 2f 63 37 2d 31 2d 32 28 38 29 35 2d 33 | =...InChI=1S/C6H8O6/c7-1-2(8)5-3 |
09a0 | 28 39 29 34 28 31 30 29 36 28 31 31 29 31 32 2d 35 2f 68 32 2c 35 2c 37 2d 31 30 48 2c 31 48 32 | (9)4(10)6(11)12-5/h2,5,7-10H,1H2 |
09c0 | 00 00 68 04 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 04 04 77 61 72 6e 69 6e 67 73 | ..h...._id.V..4+r.5o....warnings |
09e0 | 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 32 44 00 0c 02 | .......fingerprints......MP2D... |
0a00 | 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 38 | ...0.....1;1-1-8;2-1-2;..1.....8 |
0a20 | 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 00 21 00 00 | ;1-1-1;1-1-2;2-1-2;2-1-9;..2.!.. |
0a40 | 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 |
0a60 | 3b 00 02 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 | ;..3.....9;1-1-2;2-1-2;2-1-8;..4 |
0a80 | 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 32 2d 31 2d 38 3b 32 | .!...2;1-1-1;1-2-2;2-1-2;2-1-8;2 |
0aa0 | 2d 31 2d 39 3b 00 02 35 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 | -1-9;..5.....2;1-2-2;2-1-1;2-2-2 |
0ac0 | 3b 00 02 36 00 0f 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 32 2d 32 3b 00 02 37 00 15 00 00 00 32 | ;..6.....2;1-2-2;2-2-2;..7.....2 |
0ae0 | 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 32 2d 32 3b 00 02 38 00 1b 00 00 00 32 3b 31 2d 31 | ;1-1-1;1-2-2;2-2-2;..8.....2;1-1 |
0b00 | 2d 31 3b 31 2d 32 2d 32 3b 32 2d 35 2d 31 3b 32 2d 31 2d 32 3b 00 02 39 00 1b 00 00 00 32 3b 31 | -1;1-2-2;2-5-1;2-1-2;..9.....2;1 |
0b20 | 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 30 00 15 00 00 00 | -2-1;1-1-2;2-2-1;2-1-2;..10..... |
0b40 | 31 3b 31 2d 31 2d 32 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 | 1;1-1-2;2-1-1;2-1-2;..11.....1;1 |
0b60 | 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 32 00 15 00 00 00 | -1-1;1-1-2;2-2-1;2-1-2;..12..... |
0b80 | 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 33 00 15 00 00 00 31 3b 31 | 1;1-2-1;2-1-1;2-1-2;..13.....1;1 |
0ba0 | 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 34 00 1b 00 00 00 31 3b 31 2d 33 2d | -2-1;2-3-1;2-1-2;..14.....1;1-3- |
0bc0 | 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 15 00 00 00 31 3b 31 | 1;1-1-2;2-1-1;2-2-2;..15.....1;1 |
0be0 | 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 36 00 0f 00 00 00 31 3b 31 2d 31 2d | -1-1;2-2-1;2-1-2;..16.....1;1-1- |
0c00 | 32 3b 32 2d 32 2d 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 | 2;2-2-2;....dataset_ids......0.V |
0c20 | ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c | ..4+r.5o....1.V..:+r.5o....2.V.. |
0c40 | 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b | ;+r.5o....3.V..<+r.5o....4.V..=+ |
0c60 | 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed | r.5o....5.V..>+r.5o....6.V..?+r. |
0c80 | 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 00 56 ba 0c 41 2b 72 ed 35 6f | 5o....7.V..@+r.5o....8.V..A+r.5o |
0ca0 | 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 | ....9.V..B+r.5o....10.V..C+r.5o. |
0cc0 | 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 | ....features./....56ba0c342b72ed |
0ce0 | 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 f2 ae 2a 2a 1a e9 f1 3f 00 00 02 73 6d 69 | 356f000000......0...**...?...smi |
0d00 | 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 43 3d 43 | les.<...COC(=O)C(=CC=CC(=CC=CC=C |
0d20 | 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 29 43 29 | (C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C) |
0d40 | 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 ec e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 | C)C..updated_at.....R....created |
0d60 | 5f 61 74 00 4c ac bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at.L...R....default_fingerprint |
0d80 | 5f 73 69 7a 65 00 11 00 00 00 02 69 6e 63 68 69 00 94 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 | _size......inchi.....InChI=1S/C3 |
0da0 | 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 31 38 2d | 1H42O2/c1-24(14-9-10-15-25(2)18- |
0dc0 | 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 37 2d 32 | 12-19-28(5)30(32)33-8)16-11-17-2 |
0de0 | 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 28 32 39 | 6(3)21-22-29-27(4)20-13-23-31(29 |
0e00 | 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 2c 32 33 | ,6)7/h9-12,14-19,21-22H,13,20,23 |
0e20 | 48 32 2c 31 2d 38 48 33 00 00 86 02 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 05 04 | H2,1-8H3......._id.V..4+r.5o.... |
0e40 | 77 61 72 6e 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 | warnings.......fingerprints..... |
0e60 | 04 4d 50 32 44 00 91 00 00 00 02 30 00 15 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 |
0e80 | 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 32 2d 33 | -1-3;..1.....1;1-2-1;1-1-3;2-2-3 |
0ea0 | 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 32 2d 32 | ;..2.....3;1-1-1;1-2-3;2-2-1;2-2 |
0ec0 | 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 33 3b 00 | -3;..3.....3;1-2-3;2-1-1;2-2-3;. |
0ee0 | 02 34 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 | .4.....3;1-2-3;2-2-3;....dataset |
0f00 | 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b | _ids......0.V..4+r.5o....1.V..:+ |
0f20 | 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed | r.5o....2.V..;+r.5o....3.V..<+r. |
0f40 | 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f | 5o....4.V..=+r.5o....5.V..>+r.5o |
0f60 | 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 | ....6.V..?+r.5o....7.V..@+r.5o.. |
0f80 | ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 39 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 | ..8.V..A+r.5o....9.V..A+r.5o.... |
0fa0 | 31 30 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 | 10.V..B+r.5o....11.V..B+r.5o.... |
0fc0 | 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 | 12.V..C+r.5o.....features.:....5 |
0fe0 | 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 b2 | 6ba0c342b72ed356f000000......0.. |
1000 | 1a 26 63 3b c0 0e 40 01 31 00 3d 3d 5d f3 0f 08 06 40 00 00 02 73 6d 69 6c 65 73 00 0e 00 00 00 | .&c;..@.1.==]....@...smiles..... |
1020 | 43 43 28 63 31 63 63 63 63 63 31 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 73 ea bf c6 52 01 | CC(c1ccccc1)C..updated_at.s...R. |
1040 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 52 ac bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at.R...R....default_f |
1060 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 05 00 00 00 02 69 6e 63 68 69 00 30 00 00 00 49 | ingerprint_size......inchi.0...I |
1080 | 6e 43 68 49 3d 31 53 2f 43 39 48 31 32 2f 63 31 2d 38 28 32 29 39 2d 36 2d 34 2d 33 2d 35 2d 37 | nChI=1S/C9H12/c1-8(2)9-6-4-3-5-7 |
10a0 | 2d 39 2f 68 33 2d 38 48 2c 31 2d 32 48 33 00 00 46 03 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed | -9/h3-8H,1-2H3..F...._id.V..4+r. |
10c0 | 35 6f 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 | 5o....warnings.......fingerprint |
10e0 | 73 00 46 01 00 00 04 4d 50 32 44 00 3b 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 | s.F....MP2D.;....0.....1;1-1-1;2 |
1100 | 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 15 | -1-1;..1.....1;1-2-1;2-1-1;..2.. |
1120 | 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 00 31 | ...1;1-2-1;2-1-1;2-1-8;..3.....1 |
1140 | 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 21 00 00 | ;1-1-1;1-1-8;2-1-1;2-1-2;..4.!.. |
1160 | 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 39 | .8;1-1-1;1-1-2;2-1-1;2-1-3;2-1-9 |
1180 | 3b 00 02 35 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 | ;..5.!...2;1-1-3;1-1-8;1-1-9;2-1 |
11a0 | 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 | -1;2-2-3;..6.....9;1-1-2;2-1-3;2 |
11c0 | 2d 31 2d 38 3b 00 02 37 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 | -1-8;..7.'...3;1-1-2;1-2-3;2-1-2 |
11e0 | 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 32 | ;2-2-3;2-1-8;2-1-9;..8.....3;1-2 |
1200 | 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 32 2d 33 3b 32 | -3;2-1-2;2-2-3;..9.....3;1-2-3;2 |
1220 | 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 | -2-3;....dataset_ids......0.V..4 |
1240 | 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 | +r.5o....1.V..:+r.5o....2.V..;+r |
1260 | ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 | .5o....3.V..<+r.5o....4.V..=+r.5 |
1280 | 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 | o....5.V..>+r.5o....6.V..?+r.5o. |
12a0 | 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf | ...7.V..@+r.5o....8.V..A+r.5o... |
12c0 | 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 | .9.V..B+r.5o....10.V..C+r.5o.... |
12e0 | 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 | .features./....56ba0c342b72ed356 |
1300 | 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 c8 da fe 79 b0 3e 01 40 00 00 02 73 6d 69 6c 65 73 | f000000......0....y.>.@...smiles |
1320 | 00 1d 00 00 00 43 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 | .....CCCCOC(=O)c1ccccc1C(=O)OCCC |
1340 | 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 12 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 | C..updated_at.....R....created_a |
1360 | 74 00 57 ac bf c6 52 01 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.W...R....default_fingerprint_s |
1380 | 69 7a 65 00 0a 00 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 | ize......inchi.b...InChI=1S/C16H |
13a0 | 32 32 4f 34 2f 63 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 | 22O4/c1-3-5-11-19-15(17)13-9-7-8 |
13c0 | 2d 31 30 2d 31 34 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 | -10-14(13)16(18)20-12-6-4-2/h7-1 |
13e0 | 30 48 2c 33 2d 36 2c 31 31 2d 31 32 48 32 2c 31 2d 32 48 33 00 00 f6 02 00 00 07 5f 69 64 00 56 | 0H,3-6,11-12H2,1-2H3......._id.V |
1400 | ba 0c 34 2b 72 ed 35 6f 00 00 07 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..4+r.5o....warnings.......finge |
1420 | 72 70 72 69 6e 74 73 00 0e 01 00 00 04 4d 50 32 44 00 03 01 00 00 02 30 00 0f 00 00 00 31 3b 31 | rprints......MP2D......0.....1;1 |
1440 | 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 |
1460 | 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 31 2d 32 3b 32 2d 31 | ;2-1-2;..2.!...8;1-1-1;1-1-2;2-1 |
1480 | 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 31 2d 31 2d 33 3b 31 | -1;2-1-3;2-1-9;..3.!...2;1-1-3;1 |
14a0 | 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 34 00 15 00 00 00 39 | -1-8;1-1-9;2-1-1;2-2-3;..4.....9 |
14c0 | 3b 31 2d 31 2d 32 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 | ;1-1-2;2-1-3;2-1-8;..5.'...3;1-1 |
14e0 | 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 39 | -2;1-2-3;2-1-2;2-2-3;2-1-8;2-1-9 |
1500 | 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 3b 00 02 37 | ;..6.....3;1-2-3;2-1-2;2-2-3;..7 |
1520 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 | .....3;1-2-3;2-2-3;....dataset_i |
1540 | 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed | ds......0.V..4+r.5o....1.V..:+r. |
1560 | 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f | 5o....2.V..;+r.5o....3.V..<+r.5o |
1580 | 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 | ....4.V..=+r.5o....5.V..>+r.5o.. |
15a0 | ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 | ..6.V..?+r.5o....7.V..@+r.5o.... |
15c0 | 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 | 8.V..A+r.5o....9.V..B+r.5o....10 |
15e0 | 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 | .V..C+r.5o.....features./....56b |
1600 | 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 9c 40 79 | a0c342b72ed356f000000......0..@y |
1620 | ce c6 f4 33 40 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 43 43 4f 43 28 3d 4f 29 63 31 63 63 63 | ...3@...smiles.....CCOC(=O)c1ccc |
1640 | 63 63 31 43 28 3d 4f 29 4f 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 bd e9 bf c6 52 01 00 00 | cc1C(=O)OCC..updated_at.....R... |
1660 | 09 63 72 65 61 74 65 64 5f 61 74 00 5d ac bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.]...R....default_fin |
1680 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 08 00 00 00 02 69 6e 63 68 69 00 4e 00 00 00 49 6e 43 | gerprint_size......inchi.N...InC |
16a0 | 68 49 3d 31 53 2f 43 31 32 48 31 34 4f 34 2f 63 31 2d 33 2d 31 35 2d 31 31 28 31 33 29 39 2d 37 | hI=1S/C12H14O4/c1-3-15-11(13)9-7 |
16c0 | 2d 35 2d 36 2d 38 2d 31 30 28 39 29 31 32 28 31 34 29 31 36 2d 34 2d 32 2f 68 35 2d 38 48 2c 33 | -5-6-8-10(9)12(14)16-4-2/h5-8H,3 |
16e0 | 2d 34 48 32 2c 31 2d 32 48 33 00 00 4c 03 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 | -4H2,1-2H3..L...._id.V..4+r.5o.. |
1700 | 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 74 01 | ..warnings.......fingerprints.t. |
1720 | 00 00 04 4d 50 32 44 00 69 01 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 | ...MP2D.i....0.....1;1-1-1;2-1-1 |
1740 | 3b 32 2d 31 2d 38 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 32 | ;2-1-8;..1.....1;1-2-1;1-1-8;2-2 |
1760 | 2d 31 3b 00 02 32 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 | -1;..2.....8;1-2-1;2-3-1;2-1-8;. |
1780 | 02 33 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 38 3b 32 2d 32 2d 31 3b 00 02 34 00 0f | .3.....1;1-1-1;1-2-8;2-2-1;..4.. |
17a0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 38 3b 00 02 35 00 15 00 00 00 38 3b 31 2d 32 2d 31 | ...1;1-1-1;2-2-8;..5.....8;1-2-1 |
17c0 | 3b 32 2d 32 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 32 | ;2-2-1;2-2-8;..6.....1;1-1-1;1-2 |
17e0 | 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 37 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 | -8;2-2-1;2-1-2;..7.....1;1-2-1;2 |
1800 | 2d 31 2d 31 3b 32 2d 33 2d 38 3b 00 02 38 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | -1-1;2-3-8;..8.!...8;1-1-1;1-1-2 |
1820 | 3b 32 2d 32 2d 31 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 | ;2-2-1;2-1-8;2-1-9;..9.....2;1-1 |
1840 | 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 00 02 31 30 00 15 00 00 00 39 3b | -1;1-1-8;1-1-9;2-1-1;..10.....9; |
1860 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 31 00 15 00 00 00 31 3b 31 2d 31 | 1-1-2;2-1-1;2-1-8;..11.....1;1-1 |
1880 | 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab | -2;2-1-8;2-1-9;....dataset_ids.. |
18a0 | 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 | ....0.V..4+r.5o....1.V..:+r.5o.. |
18c0 | c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 | ..2.V..:+r.5o....3.V..<+r.5o.... |
18e0 | 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 | 4.V..=+r.5o....5.V..>+r.5o....6. |
1900 | 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba | V..?+r.5o....7.V..@+r.5o....8.V. |
1920 | 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c | .A+r.5o....9.V..B+r.5o....10.V.. |
1940 | 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 | C+r.5o.....features./....56ba0c3 |
1960 | 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 10 11 a3 ba 7d f6 e6 | 42b72ed356f000000......0.....}.. |
1980 | 3f 00 00 02 73 6d 69 6c 65 73 00 16 00 00 00 43 43 31 4f 43 28 43 29 4f 43 28 43 31 29 4f 43 28 | ?...smiles.....CC1OC(C)OC(C1)OC( |
19a0 | 3d 4f 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 aa e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 | =O)C..updated_at.....R....create |
19c0 | 64 5f 61 74 00 62 ac bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.b...R....default_fingerprin |
19e0 | 74 5f 73 69 7a 65 00 0c 00 00 00 02 69 6e 63 68 69 00 41 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.A...InChI=1S/C |
1a00 | 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 29 | 8H14O4/c1-5-4-8(11-6(2)9)12-7(3) |
1a20 | 31 30 2d 35 2f 68 35 2c 37 2d 38 48 2c 34 48 32 2c 31 2d 33 48 33 00 00 74 02 00 00 07 5f 69 64 | 10-5/h5,7-8H,4H2,1-3H3..t...._id |
1a40 | 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 09 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..4+r.5o....warnings.......fin |
1a60 | 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 00 00 00 31 | gerprints......MP2D......0.....1 |
1a80 | 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 32 | ;1-1-3;2-2-3;..1.....3;1-1-1;1-2 |
1aa0 | 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 32 | -3;2-2-3;2-1-8;..2.....3;1-2-3;2 |
1ac0 | 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 33 | -1-1;2-2-3;..3.....3;1-2-3;2-2-3 |
1ae0 | 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 31 3b 32 2d 32 | ;..4.....3;1-2-3;1-1-8;2-2-1;2-2 |
1b00 | 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 00 00 04 64 61 74 | -3;..5.....8;1-1-3;2-2-3;....dat |
1b20 | 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 | aset_ids......0.V..4+r.5o....1.V |
1b40 | ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c | ..:+r.5o....2.V..;+r.5o....3.V.. |
1b60 | 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3e 2b | <+r.5o....4.V..<+r.5o....5.V..>+ |
1b80 | 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed | r.5o....6.V..?+r.5o....7.V..@+r. |
1ba0 | 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f | 5o....8.V..A+r.5o....9.V..B+r.5o |
1bc0 | 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 | ....10.V..C+r.5o.....features./. |
1be0 | 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 | ...56ba0c342b72ed356f000000..... |
1c00 | 01 30 00 d1 a3 31 39 7d 25 a9 3f 00 00 02 73 6d 69 6c 65 73 00 0e 00 00 00 43 63 31 63 63 63 63 | .0...19}%.?...smiles.....Cc1cccc |
1c20 | 28 63 31 4f 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 35 e9 bf c6 52 01 00 00 09 63 72 65 61 | (c1O)C..updated_at.5...R....crea |
1c40 | 74 65 64 5f 61 74 00 67 ac bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at.g...R....default_fingerpr |
1c60 | 69 6e 74 5f 73 69 7a 65 00 06 00 00 00 02 69 6e 63 68 69 00 33 00 00 00 49 6e 43 68 49 3d 31 53 | int_size......inchi.3...InChI=1S |
1c80 | 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 2f 68 33 2d | /C8H10O/c1-6-4-3-5-7(2)8(6)9/h3- |
1ca0 | 35 2c 39 48 2c 31 2d 32 48 33 00 00 98 02 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 | 5,9H,1-2H3......._id.V..4+r.5o.. |
1cc0 | 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 6e 74 73 00 d4 00 | ..warnings.......fingerprints... |
1ce0 | 00 00 04 4d 50 32 44 00 c9 00 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | ...MP2D......0.....8;1-1-3;2-2-3 |
1d00 | 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 3b 00 02 32 | ;..1.....3;1-2-3;1-1-8;2-2-3;..2 |
1d20 | 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 00 15 00 00 | .....3;1-2-3;2-2-3;2-1-8;..3.... |
1d40 | 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 00 33 3b 31 | .3;1-2-3;2-1-1;2-2-3;..4.....3;1 |
1d60 | 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 00 00 00 33 | -1-1;1-2-3;2-1-1;2-2-3;..5.....3 |
1d80 | 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 36 00 0f 00 00 | ;1-2-3;2-1-1;2-2-3;2-1-8;..6.... |
1da0 | 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab | .1;1-1-3;2-2-3;....dataset_ids.. |
1dc0 | 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 | ....0.V..4+r.5o....1.V..:+r.5o.. |
1de0 | c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 | ..2.V..;+r.5o....3.V..<+r.5o.... |
1e00 | 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 | 4.V..=+r.5o....5.V..>+r.5o....6. |
1e20 | 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 00 56 ba | V..?+r.5o....7.V..@+r.5o....8.V. |
1e40 | 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c | .A+r.5o....9.V..B+r.5o....10.V.. |
1e60 | 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 | C+r.5o.....features./....56ba0c3 |
1e80 | 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 74 94 64 6d 67 56 bd | 42b72ed356f000000......0.t.dmgV. |
1ea0 | 3f 00 00 02 73 6d 69 6c 65 73 00 10 00 00 00 4f 63 31 63 63 63 28 63 28 63 31 29 43 29 43 00 09 | ?...smiles.....Oc1ccc(c(c1)C)C.. |
1ec0 | 75 70 64 61 74 65 64 5f 61 74 00 de e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 6c | updated_at.....R....created_at.l |
1ee0 | ac bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | ...R....default_fingerprint_size |
1f00 | 00 07 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 31 30 4f 2f | ......inchi.3...InChI=1S/C8H10O/ |
1f20 | 63 31 2d 36 2d 33 2d 34 2d 38 28 39 29 35 2d 37 28 36 29 32 2f 68 33 2d 35 2c 39 48 2c 31 2d 32 | c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2 |
1f40 | 48 33 00 00 9a 02 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 0b 04 77 61 72 6e 69 6e | H3......._id.V..4+r.5o....warnin |
1f60 | 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 44 00 | gs.......fingerprints......MP2D. |
1f80 | d5 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 15 00 00 | .....0.....1;1-1-1;2-1-8;..1.... |
1fa0 | 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 21 00 00 00 38 3b 31 | .1;1-1-1;1-1-8;2-1-2;..2.!...8;1 |
1fc0 | 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 33 | -1-1;1-1-2;2-1-1;2-1-2;2-1-9;..3 |
1fe0 | 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 3b 32 | .!...2;1-1-2;1-1-8;1-1-9;2-1-1;2 |
2000 | 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 32 3b 32 2d 31 2d 38 | -1-2;..4.....9;1-1-2;2-1-2;2-1-8 |
2020 | 3b 00 02 35 00 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 | ;..5.....2;1-2-2;2-1-8;2-1-9;..6 |
2040 | 00 0f 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 | .....2;1-1-2;2-1-2;....dataset_i |
2060 | 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed | ds......0.V..4+r.5o....1.V..:+r. |
2080 | 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f | 5o....2.V..;+r.5o....3.V..<+r.5o |
20a0 | 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 | ....4.V..=+r.5o....5.V..>+r.5o.. |
20c0 | ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 | ..6.V..?+r.5o....7.V..@+r.5o.... |
20e0 | 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 | 8.V..A+r.5o....9.V..B+r.5o....10 |
2100 | 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 | .V..C+r.5o.....features./....56b |
2120 | 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 fe d6 04 | a0c342b72ed356f000000......0.... |
2140 | 0d 2a d1 03 40 00 00 02 73 6d 69 6c 65 73 00 0c 00 00 00 43 43 4f 43 28 3d 4f 29 43 3d 43 00 09 | .*..@...smiles.....CCOC(=O)C=C.. |
2160 | 75 70 64 61 74 65 64 5f 61 74 00 d9 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 71 | updated_at.....R....created_at.q |
2180 | ac bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | ...R....default_fingerprint_size |
21a0 | 00 07 00 00 00 02 69 6e 63 68 69 00 2d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 38 4f 32 2f | ......inchi.-...InChI=1S/C5H8O2/ |
21c0 | 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 00 00 7d 02 | c1-3-5(6)7-4-2/h3H,1,4H2,2H3..}. |
21e0 | 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 0c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V..4+r.5o....warnings.... |
2200 | 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 02 30 | ...fingerprints......MP2D......0 |
2220 | 00 0f 00 00 00 31 3b 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 | .....1;1-1-1;2-1-3;..1.....1;1-1 |
2240 | 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 31 2d 31 3b 31 | -1;1-1-3;2-2-3;..2.....3;1-1-1;1 |
2260 | 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 33 | -2-3;2-1-1;2-2-3;..3.....3;1-2-3 |
2280 | 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 2d 33 3b 32 2d 32 | ;2-1-1;2-2-3;..4.....3;1-2-3;2-2 |
22a0 | 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 | -3;....dataset_ids......0.V..4+r |
22c0 | ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 | .5o....1.V..:+r.5o....2.V..:+r.5 |
22e0 | 6f 00 01 c3 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 | o....3.V..;+r.5o....4.V..<+r.5o. |
2300 | 01 c6 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca | ...5.V..=+r.5o....6.V..>+r.5o... |
2320 | 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 38 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 39 | .7.V..?+r.5o....8.V..@+r.5o....9 |
2340 | 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 30 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 31 | .V..A+r.5o....10.V..B+r.5o....11 |
2360 | 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 | .V..C+r.5o....12.V..C+r.5o.....f |
2380 | 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 | eatures.:....56ba0c342b72ed356f0 |
23a0 | 30 30 30 30 30 00 1b 00 00 00 01 30 00 d2 7c 7f d2 9d be 0e 40 01 31 00 07 39 e6 f9 99 ed 05 40 | 00000......0..|.....@.1..9.....@ |
23c0 | 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 09 75 70 64 61 74 65 | ...smiles.....CCc1ccccc1..update |
23e0 | 64 5f 61 74 00 c3 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 76 ac bf c6 52 01 00 | d_at.....R....created_at.v...R.. |
2400 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 05 00 00 00 02 | ..default_fingerprint_size...... |
2420 | 69 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 | inchi.0...InChI=1S/C8H10/c1-2-8- |
2440 | 36 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 00 59 02 00 00 07 | 6-4-3-5-7-8/h3-7H,2H2,1H3..Y.... |
2460 | 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 0d 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..4+r.5o....warnings....... |
2480 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 42 00 00 00 04 4d 50 32 44 00 37 00 00 00 02 30 00 0f 00 | fingerprints.B....MP2D.7....0... |
24a0 | 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 31 2d 31 3b | ..8;1-1-1;2-1-1;..1.....1;1-1-1; |
24c0 | 31 2d 31 2d 38 3b 32 2d 31 2d 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 eb 00 00 00 | 1-1-8;2-1-8;....dataset_ids..... |
24e0 | 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 | .0.V..4+r.5o....1.V..9+r.5o....2 |
2500 | 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 34 00 56 | .V..:+r.5o....3.V..;+r.5o....4.V |
2520 | ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 35 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 36 00 56 ba 0c | ..;+r.5o....5.V..<+r.5o....6.V.. |
2540 | 3c 2b 72 ed 35 6f 00 01 c7 07 37 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 38 00 56 ba 0c 3e 2b | <+r.5o....7.V..=+r.5o....8.V..>+ |
2560 | 72 ed 35 6f 00 01 ca 07 39 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 31 30 00 56 ba 0c 3f 2b 72 | r.5o....9.V..?+r.5o....10.V..?+r |
2580 | ed 35 6f 00 01 cc 07 31 31 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 32 00 56 ba 0c 41 2b 72 | .5o....11.V..@+r.5o....12.V..A+r |
25a0 | ed 35 6f 00 01 d0 07 31 33 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 34 00 56 ba 0c 43 2b 72 | .5o....13.V..B+r.5o....14.V..C+r |
25c0 | ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 5b 00 00 00 04 35 36 62 61 30 63 33 34 32 62 | .5o.....features.[....56ba0c342b |
25e0 | 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 3c 00 00 00 01 30 00 9a f0 a1 ec 84 1c 10 40 01 31 | 72ed356f000000.<....0........@.1 |
2600 | 00 c3 4d 36 14 3b c7 19 40 01 32 00 9a f0 a1 ec 84 1c 40 40 01 33 00 3a a6 71 8a 1d a5 2d 40 01 | ..M6.;..@.2.......@@.3.:.q...-@. |
2620 | 34 00 9a f0 a1 ec 84 1c 30 40 00 00 02 73 6d 69 6c 65 73 00 05 00 00 00 4f 43 43 4f 00 09 75 70 | 4.......0@...smiles.....OCCO..up |
2640 | 64 61 74 65 64 5f 61 74 00 ab e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 7b ac bf | dated_at.....R....created_at.{.. |
2660 | c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 02 | .R....default_fingerprint_size.. |
2680 | 00 00 00 02 69 6e 63 68 69 00 25 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 36 4f 32 2f 63 33 | ....inchi.%...InChI=1S/C2H6O2/c3 |
26a0 | 2d 31 2d 32 2d 34 2f 68 33 2d 34 48 2c 31 2d 32 48 32 00 00 c5 03 00 00 07 5f 69 64 00 56 ba 0c | -1-2-4/h3-4H,1-2H2......._id.V.. |
26c0 | 34 2b 72 ed 35 6f 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 | 4+r.5o....warnings.......fingerp |
26e0 | 72 69 6e 74 73 00 c7 01 00 00 04 4d 50 32 44 00 bc 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 | rints......MP2D......0.....1;1-1 |
2700 | 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 |
2720 | 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 32 2d 31 | -1-2;..2.....8;1-1-1;1-1-2;2-2-1 |
2740 | 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 3b 31 2d 31 | ;2-1-9;..3.!...2;1-1-1;1-1-8;1-1 |
2760 | 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 | -9;2-1-1;2-1-8;..4.....9;1-1-2;2 |
2780 | 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 21 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 | -1-1;2-1-8;..5.!...1;1-1-2;1-1-8 |
27a0 | 3b 32 2d 31 2d 32 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 | ;2-1-2;2-1-8;2-1-9;..6.!...8;1-1 |
27c0 | 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 39 3b 00 02 37 00 21 | -1;1-1-2;2-1-2;2-1-3;2-1-9;..7.! |
27e0 | 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 |
2800 | 2d 33 3b 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 | -3;..8.....9;1-1-2;2-1-3;2-1-8;. |
2820 | 02 39 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 | .9.'...3;1-1-2;1-2-3;2-1-2;2-2-3 |
2840 | 3b 32 2d 31 2d 38 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 | ;2-1-8;2-1-9;..10.....3;1-2-3;2- |
2860 | 31 2d 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 | 1-2;2-2-3;..11.....3;1-2-3;2-2-3 |
2880 | 3b 00 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 | ;..12.!...8;1-1-1;1-1-2;2-1-1;2- |
28a0 | 31 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 | 1-3;2-1-9;....dataset_ids......0 |
28c0 | 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 | .V..4+r.5o....1.V..:+r.5o....2.V |
28e0 | ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c | ..;+r.5o....3.V..<+r.5o....4.V.. |
2900 | 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b | <+r.5o....5.V..>+r.5o....6.V..?+ |
2920 | 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed | r.5o....7.V..@+r.5o....8.V..A+r. |
2940 | 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 | 5o....9.V..B+r.5o....10.V..C+r.5 |
2960 | 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 | o.....features./....56ba0c342b72 |
2980 | 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 f6 b4 c5 cb f8 d6 21 40 00 00 02 73 | ed356f000000......0.......!@...s |
29a0 | 6d 69 6c 65 73 00 20 00 00 00 43 43 4f 43 28 3d 4f 29 43 4f 43 28 3d 4f 29 63 31 63 63 63 63 63 | miles.....CCOC(=O)COC(=O)c1ccccc |
29c0 | 31 43 28 3d 4f 29 4f 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 1f e9 bf c6 52 01 00 00 09 63 | 1C(=O)OCC..updated_at.....R....c |
29e0 | 72 65 61 74 65 64 5f 61 74 00 80 ac bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.....R....default_finge |
2a00 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 0d 00 00 00 02 69 6e 63 68 69 00 5d 00 00 00 49 6e 43 68 49 | rprint_size......inchi.]...InChI |
2a20 | 3d 31 53 2f 43 31 34 48 31 36 4f 36 2f 63 31 2d 33 2d 31 38 2d 31 32 28 31 35 29 39 2d 32 30 2d | =1S/C14H16O6/c1-3-18-12(15)9-20- |
2a40 | 31 34 28 31 37 29 31 31 2d 38 2d 36 2d 35 2d 37 2d 31 30 28 31 31 29 31 33 28 31 36 29 31 39 2d | 14(17)11-8-6-5-7-10(11)13(16)19- |
2a60 | 34 2d 32 2f 68 35 2d 38 48 2c 33 2d 34 2c 39 48 32 2c 31 2d 32 48 33 00 00 cd 01 00 00 07 5f 69 | 4-2/h5-8H,3-4,9H2,1-2H3......._i |
2a80 | 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 0f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..4+r.5o....warnings.......fi |
2aa0 | 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 30 00 09 00 00 00 | ngerprints.0....MP2D.%....0..... |
2ac0 | 32 3b 31 2d 31 2d 39 3b 00 02 31 00 09 00 00 00 39 3b 31 2d 31 2d 32 3b 00 00 00 04 64 61 74 61 | 2;1-1-9;..1.....9;1-1-2;....data |
2ae0 | 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba | set_ids......0.V..4+r.5o....1.V. |
2b00 | 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c | .:+r.5o....2.V..;+r.5o....3.V..< |
2b20 | 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 | +r.5o....4.V..=+r.5o....5.V..>+r |
2b40 | ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 37 00 56 ba 0c 40 2b 72 ed 35 | .5o....6.V..?+r.5o....7.V..@+r.5 |
2b60 | 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 | o....8.V..A+r.5o....9.V..B+r.5o. |
2b80 | 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 | ...10.V..C+r.5o.....features./.. |
2ba0 | 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 | ..56ba0c342b72ed356f000000...... |
2bc0 | 30 00 a4 e3 72 ea 05 d9 05 40 00 00 02 73 6d 69 6c 65 73 00 04 00 00 00 43 3d 4f 00 09 75 70 64 | 0...r....@...smiles.....C=O..upd |
2be0 | 61 74 65 64 5f 61 74 00 a6 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 85 ac bf c6 | ated_at.....R....created_at..... |
2c00 | 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 02 00 | R....default_fingerprint_size... |
2c20 | 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 31 2d 32 2f | ...inchi.....InChI=1S/CH2O/c1-2/ |
2c40 | 68 31 48 32 00 00 2f 02 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 10 04 77 61 72 6e | h1H2../...._id.V..4+r.5o....warn |
2c60 | 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 00 04 4d 50 32 | ings.......fingerprints.h....MP2 |
2c80 | 44 00 5d 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 32 2d 31 2d | D.]....0.....32;1-1-2;2-1-2;2-1- |
2ca0 | 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 31 2d 32 3b | 32;..1.....2;1-1-2;1-2-32;2-1-2; |
2cc0 | 00 02 32 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 00 00 | ..2.....2;1-2-2;2-1-2;2-2-32;... |
2ce0 | 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 | .dataset_ids......0.V..4+r.5o... |
2d00 | 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 | .1.V..:+r.5o....2.V..;+r.5o....3 |
2d20 | 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 | .V..<+r.5o....4.V..=+r.5o....5.V |
2d40 | ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c | ..=+r.5o....6.V..?+r.5o....7.V.. |
2d60 | 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b | @+r.5o....8.V..A+r.5o....9.V..B+ |
2d80 | 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 | r.5o....10.V..C+r.5o.....feature |
2da0 | 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 | s./....56ba0c342b72ed356f000000. |
2dc0 | 10 00 00 00 01 30 00 d9 b8 53 17 58 a0 22 40 00 00 02 73 6d 69 6c 65 73 00 10 00 00 00 4f 43 28 | .....0...S.X."@...smiles.....OC( |
2de0 | 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 5c e9 bf c6 52 01 00 | =O)C=CC(=O)O..updated_at.\...R.. |
2e00 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 8a ac bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at.....R....default_fi |
2e20 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 03 00 00 00 02 69 6e 63 68 69 00 36 00 00 00 49 6e | ngerprint_size......inchi.6...In |
2e40 | 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 34 28 37 29 38 2f 68 | ChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h |
2e60 | 31 2d 32 48 2c 28 48 2c 35 2c 36 29 28 48 2c 37 2c 38 29 00 00 2d 02 00 00 07 5f 69 64 00 56 ba | 1-2H,(H,5,6)(H,7,8)..-...._id.V. |
2e80 | 0c 34 2b 72 ed 35 6f 00 00 11 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | .4+r.5o....warnings.......finger |
2ea0 | 70 72 69 6e 74 73 00 7a 00 00 00 04 4d 50 32 44 00 6f 00 00 00 02 30 00 0f 00 00 00 38 3b 31 2d | prints.z....MP2D.o....0.....8;1- |
2ec0 | 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 3b | 1-1;2-1-1;..1.....1;1-1-1;1-1-8; |
2ee0 | 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 31 2d 31 2d | 2-1-1;2-1-8;..2.....1;1-2-1;1-1- |
2f00 | 38 3b 32 2d 32 2d 38 3b 00 02 33 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 00 | 8;2-2-8;..3.....8;1-1-1;2-2-1;.. |
2f20 | 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 | ..dataset_ids......0.V..4+r.5o.. |
2f40 | 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 | ..1.V..:+r.5o....2.V..;+r.5o.... |
2f60 | 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 | 3.V..<+r.5o....4.V..=+r.5o....5. |
2f80 | 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba | V..>+r.5o....6.V..?+r.5o....7.V. |
2fa0 | 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 | .@+r.5o....8.V..A+r.5o....9.V..B |
2fc0 | 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 | +r.5o....10.V..C+r.5o.....featur |
2fe0 | 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 | es./....56ba0c342b72ed356f000000 |
3000 | 00 10 00 00 00 01 30 00 70 99 10 c6 4b af 52 40 00 00 02 73 6d 69 6c 65 73 00 09 00 00 00 4f 43 | ......0.p...K.R@...smiles.....OC |
3020 | 43 28 43 4f 29 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 ed e9 bf c6 52 01 00 00 09 63 72 65 61 | C(CO)O..updated_at.....R....crea |
3040 | 74 65 64 5f 61 74 00 8f ac bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at.....R....default_fingerpr |
3060 | 69 6e 74 5f 73 69 7a 65 00 04 00 00 00 02 69 6e 63 68 69 00 29 00 00 00 49 6e 43 68 49 3d 31 53 | int_size......inchi.)...InChI=1S |
3080 | 2f 43 33 48 38 4f 33 2f 63 34 2d 31 2d 33 28 36 29 32 2d 35 2f 68 33 2d 36 48 2c 31 2d 32 48 32 | /C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2 |
30a0 | 00 00 e9 02 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 12 04 77 61 72 6e 69 6e 67 73 | ......._id.V..4+r.5o....warnings |
30c0 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 1e 01 00 00 04 4d 50 32 44 00 13 01 | .......fingerprints......MP2D... |
30e0 | 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 38 | ...0.....1;1-1-8;2-1-2;..1.....8 |
3100 | 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 00 | ;1-1-1;1-1-2;2-1-3;2-1-9;..2.!.. |
3120 | 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 |
3140 | 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 34 | ;..3.....9;1-1-2;2-1-3;2-1-8;..4 |
3160 | 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 |
3180 | 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 32 2d 32 2d 33 | -1-9;..5.....3;1-2-3;2-1-2;2-2-3 |
31a0 | 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 37 | ;..6.....3;1-2-3;2-2-3;2-1-8;..7 |
31c0 | 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 38 00 0f 00 00 | .....3;1-2-3;1-1-8;2-2-3;..8.... |
31e0 | 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab | .8;1-1-3;2-2-3;....dataset_ids.. |
3200 | 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 | ....0.V..4+r.5o....1.V..:+r.5o.. |
3220 | c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 | ..2.V..;+r.5o....3.V..<+r.5o.... |
3240 | 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 | 4.V..=+r.5o....5.V..>+r.5o....6. |
3260 | 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba | V..?+r.5o....7.V..@+r.5o....8.V. |
3280 | 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c | .A+r.5o....9.V..B+r.5o....10.V.. |
32a0 | 43 2b 72 ed 35 6f 00 01 d3 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 | C+r.5o.....features./....56ba0c3 |
32c0 | 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 30 1e f1 3f bd b7 23 | 42b72ed356f000000......0.0..?..# |
32e0 | 40 00 00 02 73 6d 69 6c 65 73 00 13 00 00 00 43 4f 43 28 3d 4f 29 63 31 63 63 63 28 63 63 31 29 | @...smiles.....COC(=O)c1ccc(cc1) |
3300 | 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 8d e6 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 | O..updated_at.....R....created_a |
3320 | 74 00 94 ac bf c6 52 01 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....default_fingerprint_s |
3340 | 69 7a 65 00 09 00 00 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 | ize......inchi.7...InChI=1S/C8H8 |
3360 | 4f 33 2f 63 31 2d 31 31 2d 38 28 31 30 29 36 2d 32 2d 34 2d 37 28 39 29 35 2d 33 2d 36 2f 68 32 | O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2 |
3380 | 2d 35 2c 39 48 2c 31 48 33 00 00 39 03 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 13 | -5,9H,1H3..9...._id.V..4+r.5o... |
33a0 | 04 77 61 72 6e 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 01 00 | .warnings.......fingerprints.].. |
33c0 | 00 04 4d 50 32 44 00 52 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.R....0.....1;1-1-1;2-1-1; |
33e0 | 00 02 31 00 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 | ..1.....1;1-2-1;2-1-8;..2.....1; |
3400 | 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 33 00 21 00 00 00 | 1-1-1;1-1-8;2-1-1;2-1-2;..3.!... |
3420 | 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 39 3b | 8;1-1-1;1-1-2;2-1-1;2-1-3;2-1-9; |
3440 | 00 02 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 3b 32 2d 31 2d | ..4.!...2;1-1-3;1-1-8;1-1-9;2-1- |
3460 | 31 3b 32 2d 32 2d 33 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 | 1;2-2-3;..5.....9;1-1-2;2-1-3;2- |
3480 | 31 2d 38 3b 00 02 36 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 | 1-8;..6.!...3;1-1-2;1-2-3;2-2-3; |
34a0 | 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 2-1-8;2-1-9;..7.....3;1-2-3;2-1- |
34c0 | 32 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 | 2;2-2-3;..8.....3;1-2-3;2-2-3;2- |
34e0 | 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 33 3b | 1-8;..9.....3;1-2-3;1-1-8;2-2-3; |
3500 | 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 04 64 61 74 61 73 | ..10.....8;1-1-3;2-2-3;....datas |
3520 | 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c | et_ids......0.V..4+r.5o....1.V.. |
3540 | 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b | :+r.5o....2.V..;+r.5o....3.V..<+ |
3560 | 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed | r.5o....4.V..=+r.5o....5.V..>+r. |
3580 | 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f | 5o....6.V..?+r.5o....7.V..@+r.5o |
35a0 | 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 | ....8.V..A+r.5o....9.V..B+r.5o.. |
35c0 | d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 | ..10.V..C+r.5o.....features./... |
35e0 | 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 | .56ba0c342b72ed356f000000......0 |
3600 | 00 51 8c 4f 7a eb a5 20 40 00 00 02 73 6d 69 6c 65 73 00 15 00 00 00 43 43 43 4f 43 28 3d 4f 29 | .Q.Oz...@...smiles.....CCCOC(=O) |
3620 | 63 31 63 63 63 28 63 63 31 29 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 7a e6 bf c6 52 01 00 00 | c1ccc(cc1)O..updated_at.z...R... |
3640 | 09 63 72 65 61 74 65 64 5f 61 74 00 9a ac bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.....R....default_fin |
3660 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0b 00 00 00 02 69 6e 63 68 69 00 46 00 00 00 49 6e 43 | gerprint_size......inchi.F...InC |
3680 | 68 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 | hI=1S/C10H12O3/c1-2-7-13-10(12)8 |
36a0 | 2d 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 | -3-5-9(11)6-4-8/h3-6,11H,2,7H2,1 |
36c0 | 48 33 00 00 e3 03 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 14 04 77 61 72 6e 69 6e | H3......._id.V..4+r.5o....warnin |
36e0 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 aa 01 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
3700 | 9f 01 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 | .....0.....8;1-1-1;2-2-1;..1.... |
3720 | 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 31 | .1;1-2-1;1-1-8;2-2-1;..2.....1;1 |
3740 | 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 31 | -2-1;2-2-1;2-1-8;..3.....1;1-2-1 |
3760 | 3b 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 | ;2-4-1;..4.....1;1-4-1;2-5-1;..5 |
3780 | 00 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 | .....1;1-3-1;2-5-1;..6.....1;1-2 |
37a0 | 2d 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 | -1;2-3-1;2-1-8;..7.....1;1-2-1;2 |
37c0 | 2d 33 2d 31 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 36 2d 31 3b 00 02 39 00 0f | -3-1;..8.....1;1-3-1;2-6-1;..9.. |
37e0 | 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 30 00 15 00 00 00 31 3b 31 2d 32 2d | ...1;1-3-1;2-3-1;..10.....1;1-2- |
3800 | 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 31 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | 1;2-2-1;2-1-2;..11.....1;1-1-1;1 |
3820 | 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 32 3b 00 02 31 32 00 16 00 00 00 32 3b 31 2d 31 | -1-2;2-1-1;2-2-32;..12.....2;1-1 |
3840 | 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d 31 3b 00 02 31 33 00 17 00 00 00 33 32 3b 31 2d 31 2d | -1;1-2-32;2-1-1;..13.....32;1-1- |
3860 | 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 32 3b 00 02 31 34 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b | 2;2-1-1;2-1-32;..14.....1;1-1-1; |
3880 | 32 2d 32 2d 31 3b 00 02 31 35 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 00 00 | 2-2-1;..15.....1;1-1-1;2-3-1;... |
38a0 | 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 | .dataset_ids......0.V..4+r.5o... |
38c0 | 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 | .1.V..:+r.5o....2.V..;+r.5o....3 |
38e0 | 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 | .V..;+r.5o....4.V..=+r.5o....5.V |
3900 | ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c | ..>+r.5o....6.V..?+r.5o....7.V.. |
3920 | 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b | @+r.5o....8.V..A+r.5o....9.V..B+ |
3940 | 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 | r.5o....10.V..C+r.5o.....feature |
3960 | 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 | s./....56ba0c342b72ed356f000000. |
3980 | 10 00 00 00 01 30 00 c0 aa 84 bd 86 3e f5 3f 00 00 02 73 6d 69 6c 65 73 00 2f 00 00 00 4f 43 31 | .....0......>.?...smiles./...OC1 |
39a0 | 43 43 43 32 28 43 28 43 31 29 43 43 43 31 43 32 43 43 43 32 28 43 31 43 43 43 32 43 28 43 43 43 | CCC2(C(C1)CCC1C2CCC2(C1CCC2C(CCC |
39c0 | 28 3d 4f 29 4f 29 43 29 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 e3 e8 bf c6 52 01 00 00 | (=O)O)C)C)C..updated_at.....R... |
39e0 | 09 63 72 65 61 74 65 64 5f 61 74 00 a0 ac bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.....R....default_fin |
3a00 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 10 00 00 00 02 69 6e 63 68 69 00 89 00 00 00 49 6e 43 | gerprint_size......inchi.....InC |
3a20 | 68 49 3d 31 53 2f 43 32 34 48 34 30 4f 33 2f 63 31 2d 31 35 28 34 2d 39 2d 32 32 28 32 36 29 32 | hI=1S/C24H40O3/c1-15(4-9-22(26)2 |
3a40 | 37 29 31 39 2d 37 2d 38 2d 32 30 2d 31 38 2d 36 2d 35 2d 31 36 2d 31 34 2d 31 37 28 32 35 29 31 | 7)19-7-8-20-18-6-5-16-14-17(25)1 |
3a60 | 30 2d 31 32 2d 32 33 28 31 36 2c 32 29 32 31 28 31 38 29 31 31 2d 31 33 2d 32 34 28 31 39 2c 32 | 0-12-23(16,2)21(18)11-13-24(19,2 |
3a80 | 30 29 33 2f 68 31 35 2d 32 31 2c 32 35 48 2c 34 2d 31 34 48 32 2c 31 2d 33 48 33 2c 28 48 2c 32 | 0)3/h15-21,25H,4-14H2,1-3H3,(H,2 |
3aa0 | 36 2c 32 37 29 00 00 90 02 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 15 04 77 61 72 | 6,27)......._id.V..4+r.5o....war |
3ac0 | 6e 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 00 04 4d 50 | nings.......fingerprints......MP |
3ae0 | 32 44 00 b1 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 | 2D......0.....1;1-1-1;2-2-1;..1. |
3b00 | 0f 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 | ....1;1-3-1;2-2-1;..2.....1;1-2- |
3b20 | 31 3b 32 2d 33 2d 31 3b 00 02 33 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 34 2d 31 3b 32 2d | 1;2-3-1;..3.....1;1-3-1;2-4-1;2- |
3b40 | 31 2d 38 3b 00 02 34 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b | 1-8;..4.....1;1-2-1;1-1-8;2-3-1; |
3b60 | 00 02 35 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 36 00 | ..5.....1;1-2-1;2-3-1;2-1-8;..6. |
3b80 | 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 | ....8;1-1-1;2-2-1;....dataset_id |
3ba0 | 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 | s......0.V..4+r.5o....1.V..:+r.5 |
3bc0 | 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 | o....2.V..;+r.5o....3.V..<+r.5o. |
3be0 | 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca | ...4.V..<+r.5o....5.V..>+r.5o... |
3c00 | 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 | .6.V..?+r.5o....7.V..@+r.5o....8 |
3c20 | 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 | .V..A+r.5o....9.V..B+r.5o....10. |
3c40 | 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 | V..C+r.5o.....features./....56ba |
3c60 | 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 f6 e8 55 45 | 0c342b72ed356f000000......0...UE |
3c80 | d0 5b 0e 40 00 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 | .[.@...smiles.....CC1CCC(C(C1)O) |
3ca0 | 43 28 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 2f e9 bf c6 52 01 00 00 09 63 72 65 61 74 | C(C)C..updated_at./...R....creat |
3cc0 | 65 64 5f 61 74 00 a6 ac bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at.....R....default_fingerpri |
3ce0 | 6e 74 5f 73 69 7a 65 00 07 00 00 00 02 69 6e 63 68 69 00 3f 00 00 00 49 6e 43 68 49 3d 31 53 2f | nt_size......inchi.?...InChI=1S/ |
3d00 | 43 31 30 48 32 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 | C10H20O/c1-7(2)9-5-4-8(3)6-10(9) |
3d20 | 31 31 2f 68 37 2d 31 31 48 2c 34 2d 36 48 32 2c 31 2d 33 48 33 00 00 5c 02 00 00 07 5f 69 64 00 | 11/h7-11H,4-6H2,1-3H3..\...._id. |
3d40 | 56 ba 0c 34 2b 72 ed 35 6f 00 00 16 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..4+r.5o....warnings.......fing |
3d60 | 65 72 70 72 69 6e 74 73 00 a0 00 00 00 04 4d 50 32 44 00 95 00 00 00 02 30 00 0f 00 00 00 31 3b | erprints......MP2D......0.....1; |
3d80 | 31 2d 31 2d 32 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 | 1-1-2;2-2-2;..1.....2;1-1-1;1-2- |
3da0 | 32 3b 32 2d 32 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 | 2;2-2-32;..2.....2;1-1-2;2-1-1;2 |
3dc0 | 2d 31 2d 32 3b 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 | -1-2;..3.....2;1-1-2;1-2-32;2-1- |
3de0 | 31 3b 32 2d 31 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 | 1;2-1-2;..4.....32;1-1-2;2-1-2;2 |
3e00 | 2d 31 2d 33 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c | -1-32;....dataset_ids......0.V.. |
3e20 | 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b | 4+r.5o....1.V..:+r.5o....2.V..;+ |
3e40 | 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed | r.5o....3.V..<+r.5o....4.V..=+r. |
3e60 | 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f | 5o....5.V..>+r.5o....6.V..?+r.5o |
3e80 | 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 | ....7.V..@+r.5o....8.V..A+r.5o.. |
3ea0 | cf 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 | ..9.V..B+r.5o....10.V..C+r.5o... |
3ec0 | 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 | ..features./....56ba0c342b72ed35 |
3ee0 | 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 2a 05 8c 0b bd 0b 07 40 00 00 02 73 6d 69 6c 65 | 6f000000......0.*......@...smile |
3f00 | 73 00 0d 00 00 00 43 43 28 3d 43 29 43 28 3d 4f 29 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 3a | s.....CC(=C)C(=O)O..updated_at.: |
3f20 | ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 aa ac bf c6 52 01 00 00 10 64 65 66 61 | ...R....created_at.....R....defa |
3f40 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 05 00 00 00 02 69 6e 63 68 69 00 | ult_fingerprint_size......inchi. |
3f60 | 2e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 36 4f 32 2f 63 31 2d 33 28 32 29 34 28 35 29 36 | ....InChI=1S/C4H6O2/c1-3(2)4(5)6 |
3f80 | 2f 68 31 48 32 2c 32 48 33 2c 28 48 2c 35 2c 36 29 00 00 03 03 00 00 07 5f 69 64 00 56 ba 0c 34 | /h1H2,2H3,(H,5,6)......._id.V..4 |
3fa0 | 2b 72 ed 35 6f 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.5o....warnings.......fingerpr |
3fc0 | 69 6e 74 73 00 3a 01 00 00 04 4d 50 32 44 00 2f 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d | ints.:....MP2D./....0.....1;1-1- |
3fe0 | 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 32 2d | 8;2-1-2;..1.....8;1-1-1;1-1-2;2- |
4000 | 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 31 2d 38 3b | 1-3;2-1-9;..2.!...2;1-1-3;1-1-8; |
4020 | 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 31 2d 31 2d | 1-1-9;2-1-1;2-2-3;..3.....9;1-1- |
4040 | 32 3b 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 | 2;2-1-3;2-1-8;..4.!...3;1-1-2;1- |
4060 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 00 15 00 00 00 33 3b | 2-3;2-2-3;2-2-8;2-1-9;..5.....3; |
4080 | 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 31 2d 32 2d | 1-2-3;2-1-2;2-2-3;..6.....3;1-2- |
40a0 | 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 32 2d 33 3b 32 2d | 3;2-2-3;..7.....3;1-2-3;2-2-3;2- |
40c0 | 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 31 2d 32 3b | 1-8;..8.....3;1-2-3;1-1-8;2-1-2; |
40e0 | 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 00 00 00 04 | 2-2-3;..9.....8;1-1-3;2-2-3;.... |
4100 | 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 | dataset_ids......0.V..4+r.5o.... |
4120 | 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 | 1.V..:+r.5o....2.V..;+r.5o....3. |
4140 | 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba | V..;+r.5o....4.V..=+r.5o....5.V. |
4160 | 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 | .>+r.5o....6.V..?+r.5o....7.V..@ |
4180 | 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 | +r.5o....8.V..A+r.5o....9.V..B+r |
41a0 | ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 | .5o....10.V..C+r.5o.....features |
41c0 | 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 | ./....56ba0c342b72ed356f000000.. |
41e0 | 00 00 00 01 30 00 fb 1c 58 66 d4 ed 02 40 00 00 02 73 6d 69 6c 65 73 00 11 00 00 00 43 4f 43 28 | ....0...Xf...@...smiles.....COC( |
4200 | 3d 4f 29 63 31 63 63 63 63 63 31 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 0d e9 bf c6 52 01 00 | =O)c1ccccc1O..updated_at.....R.. |
4220 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 af ac bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at.....R....default_fi |
4240 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0a 00 00 00 02 69 6e 63 68 69 00 37 00 00 00 49 6e | ngerprint_size......inchi.7...In |
4260 | 43 68 49 3d 31 53 2f 43 38 48 38 4f 33 2f 63 31 2d 31 31 2d 38 28 31 30 29 36 2d 34 2d 32 2d 33 | ChI=1S/C8H8O3/c1-11-8(10)6-4-2-3 |
4280 | 2d 35 2d 37 28 36 29 39 2f 68 32 2d 35 2c 39 48 2c 31 48 33 00 00 27 02 00 00 07 5f 69 64 00 56 | -5-7(6)9/h2-5,9H,1H3..'...._id.V |
42a0 | ba 0c 34 2b 72 ed 35 6f 00 00 18 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..4+r.5o....warnings.......finge |
42c0 | 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 0f 00 00 00 38 3b 31 | rprints.t....MP2D.i....0.....8;1 |
42e0 | 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 38 | -1-3;2-2-3;..1.....3;1-2-3;1-1-8 |
4300 | 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 31 | ;2-2-3;..2.....3;1-2-3;2-2-3;2-1 |
4320 | 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 00 00 04 64 61 74 | -8;..3.....3;1-2-3;2-2-3;....dat |
4340 | 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 | aset_ids......0.V..4+r.5o....1.V |
4360 | ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c | ..:+r.5o....2.V..;+r.5o....3.V.. |
4380 | 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3e 2b | <+r.5o....4.V..<+r.5o....5.V..>+ |
43a0 | 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed | r.5o....6.V..?+r.5o....7.V..@+r. |
43c0 | 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f | 5o....8.V..A+r.5o....9.V..B+r.5o |
43e0 | 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 | ....10.V..C+r.5o.....features./. |
4400 | 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 | ...56ba0c342b72ed356f000000..... |
4420 | 01 30 00 8a 4d 61 19 f3 3d 0d 40 00 00 02 73 6d 69 6c 65 73 00 0a 00 00 00 4f 63 31 63 63 63 63 | .0..Ma..=.@...smiles.....Oc1cccc |
4440 | 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 3c e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f | c1..updated_at.<...R....created_ |
4460 | 61 74 00 b5 ac bf c6 52 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.....R....default_fingerprint_ |
4480 | 73 69 7a 65 00 04 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 | size......inchi.(...InChI=1S/C6H |
44a0 | 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 00 00 5a 03 00 | 6O/c7-6-4-2-1-3-5-6/h1-5,7H..Z.. |
44c0 | 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 19 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V..4+r.5o....warnings..... |
44e0 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 6f 01 00 00 04 4d 50 32 44 00 64 01 00 00 02 30 00 | ..fingerprints.o....MP2D.d....0. |
4500 | 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- |
4520 | 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 32 2d | 1;2-1-8;..2.....1;1-1-1;1-1-8;2- |
4540 | 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 32 3b | 1-1;2-1-2;..3.!...8;1-1-1;1-1-2; |
4560 | 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 31 2d 31 2d | 2-1-1;2-1-3;2-1-9;..4.!...2;1-1- |
4580 | 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 35 00 15 00 | 3;1-1-8;1-1-9;2-1-1;2-2-3;..5... |
45a0 | 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 00 00 33 3b | ..9;1-1-2;2-1-3;2-1-8;..6.!...3; |
45c0 | 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 00 02 | 1-1-2;1-2-3;2-2-3;2-1-8;2-1-9;.. |
45e0 | 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; |
4600 | 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 2d | ..8.....3;1-2-3;1-1-8;2-2-3;2-1- |
4620 | 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 30 00 1b 00 00 | 8;..9.....8;1-1-3;2-2-3;..10.... |
4640 | 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 00 00 00 04 64 | .3;1-2-3;1-1-8;2-2-3;2-2-8;....d |
4660 | 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 | ataset_ids......0.V..4+r.5o....1 |
4680 | 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 | .V..:+r.5o....2.V..;+r.5o....3.V |
46a0 | ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c | ..<+r.5o....4.V..<+r.5o....5.V.. |
46c0 | 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b | >+r.5o....6.V..?+r.5o....7.V..@+ |
46e0 | 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed | r.5o....8.V..A+r.5o....9.V..B+r. |
4700 | 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 | 5o....10.V..C+r.5o.....features. |
4720 | 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 | /....56ba0c342b72ed356f000000... |
4740 | 00 00 01 30 00 94 61 1a 23 5d 49 10 40 00 00 02 73 6d 69 6c 65 73 00 1b 00 00 00 43 43 43 4f 43 | ...0..a.#]I.@...smiles.....CCCOC |
4760 | 28 3d 4f 29 63 31 63 63 28 4f 29 63 28 63 28 63 31 29 4f 29 4f 00 09 75 70 64 61 74 65 64 5f 61 | (=O)c1cc(O)c(c(c1)O)O..updated_a |
4780 | 74 00 4e e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ba ac bf c6 52 01 00 00 10 64 | t.N...R....created_at.....R....d |
47a0 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0b 00 00 00 02 69 6e 63 | efault_fingerprint_size......inc |
47c0 | 68 69 00 4f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 32 4f 35 2f 63 31 2d 32 2d 33 2d | hi.O...InChI=1S/C10H12O5/c1-2-3- |
47e0 | 31 35 2d 31 30 28 31 34 29 36 2d 34 2d 37 28 31 31 29 39 28 31 33 29 38 28 31 32 29 35 2d 36 2f | 15-10(14)6-4-7(11)9(13)8(12)5-6/ |
4800 | 68 34 2d 35 2c 31 31 2d 31 33 48 2c 32 2d 33 48 32 2c 31 48 33 00 00 84 02 00 00 07 5f 69 64 00 | h4-5,11-13H,2-3H2,1H3......._id. |
4820 | 56 ba 0c 34 2b 72 ed 35 6f 00 00 1a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..4+r.5o....warnings.......fing |
4840 | 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 32 3b | erprints......MP2D......0.....2; |
4860 | 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 2d 32 3b 31 2d 31 2d | 1-1-2;2-1-3;..1.....2;1-1-2;1-1- |
4880 | 33 3b 32 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 | 3;2-2-3;..2.....3;1-1-2;1-2-3;2- |
48a0 | 31 2d 32 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 | 1-2;2-2-3;..3.....3;1-2-3;2-1-2; |
48c0 | 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 00 00 04 | 2-2-3;..4.....3;1-2-3;2-2-3;.... |
48e0 | 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 | dataset_ids......0.V..4+r.5o.... |
4900 | 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 | 1.V..:+r.5o....2.V..;+r.5o....3. |
4920 | 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 ba | V..;+r.5o....4.V..<+r.5o....5.V. |
4940 | 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 37 00 56 ba 0c 3e | .=+r.5o....6.V..=+r.5o....7.V..> |
4960 | 2b 72 ed 35 6f 00 01 ca 07 38 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 39 00 56 ba 0c 40 2b 72 | +r.5o....8.V..?+r.5o....9.V..@+r |
4980 | ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 | .5o....10.V..A+r.5o....11.V..B+r |
49a0 | ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 | .5o....12.V..C+r.5o.....features |
49c0 | 00 45 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 26 | .E....56ba0c342b72ed356f000000.& |
49e0 | 00 00 00 01 30 00 fd 09 5f 4a 24 cf c9 3f 01 31 00 79 78 a7 a3 45 e4 05 40 01 32 00 8f b6 95 1b | ....0..._J$..?.1.yx..E..@.2..... |
4a00 | a5 b9 0e 40 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 09 75 | ...@...smiles.....C=Cc1ccccc1..u |
4a20 | 70 64 61 74 65 64 5f 61 74 00 6d e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c2 ac | pdated_at.m...R....created_at... |
4a40 | bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | ..R....default_fingerprint_size. |
4a60 | 05 00 00 00 02 69 6e 63 68 69 00 2b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 38 2f 63 31 2d | .....inchi.+...InChI=1S/C8H8/c1- |
4a80 | 32 2d 38 2d 36 2d 34 2d 33 2d 35 2d 37 2d 38 2f 68 32 2d 37 48 2c 31 48 32 00 00 99 02 00 00 07 | 2-8-6-4-3-5-7-8/h2-7H,1H2....... |
4aa0 | 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 1b 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..4+r.5o....warnings....... |
4ac0 | 66 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 | fingerprints......MP2D......0... |
4ae0 | 00 00 39 3b 31 2d 31 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 | ..9;1-1-2;2-1-3;..1.....2;1-1-3; |
4b00 | 31 2d 31 2d 39 3b 32 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 | 1-1-9;2-1-3;2-1-9;..2.!...3;1-1- |
4b20 | 32 3b 31 2d 31 2d 33 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 | 2;1-1-3;1-1-9;2-2-3;2-1-9;..3... |
4b40 | 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 34 00 | ..3;1-2-3;2-1-2;2-1-3;2-1-9;..4. |
4b60 | 15 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 35 00 15 00 00 00 | ....3;1-2-3;2-1-3;2-1-9;..5..... |
4b80 | 33 3b 31 2d 31 2d 33 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 | 3;1-1-3;1-1-9;2-2-3;..6.....9;1- |
4ba0 | 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 | 2-3;2-1-2;2-2-3;....dataset_ids. |
4bc0 | ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 | .....0.V..4+r.5o....1.V..9+r.5o. |
4be0 | 01 c1 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 | ...2.V..;+r.5o....3.V..<+r.5o... |
4c00 | 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 | .4.V..=+r.5o....5.V..>+r.5o....6 |
4c20 | 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 | .V..?+r.5o....7.V..@+r.5o....8.V |
4c40 | ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba | ..A+r.5o....9.V..B+r.5o....10.V. |
4c60 | 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 | .C+r.5o.....features./....56ba0c |
4c80 | 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 5e 48 0c 4e 85 fb | 342b72ed356f000000......0.^H.N.. |
4ca0 | e3 3f 00 00 02 73 6d 69 6c 65 73 00 0b 00 00 00 4f 3d 43 63 31 63 63 63 6f 31 00 09 75 70 64 61 | .?...smiles.....O=Cc1ccco1..upda |
4cc0 | 74 65 64 5f 61 74 00 5c e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c8 ac bf c6 52 | ted_at.\...R....created_at.....R |
4ce0 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 07 00 00 | ....default_fingerprint_size.... |
4d00 | 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 2d 34 | ..inchi.'...InChI=1S/C5H4O2/c6-4 |
4d20 | 2d 35 2d 32 2d 31 2d 33 2d 37 2d 35 2f 68 31 2d 34 48 00 00 08 03 00 00 07 5f 69 64 00 56 ba 0c | -5-2-1-3-7-5/h1-4H......._id.V.. |
4d40 | 34 2b 72 ed 35 6f 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 | 4+r.5o....warnings.......fingerp |
4d60 | 72 69 6e 74 73 00 28 01 00 00 04 4d 50 32 44 00 1d 01 00 00 02 30 00 0f 00 00 00 35 3b 31 2d 31 | rints.(....MP2D......0.....5;1-1 |
4d80 | 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 35 3b 32 | -1;2-1-1;..1.....1;1-1-1;1-1-5;2 |
4da0 | 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 31 | -1-19;..2.....1;1-1-1;1-1-19;2-1 |
4dc0 | 2d 33 3b 32 2d 31 2d 35 3b 00 02 33 00 1c 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b | -3;2-1-5;..3.....19;1-1-1;1-1-3; |
4de0 | 32 2d 31 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 | 2-1-1;2-2-3;..4.....3;1-2-3;1-1- |
4e00 | 31 39 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 3b 32 | 19;2-1-1;2-3-3;..5.....3;1-2-3;2 |
4e20 | 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 2d 33 3b 32 2d 32 2d | -2-3;2-1-19;..6.....3;1-2-3;2-2- |
4e40 | 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 0f 00 00 00 | 3;..7.....3;1-2-3;2-3-3;..8..... |
4e60 | 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d | 3;1-3-3;2-4-3;..9.....3;1-3-3;2- |
4e80 | 34 2d 33 3b 32 2d 31 2d 31 39 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 | 4-3;2-1-19;....dataset_ids...... |
4ea0 | 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 | 0.V..4+r.5o....1.V..:+r.5o....2. |
4ec0 | 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba | V..;+r.5o....3.V..<+r.5o....4.V. |
4ee0 | 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f | .=+r.5o....5.V..>+r.5o....6.V..? |
4f00 | 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 | +r.5o....7.V..@+r.5o....8.V..A+r |
4f20 | ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 30 00 56 ba 0c 43 2b 72 ed | .5o....9.V..B+r.5o....10.V..C+r. |
4f40 | 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 | 5o.....features./....56ba0c342b7 |
4f60 | 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 7c 97 11 37 58 25 db 3f 00 00 02 | 2ed356f000000......0.|..7X%.?... |
4f80 | 73 6d 69 6c 65 73 00 13 00 00 00 4e 43 43 4e 63 31 63 63 63 63 32 63 31 63 63 63 63 32 00 09 75 | smiles.....NCCNc1cccc2c1cccc2..u |
4fa0 | 70 64 61 74 65 64 5f 61 74 00 62 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ce ac | pdated_at.b...R....created_at... |
4fc0 | bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | ..R....default_fingerprint_size. |
4fe0 | 0a 00 00 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 31 34 4e 32 | .....inchi.L...InChI=1S/C12H14N2 |
5000 | 2f 63 31 33 2d 38 2d 39 2d 31 34 2d 31 32 2d 37 2d 33 2d 35 2d 31 30 2d 34 2d 31 2d 32 2d 36 2d | /c13-8-9-14-12-7-3-5-10-4-1-2-6- |
5020 | 31 31 28 31 30 29 31 32 2f 68 31 2d 37 2c 31 34 48 2c 38 2d 39 2c 31 33 48 32 00 00 55 02 00 00 | 11(10)12/h1-7,14H,8-9,13H2..U... |
5040 | 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 1d 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V..4+r.5o....warnings...... |
5060 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 97 00 00 00 04 4d 50 32 44 00 8c 00 00 00 02 30 00 10 | .fingerprints......MP2D......0.. |
5080 | 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 31 2d | ...15;1-1-1;2-1-1;..1.....1;1-1- |
50a0 | 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 31 3b | 1;1-1-15;2-1-31;..2.....1;1-1-1; |
50c0 | 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 3b 31 | 1-1-31;2-3-1;2-1-15;..3.....31;1 |
50e0 | 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 33 2d | -4-1;2-1-1;..4.....1;1-1-31;2-3- |
5100 | 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed | 1;....dataset_ids......0.V..4+r. |
5120 | 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f | 5o....1.V..9+r.5o....2.V..;+r.5o |
5140 | 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 | ....3.V..<+r.5o....4.V..=+r.5o.. |
5160 | c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 | ..5.V..>+r.5o....6.V..?+r.5o.... |
5180 | 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 | 7.V..@+r.5o....8.V..A+r.5o....9. |
51a0 | 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 | V..B+r.5o....10.V..C+r.5o.....fe |
51c0 | 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 | atures./....56ba0c342b72ed356f00 |
51e0 | 30 30 30 30 00 10 00 00 00 01 30 00 b9 72 05 91 2f f1 01 40 00 00 02 73 6d 69 6c 65 73 00 0f 00 | 0000......0..r../..@...smiles... |
5200 | 00 00 43 6c 43 43 5b 4e 5d 28 43 29 28 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 3a e8 bf | ..ClCC[N](C)(C)C..updated_at.:.. |
5220 | c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d4 ac bf c6 52 01 00 00 10 64 65 66 61 75 6c | .R....created_at.....R....defaul |
5240 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 05 00 00 00 02 69 6e 63 68 69 00 2e 00 | t_fingerprint_size......inchi... |
5260 | 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 |
5280 | 2d 36 2f 68 34 2d 35 48 32 2c 31 2d 33 48 33 00 00 87 03 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 | -6/h4-5H2,1-3H3......._id.V..4+r |
52a0 | ed 35 6f 00 00 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 | .5o....warnings.......fingerprin |
52c0 | 74 73 00 9b 01 00 00 04 4d 50 32 44 00 90 01 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 | ts......MP2D......0.....15;1-1-1 |
52e0 | 3b 32 2d 31 2d 32 3b 00 02 31 00 1c 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d | ;2-1-2;..1.....1;1-1-2;1-1-15;2- |
5300 | 31 2d 33 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 31 2d 33 3b | 1-3;2-1-9;..2."...2;1-1-1;1-1-3; |
5320 | 31 2d 31 2d 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 33 00 15 00 00 00 39 3b 31 2d 31 | 1-1-9;2-2-3;2-1-15;..3.....9;1-1 |
5340 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 34 00 21 00 00 00 33 3b 31 2d 31 2d 32 3b 31 | -2;2-1-1;2-1-3;..4.!...3;1-1-2;1 |
5360 | 2d 32 2d 33 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 | -2-3;2-1-1;2-2-3;2-1-9;..5.....3 |
5380 | 3b 31 2d 32 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 | ;1-2-3;2-1-2;2-2-3;..6.....3;1-2 |
53a0 | 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; |
53c0 | 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 38 00 22 00 00 00 32 38 3b 31 2d | 1-1-28;2-1-2;2-2-3;..8."...28;1- |
53e0 | 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 39 00 | 1-2;1-1-3;2-1-1;2-2-3;2-1-9;..9. |
5400 | 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 33 3b 00 | ....2;1-1-1;1-1-9;1-1-28;2-1-3;. |
5420 | 02 31 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 | .10.....9;1-1-2;2-1-1;2-1-28;..1 |
5440 | 31 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 00 00 04 64 | 1.....1;1-1-2;2-1-9;2-1-28;....d |
5460 | 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 | ataset_ids......0.V..4+r.5o....1 |
5480 | 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 | .V..9+r.5o....2.V..;+r.5o....3.V |
54a0 | ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c | ..<+r.5o....4.V..=+r.5o....5.V.. |
54c0 | 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b | >+r.5o....6.V..?+r.5o....7.V..@+ |
54e0 | 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed | r.5o....8.V..A+r.5o....9.V..B+r. |
5500 | 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 | 5o....10.V..C+r.5o.....features. |
5520 | 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 | /....56ba0c342b72ed356f000000... |
5540 | 00 00 01 30 00 99 1b 02 ae 80 dc 1d 40 00 00 02 73 6d 69 6c 65 73 00 1a 00 00 00 43 6c 43 43 28 | ...0........@...smiles.....ClCC( |
5560 | 3d 4f 29 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 | =O)c1ccc(cc1)NC(=O)C..updated_at |
5580 | 00 5d e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 da ac bf c6 52 01 00 00 10 64 65 | .]...R....created_at.....R....de |
55a0 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0c 00 00 00 02 69 6e 63 68 | fault_fingerprint_size......inch |
55c0 | 69 00 51 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 | i.Q...InChI=1S/C10H10ClNO2/c1-7( |
55e0 | 31 33 29 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 | 13)12-9-4-2-8(3-5-9)10(14)6-11/h |
5600 | 32 2d 35 48 2c 36 48 32 2c 31 48 33 2c 28 48 2c 31 32 2c 31 33 29 00 00 22 03 00 00 07 5f 69 64 | 2-5H,6H2,1H3,(H,12,13).."...._id |
5620 | 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 1f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..4+r.5o....warnings.......fin |
5640 | 67 65 72 70 72 69 6e 74 73 00 fd 00 00 00 04 4d 50 32 44 00 f2 00 00 00 02 30 00 17 00 00 00 31 | gerprints......MP2D......0.....1 |
5660 | 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 16 00 00 00 31 3b 31 | 5;1-1-1;2-1-1;2-2-15;..1.....1;1 |
5680 | 2d 31 2d 31 3b 31 2d 33 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 32 00 1c 00 00 00 31 3b 31 2d 31 2d | -1-1;1-3-15;2-2-3;..2.....1;1-1- |
56a0 | 31 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 32 2d 33 2d 31 35 3b 00 02 33 00 1b 00 00 00 33 3b 31 | 1;1-2-3;2-4-3;2-3-15;..3.....3;1 |
56c0 | 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 00 00 00 33 | -1-1;1-2-3;2-1-1;2-3-3;..4.....3 |
56e0 | 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 3b 31 2d 32 | ;1-2-3;2-1-1;2-2-3;..5.....3;1-2 |
5700 | 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 32 2d 33 3b | -3;2-2-3;2-1-15;..6.....3;1-2-3; |
5720 | 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 37 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d | 1-1-15;2-2-3;..7.....15;1-1-3;2- |
5740 | 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b | 2-3;....dataset_ids......0.V..4+ |
5760 | 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed | r.5o....1.V..:+r.5o....2.V..;+r. |
5780 | 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f | 5o....3.V..<+r.5o....4.V..=+r.5o |
57a0 | 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 | ....5.V..>+r.5o....6.V..?+r.5o.. |
57c0 | cb 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 38 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 | ..7.V..?+r.5o....8.V..@+r.5o.... |
57e0 | 39 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 31 30 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 | 9.V..A+r.5o....10.V..A+r.5o....1 |
5800 | 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 | 1.V..B+r.5o....12.V..C+r.5o..... |
5820 | 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 | features.:....56ba0c342b72ed356f |
5840 | 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 28 1c 7b 26 08 1c b7 3f 01 31 00 28 1c 7b 26 08 1c 47 | 000000......0.(.{&...?.1.(.{&..G |
5860 | 3f 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 29 43 | ?...smiles.'...ClC(C(c1ccc(cc1)C |
5880 | 6c 29 63 31 63 63 63 28 63 63 31 29 43 6c 29 28 43 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 | l)c1ccc(cc1)Cl)(Cl)Cl..updated_a |
58a0 | 74 00 1d ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e1 ac bf c6 52 01 00 00 10 64 | t.....R....created_at.....R....d |
58c0 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 08 00 00 00 02 69 6e 63 | efault_fingerprint_size......inc |
58e0 | 68 69 00 52 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 | hi.R...InChI=1S/C14H9Cl5/c15-11- |
5900 | 35 2d 31 2d 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 | 5-1-9(2-6-11)13(14(17,18)19)10-3 |
5920 | 2d 37 2d 31 32 28 31 36 29 38 2d 34 2d 31 30 2f 68 31 2d 38 2c 31 33 48 00 00 73 03 00 00 07 5f | -7-12(16)8-4-10/h1-8,13H..s...._ |
5940 | 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 20 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..4+r.5o....warnings.......f |
5960 | 69 6e 67 65 72 70 72 69 6e 74 73 00 86 01 00 00 04 4d 50 32 44 00 7b 01 00 00 02 30 00 15 00 00 | ingerprints......MP2D.{....0.... |
5980 | 00 31 3b 31 2d 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 | .1;1-1-1;2-1-2;2-1-8;..1."...1;1 |
59a0 | 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;.. |
59c0 | 32 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 38 | 2.....2;1-1-1;1-2-32;2-1-1;2-1-8 |
59e0 | 3b 00 02 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 | ;..3.....32;1-1-2;2-1-1;2-1-32;. |
5a00 | 02 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 | .4.!...8;1-1-1;1-1-3;2-1-1;2-1-2 |
5a20 | 3b 32 2d 32 2d 33 3b 00 02 35 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;..5."...3;1-2-3;1-1-8;2-1 |
5a40 | 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 3b | -1;2-2-3;2-1-15;..6.....3;1-2-3; |
5a60 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 35 3b 00 02 37 00 1d 00 00 00 33 3b 31 2d 32 | 2-2-3;2-1-8;2-1-15;..7.....3;1-2 |
5a80 | 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 38 00 10 00 00 00 31 | -3;1-1-15;2-2-3;2-1-15;..8.....1 |
5aa0 | 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 32 2d 33 3b 32 2d | 5;1-1-3;2-2-3;..9.....3;1-2-3;2- |
5ac0 | 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 31 2d | 2-3;2-2-15;..10.....3;1-2-3;1-1- |
5ae0 | 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab | 15;2-2-3;2-1-8;....dataset_ids.. |
5b00 | 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 | ....0.V..4+r.5o....1.V..:+r.5o.. |
5b20 | c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 | ..2.V..;+r.5o....3.V..<+r.5o.... |
5b40 | 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 | 4.V..=+r.5o....5.V..>+r.5o....6. |
5b60 | 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba | V..?+r.5o....7.V..@+r.5o....8.V. |
5b80 | 0c 41 2b 72 ed 35 6f 00 01 cf 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c | .A+r.5o....9.V..B+r.5o....10.V.. |
5ba0 | 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 | C+r.5o.....features./....56ba0c3 |
5bc0 | 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 5e 21 e1 cd 1f 87 a0 | 42b72ed356f000000......0.^!..... |
5be0 | 3f 00 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 | ?...smiles.....CC(C(=O)O)Oc1cc(C |
5c00 | 6c 29 63 28 63 63 31 43 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 0f ea bf c6 52 01 00 | l)c(cc1Cl)Cl..updated_at.....R.. |
5c20 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 e8 ac bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at.....R....default_fi |
5c40 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0b 00 00 00 02 69 6e 63 68 69 00 4e 00 00 00 49 6e | ngerprint_size......inchi.N...In |
5c60 | 43 68 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 | ChI=1S/C9H7Cl3O3/c1-4(9(13)14)15 |
5c80 | 2d 38 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 | -8-3-6(11)5(10)2-7(8)12/h2-4H,1H |
5ca0 | 33 2c 28 48 2c 31 33 2c 31 34 29 00 00 ab 05 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 | 3,(H,13,14)......._id.V..4+r.5o. |
5cc0 | 00 21 04 77 61 72 6e 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 | .!.warnings.......fingerprints.M |
5ce0 | 03 00 00 04 4d 50 32 44 00 42 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d | ....MP2D.B....0.....1;1-1-8;2-1- |
5d00 | 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 02 | 3;..1.....8;1-1-1;1-1-3;2-2-3;.. |
5d20 | 32 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 | 2.!...3;1-2-3;1-1-8;2-1-1;2-2-3; |
5d40 | 32 2d 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 | 2-1-6;..3.....3;1-2-3;2-2-3;2-1- |
5d60 | 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 31 2d 31 39 3b 00 | 8;..4.....3;1-2-3;2-2-3;2-1-19;. |
5d80 | 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 32 2d 32 2d | .5.....3;1-2-3;1-1-19;2-2-3;2-2- |
5da0 | 39 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 36 3b 32 2d | 9;..6.....3;1-2-3;2-2-3;2-1-6;2- |
5dc0 | 31 2d 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 | 1-19;..7.!...3;1-2-3;1-1-6;2-2-3 |
5de0 | 3b 32 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 | ;2-1-6;2-1-8;..8.....6;1-1-3;1-1 |
5e00 | 2d 36 3b 32 2d 33 2d 33 3b 00 02 39 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 | -6;2-3-3;..9.!...3;1-2-3;1-1-6;2 |
5e20 | 2d 33 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 31 30 00 21 00 00 00 33 3b 31 2d 32 2d | -3-3;2-1-6;2-1-8;..10.!...3;1-2- |
5e40 | 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 31 00 0f | 3;1-1-8;2-1-2;2-2-3;2-1-6;..11.. |
5e60 | 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 28 00 00 00 33 3b 31 2d 31 2d | ...8;1-1-3;2-2-3;..12.(...3;1-1- |
5e80 | 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 31 2d 32 38 | 2;1-2-3;2-2-3;2-1-8;2-1-9;2-1-28 |
5ea0 | 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 33 2d 33 3b 00 02 | ;..13.....3;1-2-3;2-1-2;2-3-3;.. |
5ec0 | 31 34 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 35 00 15 00 00 00 33 3b | 14.....3;1-3-3;2-4-3;..15.....3; |
5ee0 | 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 36 00 0f 00 00 00 33 3b 31 2d 32 | 1-3-3;2-4-3;2-1-6;..16.....3;1-2 |
5f00 | 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 32 2d 32 2d 33 3b | -3;2-3-3;..17.....3;1-2-3;2-2-3; |
5f20 | 00 02 31 38 00 1c 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 | ..18.....2;1-1-3;1-1-9;1-1-28;2- |
5f40 | 33 2d 33 3b 00 02 31 39 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 | 3-3;..19.....9;1-1-2;2-1-3;2-1-2 |
5f60 | 38 3b 00 02 32 30 00 1c 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 33 2d 33 3b | 8;..20.....28;1-1-2;1-1-3;2-3-3; |
5f80 | 32 2d 31 2d 39 3b 00 02 32 31 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;..21.....3;1-2-3;1-1-28;2- |
5fa0 | 31 2d 32 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 | 1-2;2-2-3;..22.....3;1-2-3;2-2-3 |
5fc0 | 3b 32 2d 31 2d 32 38 3b 00 02 32 33 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | ;2-1-28;..23.....3;1-2-3;2-2-3;2 |
5fe0 | 2d 31 2d 31 39 3b 32 2d 31 2d 32 38 3b 00 02 32 34 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 | -1-19;2-1-28;..24.....19;1-1-3;1 |
6000 | 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 32 35 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 | -2-9;2-2-3;..25.....9;1-1-19;2-1 |
6020 | 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 | -3;2-1-9;....dataset_ids......0. |
6040 | 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba | V..4+r.5o....1.V..:+r.5o....2.V. |
6060 | 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d | .;+r.5o....3.V..<+r.5o....4.V..= |
6080 | 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 | +r.5o....5.V..>+r.5o....6.V..?+r |
60a0 | ed 35 6f 00 01 cb 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 | .5o....7.V..@+r.5o....8.V..A+r.5 |
60c0 | 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f | o....9.V..B+r.5o....10.V..C+r.5o |
60e0 | 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 | .....features./....56ba0c342b72e |
6100 | 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 a5 2c db 87 ca 3b 11 40 00 00 02 73 6d | d356f000000......0..,...;.@...sm |
6120 | 69 6c 65 73 00 41 00 00 00 43 4f 63 31 63 63 63 28 63 63 31 4e 3d 4e 63 31 63 28 4f 29 63 28 63 | iles.A...COc1ccc(cc1N=Nc1c(O)c(c |
6140 | 63 32 63 31 63 63 63 63 32 29 43 28 3d 4f 29 4e 63 31 63 63 63 63 28 63 31 29 4e 28 3d 4f 29 3d | c2c1cccc2)C(=O)Nc1cccc(c1)N(=O)= |
6160 | 4f 29 4e 28 3d 4f 29 3d 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 92 e9 bf c6 52 01 00 00 09 63 | O)N(=O)=O..updated_at.....R....c |
6180 | 72 65 61 74 65 64 5f 61 74 00 f0 ac bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.....R....default_finge |
61a0 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 1a 00 00 00 02 69 6e 63 68 69 00 9c 00 00 00 49 6e 43 68 49 | rprint_size......inchi.....InChI |
61c0 | 3d 31 53 2f 43 32 34 48 31 37 4e 35 4f 37 2f 63 31 2d 33 36 2d 32 31 2d 31 30 2d 39 2d 31 37 28 | =1S/C24H17N5O7/c1-36-21-10-9-17( |
61e0 | 32 39 28 33 34 29 33 35 29 31 33 2d 32 30 28 32 31 29 32 36 2d 32 37 2d 32 32 2d 31 38 2d 38 2d | 29(34)35)13-20(21)26-27-22-18-8- |
6200 | 33 2d 32 2d 35 2d 31 34 28 31 38 29 31 31 2d 31 39 28 32 33 28 32 32 29 33 30 29 32 34 28 33 31 | 3-2-5-14(18)11-19(23(22)30)24(31 |
6220 | 29 32 35 2d 31 35 2d 36 2d 34 2d 37 2d 31 36 28 31 32 2d 31 35 29 32 38 28 33 32 29 33 33 2f 68 | )25-15-6-4-7-16(12-15)28(32)33/h |
6240 | 32 2d 31 33 2c 33 30 48 2c 31 48 33 2c 28 48 2c 32 35 2c 33 31 29 00 00 cf 03 00 00 07 5f 69 64 | 2-13,30H,1H3,(H,25,31)......._id |
6260 | 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 22 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..4+r.5o..".warnings.......fin |
6280 | 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 0f 00 00 00 38 | gerprints......MP2D......0.....8 |
62a0 | 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 31 | ;1-1-1;2-1-1;..1.....1;1-1-1;1-1 |
62c0 | 2d 38 3b 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 | -8;2-1-19;..2.....1;1-1-1;1-1-19 |
62e0 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 33 00 1c 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d | ;2-1-3;2-1-8;..3.....19;1-1-1;1- |
6300 | 31 2d 33 3b 32 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 | 1-3;2-1-1;2-2-3;..4."...3;1-2-3; |
6320 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 35 00 16 00 00 | 1-1-19;2-1-1;2-2-3;2-1-8;..5.... |
6340 | 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 3b | .3;1-2-3;2-2-3;2-1-19;..6.....3; |
6360 | 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 37 00 1c 00 00 | 1-2-3;1-1-19;2-2-3;2-2-9;..7.... |
6380 | 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 38 00 | .3;1-2-3;2-2-3;2-1-8;2-1-19;..8. |
63a0 | 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 3b 32 2d | "...3;1-2-3;1-1-8;2-1-1;2-2-3;2- |
63c0 | 31 2d 31 39 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 31 2d 31 | 1-19;..9.....8;1-1-1;1-1-3;2-1-1 |
63e0 | 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 31 2d 38 3b 32 2d | ;2-2-3;..10.....1;1-1-1;1-1-8;2- |
6400 | 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 | 1-3;2-1-8;..11.....1;1-1-1;1-1-8 |
6420 | 3b 32 2d 31 2d 38 3b 00 02 31 32 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 | ;2-1-8;..12.....19;1-1-3;1-2-9;2 |
6440 | 2d 32 2d 33 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 | -2-3;..13.....9;1-1-19;2-1-3;2-1 |
6460 | 2d 39 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 | -9;....dataset_ids......0.V..4+r |
6480 | ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 | .5o....1.V..:+r.5o....2.V..;+r.5 |
64a0 | 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 | o....3.V..<+r.5o....4.V..=+r.5o. |
64c0 | 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc | ...5.V..>+r.5o....6.V..?+r.5o... |
64e0 | 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 | .7.V..@+r.5o....8.V..A+r.5o....9 |
6500 | 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 00 03 66 | .V..B+r.5o....10.V..C+r.5o.....f |
6520 | 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 | eatures./....56ba0c342b72ed356f0 |
6540 | 30 30 30 30 30 00 10 00 00 00 01 30 00 70 95 a4 8f 9e 40 ee 3f 00 00 02 73 6d 69 6c 65 73 00 1a | 00000......0.p....@.?...smiles.. |
6560 | 00 00 00 4f 43 43 4e 63 31 63 63 63 28 63 63 31 4f 43 43 4f 29 4e 28 3d 4f 29 3d 4f 00 09 75 70 | ...OCCNc1ccc(cc1OCCO)N(=O)=O..up |
6580 | 64 61 74 65 64 5f 61 74 00 6e e6 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f7 ac bf | dated_at.n...R....created_at.... |
65a0 | c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0e | .R....default_fingerprint_size.. |
65c0 | 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 30 48 31 34 4e 32 4f | ....inchi.X...InChI=1S/C10H14N2O |
65e0 | 35 2f 63 31 33 2d 34 2d 33 2d 31 31 2d 39 2d 32 2d 31 2d 38 28 31 32 28 31 35 29 31 36 29 37 2d | 5/c13-4-3-11-9-2-1-8(12(15)16)7- |
6600 | 31 30 28 39 29 31 37 2d 36 2d 35 2d 31 34 2f 68 31 2d 32 2c 37 2c 31 31 2c 31 33 2d 31 34 48 2c | 10(9)17-6-5-14/h1-2,7,11,13-14H, |
6620 | 33 2d 36 48 32 00 00 36 04 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 23 04 77 61 72 | 3-6H2..6...._id.V..4+r.5o..#.war |
6640 | 6e 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 02 00 00 04 4d 50 | nings.......fingerprints.;....MP |
6660 | 32 44 00 30 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 | 2D.0....0.....1;1-1-1;2-1-8;..1. |
6680 | 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 16 00 00 00 | ....1;1-1-1;1-1-8;2-1-1;..2..... |
66a0 | 38 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 33 00 22 00 00 00 31 3b 31 | 8;1-2-1;2-1-1;2-1-28;..3."...1;1 |
66c0 | 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 33 3b 00 02 | -1-8;1-1-28;2-1-1;2-1-2;2-1-3;.. |
66e0 | 34 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 3b 32 2d 31 2d 31 | 4.....28;1-1-1;1-1-2;1-1-3;2-1-1 |
6700 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 00 22 00 00 00 33 3b 31 2d 32 | ;2-2-3;2-1-8;2-1-9;..5."...3;1-2 |
6720 | 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 33 3b 00 02 36 00 | -3;1-1-28;2-3-1;2-1-2;2-2-3;..6. |
6740 | 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 32 38 3b 00 | ....3;1-1-1;1-2-3;2-2-3;2-1-28;. |
6760 | 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 00 00 00 33 3b 31 | .7.....1;1-1-3;2-2-3;..8.....3;1 |
6780 | 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 33 | -2-3;2-1-1;2-2-3;..9.....3;1-2-3 |
67a0 | 3b 32 2d 32 2d 33 3b 00 02 31 30 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-3;..10."...3;1-1-1;1-2-3;2- |
67c0 | 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 31 00 15 00 00 00 31 3b 31 2d 31 2d | 1-1;2-2-3;2-1-28;..11.....1;1-1- |
67e0 | 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 31 3b 32 | 1;1-1-3;2-2-3;..12.....1;1-1-1;2 |
6800 | 2d 31 2d 33 3b 00 02 31 33 00 29 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d | -1-3;..13.)...2;1-1-1;1-1-9;1-1- |
6820 | 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 34 00 16 00 00 00 39 | 28;2-1-1;2-1-3;2-1-15;..14.....9 |
6840 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 35 00 1d 00 00 00 31 3b 31 | ;1-1-2;2-1-1;2-1-28;..15.....1;1 |
6860 | 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 36 00 10 00 | -1-2;1-1-15;2-1-9;2-1-28;..16... |
6880 | 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 | ..15;1-1-1;2-1-2;....dataset_ids |
68a0 | 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f | ......0.V..4+r.5o....1.V..:+r.5o |
68c0 | 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 | ....2.V..;+r.5o....3.V..<+r.5o.. |
68e0 | c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 | ..4.V..=+r.5o....5.V..>+r.5o.... |
6900 | 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 | 6.V..?+r.5o....7.V..@+r.5o....8. |
6920 | 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 | V..A+r.5o....9.V..B+r.5o....10.V |
6940 | ba 0c 43 2b 72 ed 35 6f 00 01 d3 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 | ..C+r.5o.....features./....56ba0 |
6960 | 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 a2 8b e0 12 63 | c342b72ed356f000000......0.....c |
6980 | b9 c7 3f 00 00 02 73 6d 69 6c 65 73 00 1d 00 00 00 43 43 4f 43 4e 28 63 31 63 28 43 29 63 63 63 | ..?...smiles.....CCOCN(c1c(C)ccc |
69a0 | 63 31 43 43 29 43 28 3d 4f 29 43 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 63 e6 bf c6 52 01 | c1CC)C(=O)CCl..updated_at.c...R. |
69c0 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 fe ac bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at.....R....default_f |
69e0 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 11 00 00 00 02 69 6e 63 68 69 00 5d 00 00 00 49 | ingerprint_size......inchi.]...I |
6a00 | 6e 43 68 49 3d 31 53 2f 43 31 34 48 32 30 43 6c 4e 4f 32 2f 63 31 2d 34 2d 31 32 2d 38 2d 36 2d | nChI=1S/C14H20ClNO2/c1-4-12-8-6- |
6a20 | 37 2d 31 31 28 33 29 31 34 28 31 32 29 31 36 28 31 30 2d 31 38 2d 35 2d 32 29 31 33 28 31 37 29 | 7-11(3)14(12)16(10-18-5-2)13(17) |
6a40 | 39 2d 31 35 2f 68 36 2d 38 48 2c 34 2d 35 2c 39 2d 31 30 48 32 2c 31 2d 33 48 33 00 00 d9 04 00 | 9-15/h6-8H,4-5,9-10H2,1-3H3..... |
6a60 | 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 24 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V..4+r.5o..$.warnings..... |
6a80 | 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 97 02 00 00 02 30 00 | ..fingerprints......MP2D......0. |
6aa0 | 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 33 3b 31 2d 32 | ....15;1-1-3;2-2-3;..1.....3;1-2 |
6ac0 | 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 00 00 00 33 3b | -3;1-1-15;2-2-3;2-1-8;..2.....3; |
6ae0 | 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 33 00 1c 00 00 | 1-2-3;2-1-1;2-2-3;2-1-15;..3.... |
6b00 | 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 34 00 | .3;1-1-1;1-2-3;2-2-3;2-3-16;..4. |
6b20 | 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..... |
6b40 | 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 00 33 3b 31 2d | 3;1-2-3;2-2-3;2-1-8;..6.....3;1- |
6b60 | 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 0f 00 00 00 38 | 2-3;1-1-8;2-3-3;2-1-15;..7.....8 |
6b80 | 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 2d 31 | ;1-2-3;2-4-3;..8.....3;1-2-3;1-1 |
6ba0 | 2d 38 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 32 | -8;2-3-3;..9.....3;1-2-3;2-2-3;2 |
6bc0 | 2d 31 2d 31 39 3b 00 02 31 30 00 29 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d | -1-19;..10.)...3;1-2-3;1-1-19;2- |
6be0 | 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 31 00 23 00 00 00 | 1-2;2-2-3;2-1-9;2-1-32;..11.#... |
6c00 | 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 |
6c20 | 32 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 32 | 2;..12.....3;1-2-3;2-1-2;2-2-3;2 |
6c40 | 2d 31 2d 38 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 | -1-8;..13.....2;1-1-3;1-2-32;2-2 |
6c60 | 2d 33 3b 00 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 | -3;..14.....32;1-1-2;2-1-3;2-1-3 |
6c80 | 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 2d 31 2d 33 32 | 2;..15.....19;1-1-3;1-1-9;1-1-32 |
6ca0 | 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 31 2d 33 3b 32 | ;2-2-3;..16.....9;1-1-19;2-1-3;2 |
6cc0 | 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 31 2d 33 3b 32 | -1-32;..17.....32;1-1-19;2-1-3;2 |
6ce0 | 2d 31 2d 39 3b 00 02 31 38 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;..18.....1;1-1-3;1-3-16;2-2 |
6d00 | 2d 33 3b 00 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 | -3;..19.....16;1-1-1;2-1-3;2-2-1 |
6d20 | 36 3b 00 02 32 30 00 04 00 00 00 32 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 | 6;..20.....21;....dataset_ids... |
6d40 | 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 | ...0.V..4+r.5o....1.V..:+r.5o... |
6d60 | 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 | .2.V..;+r.5o....3.V..<+r.5o....4 |
6d80 | 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 | .V..<+r.5o....5.V..>+r.5o....6.V |
6da0 | ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c | ..?+r.5o....7.V..@+r.5o....8.V.. |
6dc0 | 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 | A+r.5o....9.V..B+r.5o....10.V..C |
6de0 | 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 | +r.5o.....features./....56ba0c34 |
6e00 | 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 a8 c8 95 71 39 07 de 3f | 2b72ed356f000000......0....q9..? |
6e20 | 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( |
6e40 | 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) |
6e60 | 28 46 29 46 2e 5b 4e 61 2b 5d 00 09 75 70 64 61 74 65 64 5f 61 74 00 37 e9 bf c6 52 01 00 00 09 | (F)F.[Na+]..updated_at.7...R.... |
6e80 | 63 72 65 61 74 65 64 5f 61 74 00 06 ad bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at.....R....default_fing |
6ea0 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 15 00 00 00 02 69 6e 63 68 69 00 79 00 00 00 49 6e 43 68 | erprint_size......inchi.y...InCh |
6ec0 | 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( |
6ee0 | 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 |
6f00 | 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 |
6f20 | 2c 28 48 2c 32 30 2c 32 31 29 3b 2f 71 3b 2b 31 2f 70 2d 31 00 00 03 04 00 00 07 5f 69 64 00 56 | ,(H,20,21);/q;+1/p-1......._id.V |
6f40 | ba 0c 34 2b 72 ed 35 6f 00 00 25 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..4+r.5o..%.warnings.......finge |
6f60 | 72 70 72 69 6e 74 73 00 dd 01 00 00 04 4d 50 32 44 00 d2 01 00 00 02 30 00 0f 00 00 00 31 3b 31 | rprints......MP2D......0.....1;1 |
6f80 | 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 |
6fa0 | 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 |
6fc0 | 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- |
6fe0 | 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; |
7000 | 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 |
7020 | 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 |
7040 | 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- |
7060 | 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- |
7080 | 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; |
70a0 | 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 29 00 00 00 32 | ..9.....3;1-2-3;2-2-3;..10.)...2 |
70c0 | 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 3b | ;1-1-1;1-1-9;1-1-28;2-1-1;2-1-3; |
70e0 | 32 2d 31 2d 31 35 3b 00 02 31 31 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d | 2-1-15;..11.....9;1-1-2;2-1-1;2- |
7100 | 31 2d 32 38 3b 00 02 31 32 00 1d 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 31 | 1-28;..12.....1;1-1-2;1-1-15;2-1 |
7120 | 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d | -9;2-1-28;..13.....15;1-1-1;2-1- |
7140 | 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed | 2;....dataset_ids......0.V..4+r. |
7160 | 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f | 5o....1.V..:+r.5o....2.V..;+r.5o |
7180 | 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 | ....3.V..<+r.5o....4.V..=+r.5o.. |
71a0 | c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 | ..5.V..>+r.5o....6.V..?+r.5o.... |
71c0 | 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 38 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 39 00 | 7.V..?+r.5o....8.V..@+r.5o....9. |
71e0 | 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 31 00 | V..@+r.5o....10.V..A+r.5o....11. |
7200 | 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 | V..B+r.5o....12.V..C+r.5o.....fe |
7220 | 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 | atures.:....56ba0c342b72ed356f00 |
7240 | 30 30 30 30 00 1b 00 00 00 01 30 00 5c 74 0d 7d 10 78 ac 3f 01 31 00 78 4a c8 85 31 92 aa 3f 00 | 0000......0.\t.}.x.?.1.xJ..1..?. |
7260 | 00 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 | ..smiles.....COCN(c1c(CC)cccc1CC |
7280 | 29 43 28 3d 4f 29 43 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 f1 e9 bf c6 52 01 00 00 09 63 | )C(=O)CCl..updated_at.....R....c |
72a0 | 72 65 61 74 65 64 5f 61 74 00 0e ad bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.....R....default_finge |
72c0 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 0e 00 00 00 02 69 6e 63 68 69 00 5d 00 00 00 49 6e 43 68 49 | rprint_size......inchi.]...InChI |
72e0 | 3d 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 | =1S/C14H20ClNO2/c1-4-11-7-6-8-12 |
7300 | 28 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 | (5-2)14(11)16(10-18-3)13(17)9-15 |
7320 | 2f 68 36 2d 38 48 2c 34 2d 35 2c 39 2d 31 30 48 32 2c 31 2d 33 48 33 00 00 be 03 00 00 07 5f 69 | /h6-8H,4-5,9-10H2,1-3H3......._i |
7340 | 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 26 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..4+r.5o..&.warnings.......fi |
7360 | 6e 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 | ngerprints......MP2D......0..... |
7380 | 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- |
73a0 | 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 33 3b | 1-8;2-1-3;..2.....8;1-1-1;1-1-3; |
73c0 | 32 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 | 2-1-1;2-2-3;..3."...3;1-2-3;1-1- |
73e0 | 38 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 | 8;2-1-1;2-2-3;2-1-19;..4.....3;1 |
7400 | 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 2d 33 | -2-3;2-2-3;2-1-8;..5.....3;1-2-3 |
7420 | 3b 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 | ;2-2-3;2-1-28;..6.....3;1-2-3;1- |
7440 | 31 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 | 1-28;2-1-2;2-2-3;..7.....3;1-2-3 |
7460 | 3b 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 | ;2-2-3;2-1-19;2-1-28;..8.....3;1 |
7480 | 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 39 00 10 00 00 00 | -2-3;1-1-19;2-2-3;2-1-8;..9..... |
74a0 | 31 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 | 19;1-1-3;2-2-3;..10."...28;1-1-2 |
74c0 | 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 31 00 1c 00 | ;1-1-3;2-1-1;2-2-3;2-1-9;..11... |
74e0 | 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 33 3b 00 02 31 | ..2;1-1-1;1-1-9;1-1-28;2-1-3;..1 |
7500 | 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 02 31 33 00 | 2.....9;1-1-2;2-1-1;2-1-28;..13. |
7520 | 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 00 00 04 64 61 74 | ....1;1-1-2;2-1-9;2-1-28;....dat |
7540 | 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 | aset_ids......0.V..4+r.5o....1.V |
7560 | ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c | ..:+r.5o....2.V..;+r.5o....3.V.. |
7580 | 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b | <+r.5o....4.V..=+r.5o....5.V..>+ |
75a0 | 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed | r.5o....6.V..?+r.5o....7.V..@+r. |
75c0 | 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f | 5o....8.V..A+r.5o....9.V..B+r.5o |
75e0 | 00 01 d1 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 | ....10.V..C+r.5o.....features./. |
7600 | 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 | ...56ba0c342b72ed356f000000..... |
7620 | 01 30 00 50 9d 76 51 6d 67 18 40 00 00 02 73 6d 69 6c 65 73 00 16 00 00 00 43 43 4f 63 31 63 63 | .0.P.vQmg.@...smiles.....CCOc1cc |
7640 | 63 28 63 63 31 4e 29 4e 43 28 3d 4f 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 6f ea bf c6 52 | c(cc1N)NC(=O)C..updated_at.o...R |
7660 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 15 ad bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.....R....default_ |
7680 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0e 00 00 00 02 69 6e 63 68 69 00 56 00 00 00 | fingerprint_size......inchi.V... |
76a0 | 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 |
76c0 | 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 |
76e0 | 2c 31 31 48 32 2c 31 2d 32 48 33 2c 28 48 2c 31 32 2c 31 33 29 00 00 6c 02 00 00 07 5f 69 64 00 | ,11H2,1-2H3,(H,12,13)..l...._id. |
7700 | 56 ba 0c 34 2b 72 ed 35 6f 00 00 27 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..4+r.5o..'.warnings.......fing |
7720 | 65 72 70 72 69 6e 74 73 00 af 00 00 00 04 4d 50 32 44 00 a4 00 00 00 02 30 00 10 00 00 00 31 39 | erprints......MP2D......0.....19 |
7740 | 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 |
7760 | 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 3b | -19;2-2-3;..2.....3;1-2-3;2-2-3; |
7780 | 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 31 | 2-1-19;..3.....3;1-2-3;2-2-3;2-1 |
77a0 | 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 3b 00 | -8;..4.....3;1-2-3;1-1-8;2-2-3;. |
77c0 | 02 35 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 | .5.....8;1-1-3;2-2-3;....dataset |
77e0 | 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b | _ids......0.V..4+r.5o....1.V..:+ |
7800 | 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed | r.5o....2.V..;+r.5o....3.V..<+r. |
7820 | 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f | 5o....4.V..=+r.5o....5.V..=+r.5o |
7840 | 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 | ....6.V..?+r.5o....7.V..@+r.5o.. |
7860 | ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 | ..8.V..A+r.5o....9.V..B+r.5o.... |
7880 | 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 | 10.V..C+r.5o.....features./....5 |
78a0 | 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 8f | 6ba0c342b72ed356f000000......0.. |
78c0 | 9c bd 95 30 25 19 40 00 00 02 73 6d 69 6c 65 73 00 0d 00 00 00 4e 63 31 63 63 63 28 63 63 31 29 | ...0%.@...smiles.....Nc1ccc(cc1) |
78e0 | 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 53 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 | O..updated_at.S...R....created_a |
7900 | 74 00 1b ad bf c6 52 01 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....default_fingerprint_s |
7920 | 69 7a 65 00 06 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 37 | ize......inchi./...InChI=1S/C6H7 |
7940 | 4e 4f 2f 63 37 2d 35 2d 31 2d 33 2d 36 28 38 29 34 2d 32 2d 35 2f 68 31 2d 34 2c 38 48 2c 37 48 | NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H |
7960 | 32 00 00 a5 02 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 28 04 77 61 72 6e 69 6e 67 | 2......._id.V..4+r.5o..(.warning |
7980 | 73 00 05 00 00 00 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 | s.......fingerprints......MP2D.. |
79a0 | 00 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 35 3b 00 02 | ....0.....1;1-1-1;2-1-1;2-1-5;.. |
79c0 | 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 33 3b 00 02 32 00 21 00 | 1.....1;1-2-1;1-1-5;2-1-3;..2.!. |
79e0 | 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 2d 31 2d | ..1;1-1-1;1-1-3;2-1-1;2-2-3;2-1- |
7a00 | 35 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 31 2d 31 3b 32 2d | 5;..3.....3;1-1-1;1-2-3;2-1-1;2- |
7a20 | 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 32 2d 32 2d 33 3b | 2-3;..4.....3;1-2-3;2-1-1;2-2-3; |
7a40 | 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 00 35 3b | ..5.....3;1-2-3;2-2-3;..6.....5; |
7a60 | 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 | 1-1-1;2-2-1;....dataset_ids..... |
7a80 | 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 | .0.V..4+r.5o....1.V..:+r.5o....2 |
7aa0 | 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 | .V..:+r.5o....3.V..<+r.5o....4.V |
7ac0 | ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c | ..=+r.5o....5.V..>+r.5o....6.V.. |
7ae0 | 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b | ?+r.5o....7.V..@+r.5o....8.V..A+ |
7b00 | 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 | r.5o....9.V..B+r.5o....10.V..C+r |
7b20 | ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 | .5o.....features./....56ba0c342b |
7b40 | 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 b5 9f 98 41 1d ef a2 3f 00 00 | 72ed356f000000......0....A...?.. |
7b60 | 02 73 6d 69 6c 65 73 00 0f 00 00 00 43 43 28 43 63 31 63 63 63 63 63 31 29 4e 00 09 75 70 64 61 | .smiles.....CC(Cc1ccccc1)N..upda |
7b80 | 74 65 64 5f 61 74 00 b4 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 22 ad bf c6 52 | ted_at.....R....created_at."...R |
7ba0 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 07 00 00 | ....default_fingerprint_size.... |
7bc0 | 00 02 69 6e 63 68 69 00 3b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 33 4e 2f 63 31 2d 38 | ..inchi.;...InChI=1S/C9H13N/c1-8 |
7be0 | 28 31 30 29 37 2d 39 2d 35 2d 33 2d 32 2d 34 2d 36 2d 39 2f 68 32 2d 36 2c 38 48 2c 37 2c 31 30 | (10)7-9-5-3-2-4-6-9/h2-6,8H,7,10 |
7c00 | 48 32 2c 31 48 33 00 00 dc 02 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 29 04 77 61 | H2,1H3......._id.V..4+r.5o..).wa |
7c20 | 72 6e 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 01 00 00 04 4d | rnings.......fingerprints......M |
7c40 | 50 32 44 00 07 01 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 | P2D......0.....1;1-1-2;2-1-2;..1 |
7c60 | 00 15 00 00 00 32 3b 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 | .....2;1-1-1;1-1-2;2-1-3;..2.... |
7c80 | 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 33 3b 00 02 33 00 1b | .2;1-1-2;1-1-3;2-1-1;2-2-3;..3.. |
7ca0 | 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 34 | ...3;1-1-2;1-2-3;2-1-2;2-2-3;..4 |
7cc0 | 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 15 00 00 | .....3;1-2-3;2-1-2;2-2-3;..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 1b 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 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 15 00 00 00 38 | -2-3;1-1-8;2-1-1;2-2-3;..7.....8 |
7d20 | 3b 31 2d 31 2d 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 2d 31 | ;1-1-1;1-1-3;2-2-3;..8.....1;1-1 |
7d40 | 2d 38 3b 32 2d 31 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 | -8;2-1-3;....dataset_ids......0. |
7d60 | 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba | V..4+r.5o....1.V..:+r.5o....2.V. |
7d80 | 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d | .;+r.5o....3.V..<+r.5o....4.V..= |
7da0 | 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 | +r.5o....5.V..>+r.5o....6.V..?+r |
7dc0 | ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 | .5o....7.V..@+r.5o....8.V..A+r.5 |
7de0 | 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f | o....9.V..B+r.5o....10.V..C+r.5o |
7e00 | 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 | .....features./....56ba0c342b72e |
7e20 | 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 29 a2 31 00 bd 91 02 40 00 00 02 73 6d | d356f000000......0.).1....@...sm |
7e40 | 69 6c 65 73 00 11 00 00 00 43 43 3d 43 63 31 63 63 63 28 63 63 31 29 4f 43 00 09 75 70 64 61 74 | iles.....CC=Cc1ccc(cc1)OC..updat |
7e60 | 65 64 5f 61 74 00 69 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 28 ad bf c6 52 01 | ed_at.i...R....created_at.(...R. |
7e80 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 09 00 00 00 | ...default_fingerprint_size..... |
7ea0 | 02 69 6e 63 68 69 00 38 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 32 4f 2f 63 31 2d 33 | .inchi.8...InChI=1S/C10H12O/c1-3 |
7ec0 | 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 2d 38 48 2c 31 2d 32 | -4-9-5-7-10(11-2)8-6-9/h3-8H,1-2 |
7ee0 | 48 33 00 00 93 02 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 2a 04 77 61 72 6e 69 6e | H3......._id.V..4+r.5o..*.warnin |
7f00 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 d1 00 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
7f20 | c6 00 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.... |
7f40 | 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 3b 31 | .8;1-1-1;1-1-3;2-2-3;..2.....3;1 |
7f60 | 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 00 33 | -2-3;1-1-8;2-1-1;2-2-3;..3.....3 |
7f80 | 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 31 2d 32 | ;1-2-3;2-2-3;2-1-8;..4.....3;1-2 |
7fa0 | 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; |
7fc0 | 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 36 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d | 1-1-19;2-2-3;..6.....19;1-1-3;2- |
7fe0 | 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b | 2-3;....dataset_ids......0.V..4+ |
8000 | 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed | r.5o....1.V..:+r.5o....2.V..:+r. |
8020 | 35 6f 00 01 c3 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f | 5o....3.V..<+r.5o....4.V..=+r.5o |
8040 | 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 | ....5.V..>+r.5o....6.V..?+r.5o.. |
8060 | cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 | ..7.V..@+r.5o....8.V..A+r.5o.... |
8080 | 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 | 9.V..B+r.5o....10.V..C+r.5o..... |
80a0 | 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 | features./....56ba0c342b72ed356f |
80c0 | 30 30 30 30 30 30 00 10 00 00 00 01 30 00 64 1a ef ae 85 ca 0e 40 00 00 02 73 6d 69 6c 65 73 00 | 000000......0.d......@...smiles. |
80e0 | 0e 00 00 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 83 e8 | ....COc1ccc(cc1)N..updated_at... |
8100 | bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 2f ad bf c6 52 01 00 00 10 64 65 66 61 75 | ..R....created_at./...R....defau |
8120 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 07 00 00 00 02 69 6e 63 68 69 00 33 | lt_fingerprint_size......inchi.3 |
8140 | 00 00 00 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 | ...InChI=1S/C7H9NO/c1-9-7-4-2-6( |
8160 | 38 29 33 2d 35 2d 37 2f 68 32 2d 35 48 2c 38 48 32 2c 31 48 33 00 00 cb 02 00 00 07 5f 69 64 00 | 8)3-5-7/h2-5H,8H2,1H3......._id. |
8180 | 56 ba 0c 34 2b 72 ed 35 6f 00 00 2b 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..4+r.5o..+.warnings.......fing |
81a0 | 65 72 70 72 69 6e 74 73 00 fe 00 00 00 04 4d 50 32 44 00 f3 00 00 00 02 30 00 17 00 00 00 33 32 | erprints......MP2D......0.....32 |
81c0 | 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 3b 31 2d | ;1-1-2;2-1-3;2-1-32;..1.....2;1- |
81e0 | 31 2d 33 3b 31 2d 32 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 32 00 23 00 00 00 33 3b 31 2d 31 2d 32 | 1-3;1-2-32;2-2-3;..2.#...3;1-1-2 |
8200 | 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 32 3b 00 02 33 00 15 | ;1-2-3;2-2-3;2-1-19;2-2-32;..3.. |
8220 | 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 00 33 | ...3;1-2-3;2-1-2;2-2-3;..4.....3 |
8240 | 3b 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 | ;1-2-3;2-2-3;..5.....3;1-2-3;2-2 |
8260 | 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 36 00 1c 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 |
8280 | 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d | ;2-1-2;2-2-3;..7.....19;1-1-3;2- |
82a0 | 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b | 2-3;....dataset_ids......0.V..4+ |
82c0 | 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed | r.5o....1.V..:+r.5o....2.V..:+r. |
82e0 | 35 6f 00 01 c3 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f | 5o....3.V..<+r.5o....4.V..=+r.5o |
8300 | 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 | ....5.V..>+r.5o....6.V..?+r.5o.. |
8320 | cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 | ..7.V..@+r.5o....8.V..A+r.5o.... |
8340 | 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 | 9.V..B+r.5o....10.V..C+r.5o..... |
8360 | 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 | features./....56ba0c342b72ed356f |
8380 | 30 30 30 30 30 30 00 10 00 00 00 01 30 00 3b 03 26 20 75 0f 34 40 00 00 02 73 6d 69 6c 65 73 00 | 000000......0.;.&.u.4@...smiles. |
83a0 | 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. |
83c0 | 80 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 36 ad bf c6 52 01 00 00 10 64 65 66 | ....R....created_at.6...R....def |
83e0 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 08 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
8400 | 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 |
8420 | 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) |
8440 | 00 00 92 02 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 2c 04 77 61 72 6e 69 6e 67 73 | ......._id.V..4+r.5o..,.warnings |
8460 | 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 32 44 00 b5 00 | .......fingerprints......MP2D... |
8480 | 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..... |
84a0 | 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 |
84c0 | 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- |
84e0 | 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;.. |
8500 | 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- |
8520 | 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 35 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 | 2-3;2-3-3;2-1-15;....dataset_ids |
8540 | 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f | ......0.V..4+r.5o....1.V..:+r.5o |
8560 | 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 | ....2.V..;+r.5o....3.V..<+r.5o.. |
8580 | c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 | ..4.V..=+r.5o....5.V..>+r.5o.... |
85a0 | 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 00 | 6.V..?+r.5o....7.V..@+r.5o....8. |
85c0 | 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 | V..A+r.5o....9.V..B+r.5o....10.V |
85e0 | ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 | ..C+r.5o.....features./....56ba0 |
8600 | 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 a7 5c 21 e6 3a | c342b72ed356f000000......0..\!.: |
8620 | b6 95 3f 00 00 02 73 6d 69 6c 65 73 00 15 00 00 00 43 6c 63 31 63 63 63 63 28 63 31 29 63 31 63 | ..?...smiles.....Clc1cccc(c1)c1c |
8640 | 63 63 63 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 dc e9 bf c6 52 01 00 00 09 63 72 65 61 74 | cccc1..updated_at.....R....creat |
8660 | 65 64 5f 61 74 00 3c ad bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at.<...R....default_fingerpri |
8680 | 6e 74 5f 73 69 7a 65 00 07 00 00 00 02 69 6e 63 68 69 00 3c 00 00 00 49 6e 43 68 49 3d 31 53 2f | nt_size......inchi.<...InChI=1S/ |
86a0 | 43 31 32 48 39 43 6c 2f 63 31 33 2d 31 32 2d 38 2d 34 2d 37 2d 31 31 28 39 2d 31 32 29 31 30 2d | C12H9Cl/c13-12-8-4-7-11(9-12)10- |
86c0 | 35 2d 32 2d 31 2d 33 2d 36 2d 31 30 2f 68 31 2d 39 48 00 00 83 04 00 00 07 5f 69 64 00 56 ba 0c | 5-2-1-3-6-10/h1-9H......._id.V.. |
86e0 | 34 2b 72 ed 35 6f 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 | 4+r.5o..-.warnings.......fingerp |
8700 | 72 69 6e 74 73 00 64 02 00 00 04 4d 50 32 44 00 59 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 | rints.d....MP2D.Y....0.....1;1-1 |
8720 | 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 32 | -8;2-1-2;..1.....8;1-1-1;1-1-2;2 |
8740 | 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 31 2d 38 | -1-1;2-1-9;..2."...2;1-1-1;1-1-8 |
8760 | 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 00 00 39 3b 31 2d | ;1-1-9;2-2-1;2-1-28;..3.....9;1- |
8780 | 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 31 2d 31 2d 31 3b | 1-2;2-1-1;2-1-8;..4.....1;1-1-1; |
87a0 | 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 2d 31 2d 38 3b 32 | 1-1-2;1-1-28;2-1-2;2-1-3;2-1-8;2 |
87c0 | 2d 31 2d 39 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 32 2d | -1-9;..5."...28;1-1-1;1-1-2;2-2- |
87e0 | 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 36 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d | 1;2-1-2;2-1-9;..6."...2;1-1-1;1- |
8800 | 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 37 00 16 00 00 00 39 | 1-9;1-1-28;2-2-1;2-1-5;..7.....9 |
8820 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 38 00 28 00 00 00 31 3b 31 2d | ;1-1-2;2-1-1;2-1-28;..8.(...1;1- |
8840 | 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 35 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d | 1-1;1-1-2;1-1-5;2-1-2;2-1-9;2-1- |
8860 | 32 38 3b 00 02 39 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 | 28;..9."...1;1-1-1;1-1-2;2-1-2;2 |
8880 | 2d 31 2d 35 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 | -1-5;2-2-32;..10.....2;1-1-1;1-2 |
88a0 | 2d 33 32 3b 32 2d 31 2d 31 3b 00 02 31 31 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d | -32;2-1-1;..11.....32;1-1-2;2-1- |
88c0 | 31 3b 32 2d 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 | 1;2-1-32;..12.....5;1-1-1;2-1-1; |
88e0 | 32 2d 31 2d 32 3b 00 02 31 33 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 | 2-1-2;..13."...1;1-1-1;1-1-3;2-1 |
8900 | 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 34 00 1b 00 00 00 33 3b 31 2d 31 2d 31 | -2;2-2-3;2-1-28;..14.....3;1-1-1 |
8920 | 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- |
8940 | 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 2d 32 2d 33 | 2-3;2-1-1;2-2-3;..16.....3;1-2-3 |
8960 | 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba | ;2-2-3;....dataset_ids......0.V. |
8980 | 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b | .4+r.5o....1.V..:+r.5o....2.V..; |
89a0 | 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3d 2b 72 | +r.5o....3.V..;+r.5o....4.V..=+r |
89c0 | ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 | .5o....5.V..>+r.5o....6.V..?+r.5 |
89e0 | 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 | o....7.V..@+r.5o....8.V..A+r.5o. |
8a00 | 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 | ...9.V..B+r.5o....10.V..C+r.5o.. |
8a20 | d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 | ...features./....56ba0c342b72ed3 |
8a40 | 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 67 a6 3d 05 90 f7 df 3f 00 00 02 73 6d 69 6c | 56f000000......0.g.=....?...smil |
8a60 | 65 73 00 25 00 00 00 43 4f 43 28 3d 4f 29 43 28 4e 43 28 3d 4f 29 43 28 43 43 28 3d 4f 29 4f 29 | es.%...COC(=O)C(NC(=O)C(CC(=O)O) |
8a80 | 4e 29 43 63 31 63 63 63 63 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 e5 e8 bf c6 52 01 00 00 | N)Cc1ccccc1..updated_at.....R... |
8aa0 | 09 63 72 65 61 74 65 64 5f 61 74 00 43 ad bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.C...R....default_fin |
8ac0 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 11 00 00 00 02 69 6e 63 68 69 00 79 00 00 00 49 6e 43 | gerprint_size......inchi.y...InC |
8ae0 | 68 49 3d 31 53 2f 43 31 34 48 31 38 4e 32 4f 35 2f 63 31 2d 32 31 2d 31 34 28 32 30 29 31 31 28 | hI=1S/C14H18N2O5/c1-21-14(20)11( |
8b00 | 37 2d 39 2d 35 2d 33 2d 32 2d 34 2d 36 2d 39 29 31 36 2d 31 33 28 31 39 29 31 30 28 31 35 29 38 | 7-9-5-3-2-4-6-9)16-13(19)10(15)8 |
8b20 | 2d 31 32 28 31 37 29 31 38 2f 68 32 2d 36 2c 31 30 2d 31 31 48 2c 37 2d 38 2c 31 35 48 32 2c 31 | -12(17)18/h2-6,10-11H,7-8,15H2,1 |
8b40 | 48 33 2c 28 48 2c 31 36 2c 31 39 29 28 48 2c 31 37 2c 31 38 29 00 00 ff 04 00 00 07 5f 69 64 00 | H3,(H,16,19)(H,17,18)......._id. |
8b60 | 56 ba 0c 34 2b 72 ed 35 6f 00 00 2e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..4+r.5o....warnings.......fing |
8b80 | 65 72 70 72 69 6e 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 | erprints......MP2D......0.....1; |
8ba0 | 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- |
8bc0 | 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- |
8be0 | 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 3b | 2-1;2-1-9;..3.!...2;1-1-1;1-1-8; |
8c00 | 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 31 2d | 1-1-9;2-2-1;2-1-8;..4.....9;1-1- |
8c20 | 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 31 2d | 2;2-1-1;2-1-8;..5.'...1;1-1-1;1- |
8c40 | 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 00 | 1-2;1-1-8;2-1-3;2-1-8;2-1-9;..6. |
8c60 | 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 32 2d | !...8;1-1-1;1-1-3;2-1-1;2-1-2;2- |
8c80 | 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; |
8ca0 | 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- |
8cc0 | 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 33 2d 33 3b 00 02 | 8;..9.....3;1-2-3;1-1-8;2-3-3;.. |
8ce0 | 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 31 31 | 10.....8;1-2-3;2-3-3;2-1-11;..11 |
8d00 | 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 33 3b | .#...3;1-1-3;1-1-8;1-1-11;2-2-3; |
8d20 | 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 2d 31 2d 31 31 3b 32 | 2-1-11;..12.#...3;1-1-3;1-1-11;2 |
8d40 | 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 31 3b 31 2d | -1-3;2-1-8;2-1-11;..13.....11;1- |
8d60 | 32 2d 33 3b 32 2d 33 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 | 2-3;2-3-3;..14.....3;1-2-3;1-1-1 |
8d80 | 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 35 00 16 00 00 00 31 31 3b 31 2d 32 2d 33 | 1;2-3-3;2-1-11;..15.....11;1-2-3 |
8da0 | 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | ;2-3-3;2-1-8;..16.....3;1-2-3;2- |
8dc0 | 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 37 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-3;2-1-11;..17.....3;1-2-3;2-2- |
8de0 | 33 3b 32 2d 31 2d 31 35 3b 00 02 31 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 | 3;2-1-15;..18.....3;1-2-3;1-1-15 |
8e00 | 3b 32 2d 32 2d 33 3b 00 02 31 39 00 1d 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- |
8e20 | 31 2d 31 31 3b 32 2d 31 2d 31 35 3b 00 02 32 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d | 1-11;2-1-15;..20.....15;1-1-3;2- |
8e40 | 32 2d 33 3b 00 02 32 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 | 2-3;..21.....1;1-1-1;2-1-2;2-1-8 |
8e60 | 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 | ;....dataset_ids......0.V..4+r.5 |
8e80 | 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 | o....1.V..:+r.5o....2.V..;+r.5o. |
8ea0 | 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 | ...3.V..;+r.5o....4.V..=+r.5o... |
8ec0 | 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 | .5.V..>+r.5o....6.V..?+r.5o....7 |
8ee0 | 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 | .V..@+r.5o....8.V..A+r.5o....9.V |
8f00 | ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 | ..B+r.5o....10.V..C+r.5o.....fea |
8f20 | 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 | tures./....56ba0c342b72ed356f000 |
8f40 | 30 30 30 00 10 00 00 00 01 30 00 4e db 07 67 78 53 84 3f 00 00 02 73 6d 69 6c 65 73 00 2d 00 00 | 000......0.N..gxS.?...smiles.-.. |
8f60 | 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 63 6e 63 32 63 28 6e | .CCOC(=O)C(Oc1ccc(cc1)Oc1cnc2c(n |
8f80 | 31 29 63 63 63 28 63 32 29 43 6c 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 fd e8 bf c6 52 01 | 1)ccc(c2)Cl)C..updated_at.....R. |
8fa0 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 4b ad bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at.K...R....default_f |
8fc0 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 16 00 00 00 02 69 6e 63 68 69 00 76 00 00 00 49 | ingerprint_size......inchi.v...I |
8fe0 | 6e 43 68 49 3d 31 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 | nChI=1S/C19H17ClN2O4/c1-3-24-19( |
9000 | 32 33 29 31 32 28 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 | 23)12(2)25-14-5-7-15(8-6-14)26-1 |
9020 | 38 2d 31 31 2d 32 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 | 8-11-21-17-10-13(20)4-9-16(17)22 |
9040 | 2d 31 38 2f 68 34 2d 31 32 48 2c 33 48 32 2c 31 2d 32 48 33 00 00 93 03 00 00 07 5f 69 64 00 56 | -18/h4-12H,3H2,1-2H3......._id.V |
9060 | ba 0c 34 2b 72 ed 35 6f 00 00 2f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..4+r.5o../.warnings.......finge |
9080 | 72 70 72 69 6e 74 73 00 a2 01 00 00 04 4d 50 32 44 00 97 01 00 00 02 30 00 0f 00 00 00 31 3b 31 | rprints......MP2D......0.....1;1 |
90a0 | 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 3b 31 2d 31 2d 32 | -1-8;2-1-2;..1.....8;1-1-1;1-1-2 |
90c0 | 3b 32 2d 31 2d 39 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 | ;2-1-9;2-1-28;..2.#...2;1-1-8;1- |
90e0 | 31 2d 39 3b 31 2d 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 | 1-9;1-1-28;2-1-1;2-1-30;..3..... |
9100 | 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 00 00 32 38 3b | 9;1-1-2;2-1-8;2-1-28;..4.#...28; |
9120 | 31 2d 31 2d 32 3b 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 | 1-1-2;1-1-30;2-1-3;2-1-8;2-3-9;. |
9140 | 02 35 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 | .5.#...30;1-1-3;1-2-9;1-1-28;2-1 |
9160 | 2d 32 3b 32 2d 32 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 | -2;2-2-3;..6.....9;1-1-30;2-1-3; |
9180 | 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 37 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | 2-1-9;2-1-28;..7.#...3;1-2-3;1-1 |
91a0 | 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 38 00 16 00 00 00 33 | -30;2-2-3;2-2-9;2-1-28;..8.....3 |
91c0 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 39 00 16 00 00 00 33 3b 31 2d | ;1-2-3;2-2-3;2-1-30;..9.....3;1- |
91e0 | 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- |
9200 | 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 00 02 31 31 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 | 3;1-1-19;2-2-3;..11.....19;1-1-3 |
9220 | 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba | ;2-2-3;....dataset_ids......0.V. |
9240 | 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b | .4+r.5o....1.V..:+r.5o....2.V..; |
9260 | 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 | +r.5o....3.V..<+r.5o....4.V..<+r |
9280 | ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 | .5o....5.V..>+r.5o....6.V..?+r.5 |
92a0 | 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 | o....7.V..@+r.5o....8.V..A+r.5o. |
92c0 | 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 | ...9.V..B+r.5o....10.V..C+r.5o.. |
92e0 | d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 | ...features./....56ba0c342b72ed3 |
9300 | 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 cc 43 8e 72 6b 04 e9 3f 00 00 02 73 6d 69 6c | 56f000000......0..C.rk..?...smil |
9320 | 65 73 00 1d 00 00 00 43 4f 43 28 3d 4f 29 4e 53 28 3d 4f 29 28 3d 4f 29 63 31 63 63 63 28 63 63 | es.....COC(=O)NS(=O)(=O)c1ccc(cc |
9340 | 31 29 4e 00 09 75 70 64 61 74 65 64 5f 61 74 00 31 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 | 1)N..updated_at.1...R....created |
9360 | 5f 61 74 00 52 ad bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at.R...R....default_fingerprint |
9380 | 5f 73 69 7a 65 00 0c 00 00 00 02 69 6e 63 68 69 00 53 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 | _size......inchi.S...InChI=1S/C8 |
93a0 | 48 31 30 4e 32 4f 34 53 2f 63 31 2d 31 34 2d 38 28 31 31 29 31 30 2d 31 35 28 31 32 2c 31 33 29 | H10N2O4S/c1-14-8(11)10-15(12,13) |
93c0 | 37 2d 34 2d 32 2d 36 28 39 29 33 2d 35 2d 37 2f 68 32 2d 35 48 2c 39 48 32 2c 31 48 33 2c 28 48 | 7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H |
93e0 | 2c 31 30 2c 31 31 29 00 00 90 04 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 30 04 77 | ,10,11)......._id.V..4+r.5o..0.w |
9400 | 61 72 6e 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 00 04 | arnings.......fingerprints.L.... |
9420 | 4d 50 32 44 00 41 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 | MP2D.A....0.....1;1-1-8;2-1-12;. |
9440 | 02 31 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 | .1.$...8;1-1-1;1-1-12;2-1-8;2-1- |
9460 | 31 30 3b 32 2d 31 2d 31 38 3b 00 02 32 00 1e 00 00 00 31 32 3b 31 2d 32 2d 38 3b 31 2d 31 2d 31 | 10;2-1-18;..2.....12;1-2-8;1-1-1 |
9480 | 30 3b 31 2d 31 2d 31 38 3b 32 2d 33 2d 31 3b 00 02 33 00 18 00 00 00 31 38 3b 31 2d 31 2d 31 32 | 0;1-1-18;2-3-1;..3.....18;1-1-12 |
94a0 | 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 30 3b 00 02 34 00 25 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 | ;2-2-8;2-1-10;..4.%...10;1-1-1;1 |
94c0 | 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 35 00 25 00 | -1-12;2-2-8;2-1-11;2-1-18;..5.%. |
94e0 | 00 00 31 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 | ..1;1-1-10;1-1-11;2-1-3;2-1-11;2 |
9500 | 2d 31 2d 31 32 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 | -1-12;..6.1...11;1-1-1;1-1-3;1-1 |
9520 | 2d 31 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 31 3b 00 02 | -11;2-1-3;2-1-9;2-1-10;2-1-11;.. |
9540 | 37 00 17 00 00 00 31 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 | 7.....11;1-2-11;2-1-1;2-2-3;..8. |
9560 | 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 |
9580 | 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- |
95a0 | 31 2d 31 31 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 1-11;..10.....3;1-3-3;2-2-3;2-1- |
95c0 | 39 3b 32 2d 32 2d 31 31 3b 00 02 31 31 00 29 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b | 9;2-2-11;..11.)...3;1-1-3;1-1-9; |
95e0 | 31 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 32 00 16 | 1-1-11;2-1-1;2-2-3;2-1-11;..12.. |
9600 | 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 33 00 0f 00 00 | ...9;1-1-3;2-1-3;2-1-11;..13.... |
9620 | 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 31 2d 32 2d 33 3b | .3;1-2-3;2-3-3;..14.....3;1-2-3; |
9640 | 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 |
9660 | 2d 31 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 db 00 00 00 07 30 00 56 ba 0c 34 2b | -11;....dataset_ids......0.V..4+ |
9680 | 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3a 2b 72 ed | r.5o....1.V..9+r.5o....2.V..:+r. |
96a0 | 35 6f 00 01 c2 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f | 5o....3.V..;+r.5o....4.V..<+r.5o |
96c0 | 00 01 c6 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 | ....5.V..=+r.5o....6.V..=+r.5o.. |
96e0 | c9 07 37 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 38 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 | ..7.V..>+r.5o....8.V..?+r.5o.... |
9700 | 39 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 31 30 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 | 9.V..?+r.5o....10.V..@+r.5o....1 |
9720 | 31 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 32 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 | 1.V..A+r.5o....12.V..B+r.5o....1 |
9740 | 33 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 45 00 00 00 04 35 36 | 3.V..C+r.5o.....features.E....56 |
9760 | 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 26 00 00 00 01 30 00 fc 49 | ba0c342b72ed356f000000.&....0..I |
9780 | c8 fe 60 96 52 3f 01 31 00 9a f3 18 8e f7 0a 7d 3f 01 32 00 9d 17 3e e4 b6 a6 80 3f 00 00 02 73 | ..`.R?.1.......}?.2...>....?...s |
97a0 | 6d 69 6c 65 73 00 20 00 00 00 43 4f 50 28 3d 53 29 28 53 43 6e 31 6e 6e 63 32 63 28 63 31 3d 4f | miles.....COP(=S)(SCn1nnc2c(c1=O |
97c0 | 29 63 63 63 63 32 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 8e e9 bf c6 52 01 00 00 09 63 | )cccc2)OC..updated_at.....R....c |
97e0 | 72 65 61 74 65 64 5f 61 74 00 59 ad bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.Y...R....default_finge |
9800 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 10 00 00 00 02 69 6e 63 68 69 00 5d 00 00 00 49 6e 43 68 49 | rprint_size......inchi.]...InChI |
9820 | 3d 31 53 2f 43 31 30 48 31 32 4e 33 4f 33 50 53 32 2f 63 31 2d 31 35 2d 31 37 28 31 38 2c 31 36 | =1S/C10H12N3O3PS2/c1-15-17(18,16 |
9840 | 2d 32 29 31 39 2d 37 2d 31 33 2d 31 30 28 31 34 29 38 2d 35 2d 33 2d 34 2d 36 2d 39 28 38 29 31 | -2)19-7-13-10(14)8-5-3-4-6-9(8)1 |
9860 | 31 2d 31 32 2d 31 33 2f 68 33 2d 36 48 2c 37 48 32 2c 31 2d 32 48 33 00 00 7f 03 00 00 07 5f 69 | 1-12-13/h3-6H,7H2,1-2H3......._i |
9880 | 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 31 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..4+r.5o..1.warnings.......fi |
98a0 | 6e 67 65 72 70 72 69 6e 74 73 00 97 01 00 00 04 4d 50 32 44 00 8c 01 00 00 02 30 00 10 00 00 00 | ngerprints......MP2D......0..... |
98c0 | 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; |
98e0 | 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- |
9900 | 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.. |
9920 | 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."... |
9940 | 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 |
9960 | 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 31 2d 32 3b 32 2d 32 | ;..5.!...3;1-2-3;1-1-8;2-1-2;2-2 |
9980 | 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 32 2d 32 2d 33 3b 32 | -3;2-1-8;..6.....3;1-2-3;2-2-3;2 |
99a0 | 2d 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 21 | -1-8;..7.....3;1-2-3;2-2-3;..8.! |
99c0 | 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 31 | ...3;1-2-3;1-1-8;2-1-1;2-2-3;2-1 |
99e0 | 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 2d 31 3b 32 | -8;..9.....8;1-1-1;1-1-3;2-2-1;2 |
9a00 | 2d 32 2d 33 3b 00 02 31 30 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d | -2-3;..10.....1;1-2-1;1-1-8;2-1- |
9a20 | 33 3b 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 | 3;..11.....1;1-1-1;2-1-1;2-1-8;. |
9a40 | 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 | ...dataset_ids......0.V..4+r.5o. |
9a60 | 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 | ...1.V..:+r.5o....2.V..;+r.5o... |
9a80 | 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 | .3.V..<+r.5o....4.V..=+r.5o....5 |
9aa0 | 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 | .V..>+r.5o....6.V..?+r.5o....7.V |
9ac0 | ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c | ..@+r.5o....8.V..A+r.5o....9.V.. |
9ae0 | 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 00 03 66 65 61 74 75 | B+r.5o....10.V..C+r.5o.....featu |
9b00 | 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 | res./....56ba0c342b72ed356f00000 |
9b20 | 30 00 10 00 00 00 01 30 00 f1 ce d2 dd 2d 96 ce 3f 00 00 02 73 6d 69 6c 65 73 00 17 00 00 00 43 | 0......0.....-..?...smiles.....C |
9b40 | 4e 43 28 3d 4f 29 4f 63 31 63 63 63 63 63 31 4f 43 28 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 | NC(=O)Oc1ccccc1OC(C)C..updated_a |
9b60 | 74 00 74 e6 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 61 ad bf c6 52 01 00 00 10 64 | t.t...R....created_at.a...R....d |
9b80 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0c 00 00 00 02 69 6e 63 | efault_fingerprint_size......inc |
9ba0 | 68 69 00 50 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 31 48 31 35 4e 4f 33 2f 63 31 2d 38 28 32 | hi.P...InChI=1S/C11H15NO3/c1-8(2 |
9bc0 | 29 31 34 2d 39 2d 36 2d 34 2d 35 2d 37 2d 31 30 28 39 29 31 35 2d 31 31 28 31 33 29 31 32 2d 33 | )14-9-6-4-5-7-10(9)15-11(13)12-3 |
9be0 | 2f 68 34 2d 38 48 2c 31 2d 33 48 33 2c 28 48 2c 31 32 2c 31 33 29 00 00 6d 04 00 00 07 5f 69 64 | /h4-8H,1-3H3,(H,12,13)..m...._id |
9c00 | 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 32 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..4+r.5o..2.warnings.......fin |
9c20 | 67 65 72 70 72 69 6e 74 73 00 3d 02 00 00 04 4d 50 32 44 00 32 02 00 00 02 30 00 0f 00 00 00 39 | gerprints.=....MP2D.2....0.....9 |
9c40 | 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 02 31 00 22 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 | ;1-1-2;2-2-1;..1."...2;1-2-1;1-1 |
9c60 | 2d 39 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 32 00 1b 00 00 00 31 3b | -9;2-3-1;2-1-8;2-1-11;..2.....1; |
9c80 | 31 2d 33 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 33 00 15 00 00 00 | 1-3-1;1-1-2;2-1-1;2-1-9;..3..... |
9ca0 | 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 00 2f 00 00 00 31 3b 31 2d | 1;1-1-1;2-2-1;2-1-2;..4./...1;1- |
9cc0 | 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 2d 33 3b 32 2d 31 | 1-2;1-1-8;1-1-11;2-1-1;2-2-3;2-1 |
9ce0 | 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 35 00 30 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 | -9;2-1-11;..5.0...11;1-1-1;1-1-3 |
9d00 | 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 32 2d 31 2d 31 31 | ;1-1-11;2-1-2;2-1-3;2-1-8;2-1-11 |
9d20 | 3b 00 02 36 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 | ;..6.$...11;1-1-3;1-1-11;2-1-1;2 |
9d40 | 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 37 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 | -1-3;2-1-11;..7.....3;1-2-11;2-1 |
9d60 | 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 11 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 | -3;2-1-11;..8.....11;1-2-3;2-2-1 |
9d80 | 31 3b 00 02 39 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;..9.....3;1-2-11;2-1-1;2-1-3;2 |
9da0 | 2d 31 2d 31 31 3b 00 02 31 30 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 | -1-11;..10."...8;1-1-1;1-1-3;2-1 |
9dc0 | 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 1b 00 00 00 33 3b 31 2d 32 2d 33 | -2;2-2-3;2-1-11;..11.....3;1-2-3 |
9de0 | 3b 31 2d 31 2d 38 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 | ;1-1-8;2-1-1;2-2-3;..12.....3;1- |
9e00 | 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 33 3b 31 2d 32 2d 33 | 2-3;2-2-3;2-1-8;..13.....3;1-2-3 |
9e20 | 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 3b 31 | ;2-2-3;2-1-15;..14.....3;1-2-3;1 |
9e40 | 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 33 3b 32 2d | -1-15;2-2-3;..15.....15;1-1-3;2- |
9e60 | 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b | 2-3;....dataset_ids......0.V..4+ |
9e80 | 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3a 2b 72 ed | r.5o....1.V..9+r.5o....2.V..:+r. |
9ea0 | 35 6f 00 01 c2 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 34 00 56 ba 0c 3b 2b 72 ed 35 6f | 5o....3.V..;+r.5o....4.V..;+r.5o |
9ec0 | 00 01 c5 07 35 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 36 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 | ....5.V..<+r.5o....6.V..=+r.5o.. |
9ee0 | c8 07 37 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 38 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 | ..7.V..>+r.5o....8.V..?+r.5o.... |
9f00 | 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 | 9.V..@+r.5o....10.V..A+r.5o....1 |
9f20 | 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 | 1.V..B+r.5o....12.V..C+r.5o..... |
9f40 | 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 | features.:....56ba0c342b72ed356f |
9f60 | 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 1b c5 77 4b 8e c9 b5 3f 01 31 00 9f b2 64 e5 69 d6 d8 | 000000......0...wK...?.1...d.i.. |
9f80 | 3f 00 00 02 73 6d 69 6c 65 73 00 25 00 00 00 4f 3d 43 28 43 28 43 29 28 43 29 43 29 43 28 6e 31 | ?...smiles.%...O=C(C(C)(C)C)C(n1 |
9fa0 | 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 74 65 64 5f 61 74 00 | ncnc1)Oc1ccc(cc1)Cl..updated_at. |
9fc0 | e4 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 6b ad bf c6 52 01 00 00 10 64 65 66 | ....R....created_at.k...R....def |
9fe0 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 10 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
a000 | 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 32 2f 63 31 2d 31 34 | ._...InChI=1S/C14H16ClN3O2/c1-14 |
a020 | 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 37 2d 31 38 29 32 30 | (2,3)12(19)13(18-9-16-8-17-18)20 |
a040 | 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 2c 31 33 48 2c 31 2d | -11-6-4-10(15)5-7-11/h4-9,13H,1- |
a060 | 33 48 33 00 00 7f 06 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 33 04 77 61 72 6e 69 | 3H3......._id.V..4+r.5o..3.warni |
a080 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 b8 03 00 00 04 4d 50 32 44 | ngs.......fingerprints......MP2D |
a0a0 | 00 ad 03 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 1b 00 | ......0.....1;1-1-1;2-1-6;..1... |
a0c0 | 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 32 00 | ..1;1-1-1;1-1-6;2-1-1;2-1-2;..2. |
a0e0 | 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 2d 32 2d 32 3b 32 2d | !...6;1-2-1;1-1-2;2-1-1;2-2-2;2- |
a100 | 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 3b 32 2d 32 2d 31 3b | 1-3;..3.....2;1-2-2;1-1-6;2-2-1; |
a120 | 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 2d 32 3b 32 2d 31 2d | 2-2-2;..4.....2;1-2-2;2-2-2;2-1- |
a140 | 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 02 36 00 15 00 00 00 | 6;..5.....2;1-2-2;2-3-2;..6..... |
a160 | 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 00 00 00 32 3b 31 2d | 2;1-3-2;2-2-2;2-2-3;..7.....2;1- |
a180 | 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 00 1b 00 00 00 33 3b | 1-2;1-2-3;2-2-2;2-4-3;..8.....3; |
a1a0 | 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 39 00 15 00 00 00 | 1-1-2;1-2-3;2-1-2;2-3-3;..9..... |
a1c0 | 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 31 | 3;1-2-3;2-1-2;2-2-3;..10.....3;1 |
a1e0 | 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 00 00 33 3b 31 2d 32 | -2-3;2-2-3;2-1-19;..11.....3;1-2 |
a200 | 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 32 00 1c 00 00 00 31 | -3;1-1-19;2-2-1;2-2-3;..12.....1 |
a220 | 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 33 00 1c | 9;1-2-1;1-1-3;2-1-1;2-3-3;..13.. |
a240 | 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 00 02 | ...1;1-1-3;1-1-19;2-1-1;2-3-3;.. |
a260 | 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 |
a280 | 39 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 | 9;..15.....3;1-2-3;2-1-1;2-2-3;. |
a2a0 | 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 00 00 33 | .16.....3;1-2-3;2-2-3;..17.....3 |
a2c0 | 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 22 00 00 00 33 3b 31 | ;1-2-3;2-2-3;2-1-10;..18."...3;1 |
a2e0 | 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 02 | -2-3;1-1-10;2-2-3;2-1-8;2-2-9;.. |
a300 | 31 39 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 | 19.....3;1-2-3;2-1-1;2-2-3;2-1-1 |
a320 | 30 3b 00 02 32 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 | 0;..20.....10;1-1-3;1-1-8;1-2-9; |
a340 | 32 2d 32 2d 33 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 32 2d | 2-2-3;..21.....9;1-1-10;2-1-3;2- |
a360 | 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 31 2d | 1-8;2-1-9;..22.....8;1-1-10;2-1- |
a380 | 33 3b 32 2d 32 2d 39 3b 00 02 32 33 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b | 3;2-2-9;..23.....1;1-1-1;1-1-19; |
a3a0 | 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 34 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 | 2-1-1;2-1-3;..24.....1;1-1-1;2-1 |
a3c0 | 2d 31 39 3b 00 02 32 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 | -19;..25.....19;1-2-1;1-1-3;2-2- |
a3e0 | 33 3b 00 02 32 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 | 3;..26.....1;1-1-19;2-1-1;2-1-3; |
a400 | 00 02 32 37 00 21 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 3b 32 2d 31 | ..27.!...1;1-1-3;1-1-6;2-1-1;2-1 |
a420 | 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 38 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b | -2;2-2-3;..28.....3;1-1-1;1-2-3; |
a440 | 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 | 2-2-3;2-1-6;....dataset_ids..... |
a460 | 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 | .0.V..4+r.5o....1.V..:+r.5o....2 |
a480 | 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 | .V..;+r.5o....3.V..<+r.5o....4.V |
a4a0 | ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c | ..=+r.5o....5.V..>+r.5o....6.V.. |
a4c0 | 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b | ?+r.5o....7.V..@+r.5o....8.V..A+ |
a4e0 | 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 30 00 56 ba 0c 43 2b 72 | r.5o....9.V..B+r.5o....10.V..C+r |
a500 | ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 | .5o.....features./....56ba0c342b |
a520 | 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 fd 26 4a 25 cf 28 f0 3f 00 00 | 72ed356f000000......0..&J%.(.?.. |
a540 | 02 73 6d 69 6c 65 73 00 61 00 00 00 43 43 5b 4e 5d 28 3d 43 31 43 3d 43 43 28 3d 43 28 63 32 63 | .smiles.a...CC[N](=C1C=CC(=C(c2c |
a560 | 63 63 28 63 63 32 29 4e 28 43 63 32 63 63 63 63 28 63 32 29 53 28 3d 4f 29 28 3d 4f 29 4f 29 43 | cc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)C |
a580 | 43 29 63 32 63 63 63 28 63 63 32 29 4e 28 43 29 43 29 43 3d 43 31 29 43 63 31 63 63 63 63 28 63 | C)c2ccc(cc2)N(C)C)C=C1)Cc1cccc(c |
a5a0 | 31 29 53 28 3d 4f 29 28 3d 4f 29 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 6b ea bf c6 52 01 00 | 1)S(=O)(=O)O..updated_at.k...R.. |
a5c0 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 74 ad bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at.t...R....default_fi |
a5e0 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 1d 00 00 00 02 69 6e 63 68 69 00 e5 00 00 00 49 6e | ngerprint_size......inchi.....In |
a600 | 43 68 49 3d 31 53 2f 43 33 39 48 34 32 4e 33 4f 36 53 32 2f 63 31 2d 35 2d 34 31 28 32 37 2d 32 | ChI=1S/C39H42N3O6S2/c1-5-41(27-2 |
a620 | 39 2d 39 2d 37 2d 31 31 2d 33 37 28 32 35 2d 32 39 29 34 39 28 34 33 2c 34 34 29 34 35 29 33 35 | 9-9-7-11-37(25-29)49(43,44)45)35 |
a640 | 2d 32 31 2d 31 35 2d 33 32 28 31 36 2d 32 32 2d 33 35 29 33 39 28 33 31 2d 31 33 2d 31 39 2d 33 | -21-15-32(16-22-35)39(31-13-19-3 |
a660 | 34 28 32 30 2d 31 34 2d 33 31 29 34 30 28 33 29 34 29 33 33 2d 31 37 2d 32 33 2d 33 36 28 32 34 | 4(20-14-31)40(3)4)33-17-23-36(24 |
a680 | 2d 31 38 2d 33 33 29 34 32 28 36 2d 32 29 32 38 2d 33 30 2d 31 30 2d 38 2d 31 32 2d 33 38 28 32 | -18-33)42(6-2)28-30-10-8-12-38(2 |
a6a0 | 36 2d 33 30 29 35 30 28 34 36 2c 34 37 29 34 38 2f 68 37 2d 32 36 48 2c 35 2d 36 2c 32 37 2d 32 | 6-30)50(46,47)48/h7-26H,5-6,27-2 |
a6c0 | 38 48 32 2c 31 2d 34 48 33 2c 28 48 2c 34 33 2c 34 34 2c 34 35 29 28 48 2c 34 36 2c 34 37 2c 34 | 8H2,1-4H3,(H,43,44,45)(H,46,47,4 |
a6e0 | 38 29 00 00 1e 02 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 34 04 77 61 72 6e 69 6e | 8)......._id.V..4+r.5o..4.warnin |
a700 | 67 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 | gs.......fingerprints.R....MP2D. |
a720 | 47 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 31 00 0f 00 00 | G....0.....3;1-2-3;2-2-3;..1.... |
a740 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 32 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 | .3;1-2-3;2-3-3;..2.....3;1-3-3;2 |
a760 | 2d 34 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 | -4-3;....dataset_ids......0.V..4 |
a780 | 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 | +r.5o....1.V..:+r.5o....2.V..;+r |
a7a0 | ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 | .5o....3.V..<+r.5o....4.V..=+r.5 |
a7c0 | 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 | o....5.V..>+r.5o....6.V..?+r.5o. |
a7e0 | 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 | ...7.V..@+r.5o....8.V..A+r.5o... |
a800 | 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 00 | .9.V..B+r.5o....10.V..C+r.5o.... |
a820 | 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 | .features./....56ba0c342b72ed356 |
a840 | 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 59 03 7f f3 63 f0 f9 3f 00 00 02 73 6d 69 6c 65 73 | f000000......0.Y...c..?...smiles |
a860 | 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 64 61 74 65 64 | .....c1ccc(cc1)c1ccccc1..updated |
a880 | 5f 61 74 00 77 e6 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 7b ad bf c6 52 01 00 00 | _at.w...R....created_at.{...R... |
a8a0 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 03 00 00 00 02 69 | .default_fingerprint_size......i |
a8c0 | 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 2d 33 2d 37 2d | nchi.8...InChI=1S/C12H10/c1-3-7- |
a8e0 | 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 31 2d 31 30 48 | 11(8-4-1)12-9-5-2-6-10-12/h1-10H |
a900 | 00 00 08 02 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 35 04 77 61 72 6e 69 6e 67 73 | ......._id.V..4+r.5o..5.warnings |
a920 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 5f 00 00 00 04 4d 50 32 44 00 54 00 | .......fingerprints._....MP2D.T. |
a940 | 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 31 2d 31 35 3b | ...0.....15;1-1-1;2-1-14;2-1-15; |
a960 | 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 00 11 00 00 00 | ..1.....1;1-1-14;1-2-15;..2..... |
a980 | 31 34 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 | 14;1-1-1;2-2-15;....dataset_ids. |
a9a0 | ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 | .....0.V..4+r.5o....1.V..:+r.5o. |
a9c0 | 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 | ...2.V..;+r.5o....3.V..<+r.5o... |
a9e0 | 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 | .4.V..=+r.5o....5.V..=+r.5o....6 |
aa00 | 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 | .V..?+r.5o....7.V..@+r.5o....8.V |
aa20 | ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba | ..A+r.5o....9.V..B+r.5o....10.V. |
aa40 | 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 | .C+r.5o.....features./....56ba0c |
aa60 | 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 e4 4c 0c 62 73 64 | 342b72ed356f000000......0..L.bsd |
aa80 | e9 3f 00 00 02 73 6d 69 6c 65 73 00 0a 00 00 00 43 6c 43 28 42 72 29 43 6c 00 09 75 70 64 61 74 | .?...smiles.....ClC(Br)Cl..updat |
aaa0 | 65 64 5f 61 74 00 64 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 82 ad bf c6 52 01 | ed_at.d...R....created_at.....R. |
aac0 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 03 00 00 00 | ...default_fingerprint_size..... |
aae0 | 02 69 6e 63 68 69 00 1e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 48 42 72 43 6c 32 2f 63 32 2d 31 | .inchi.....InChI=1S/CHBrCl2/c2-1 |
ab00 | 28 33 29 34 2f 68 31 48 00 00 bd 03 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 36 04 | (3)4/h1H......._id.V..4+r.5o..6. |
ab20 | 77 61 72 6e 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 01 00 00 | warnings.......fingerprints..... |
ab40 | 04 4d 50 32 44 00 a3 01 00 00 02 30 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b | .MP2D......0.....15;1-1-1;2-1-1; |
ab60 | 32 2d 31 2d 31 35 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 | 2-1-15;..1.....1;1-1-1;1-2-15;2- |
ab80 | 31 2d 31 30 3b 32 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 | 1-10;2-2-15;..2.%...1;1-1-1;1-1- |
aba0 | 31 30 3b 31 2d 32 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 | 10;1-2-15;2-2-15;2-1-28;..3.$... |
abc0 | 31 30 3b 31 2d 31 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 | 10;1-1-1;1-1-28;2-1-1;2-2-2;2-2- |
abe0 | 31 35 3b 00 02 34 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;..4.....28;1-2-2;1-1-10;2-3-1 |
ac00 | 3b 32 2d 32 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 | ;2-2-9;..5.)...2;1-1-1;1-1-9;1-1 |
ac20 | 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 36 00 16 00 00 00 39 | -28;2-2-1;2-1-2;2-1-10;..6.....9 |
ac40 | 3b 31 2d 31 2d 32 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 | ;1-1-2;2-1-1;2-1-28;..7.(...1;1- |
ac60 | 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- |
ac80 | 32 38 3b 00 02 38 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 | 28;..8.....1;1-1-1;1-1-2;2-1-1;2 |
aca0 | 2d 32 2d 32 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 32 2d 31 | -2-2;..9.....2;1-1-1;1-1-2;2-2-1 |
acc0 | 3b 00 02 31 30 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 | ;..10.....15;1-1-1;2-1-1;2-1-10; |
ace0 | 32 2d 31 2d 31 35 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba | 2-1-15;....dataset_ids......0.V. |
ad00 | 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b | .4+r.5o....1.V..:+r.5o....2.V..; |
ad20 | 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 | +r.5o....3.V..<+r.5o....4.V..<+r |
ad40 | ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 | .5o....5.V..>+r.5o....6.V..?+r.5 |
ad60 | 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 | o....7.V..@+r.5o....8.V..A+r.5o. |
ad80 | 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 | ...9.V..B+r.5o....10.V..C+r.5o.. |
ada0 | d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 | ...features.:....56ba0c342b72ed3 |
adc0 | 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 64 4d 40 90 fc 99 a1 3f 01 31 00 bc 60 50 b4 | 56f000000......0.dM@....?.1..`P. |
ade0 | 7b 00 a6 3f 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 4f 29 | {..?...smiles.(...ClC(C(SN1C(=O) |
ae00 | 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 09 75 70 64 61 74 | C2C(C1=O)CC=CC2)(Cl)Cl)Cl..updat |
ae20 | 65 64 5f 61 74 00 3f e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 89 ad bf c6 52 01 | ed_at.?...R....created_at.....R. |
ae40 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0b 00 00 00 | ...default_fingerprint_size..... |
ae60 | 02 69 6e 63 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 | .inchi.[...InChI=1S/C10H9Cl4NO2S |
ae80 | 2f 63 31 31 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 | /c11-9(12)10(13,14)18-15-7(16)5- |
aea0 | 33 2d 31 2d 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 | 3-1-2-4-6(5)8(15)17/h1-2,5-6,9H, |
aec0 | 33 2d 34 48 32 00 00 6a 03 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 37 04 77 61 72 | 3-4H2..j...._id.V..4+r.5o..7.war |
aee0 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 56 01 00 00 04 4d 50 | nings.......fingerprints.V....MP |
af00 | 32 44 00 4b 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.K....0.....1;1-1-28;2-1-2;..1 |
af20 | 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; |
af40 | 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 |
af60 | 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 |
af80 | 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- |
afa0 | 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 |
afc0 | 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 |
afe0 | 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 |
b000 | 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.... |
b020 | 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; |
b040 | 32 2d 34 2d 33 3b 32 2d 31 2d 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 | 2-4-3;2-1-8;....dataset_ids..... |
b060 | 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 | .0.V..4+r.5o....1.V..:+r.5o....2 |
b080 | 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 | .V..;+r.5o....3.V..<+r.5o....4.V |
b0a0 | ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba 0c | ..=+r.5o....5.V..=+r.5o....6.V.. |
b0c0 | 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 38 00 56 ba 0c 40 2b | >+r.5o....7.V..?+r.5o....8.V..@+ |
b0e0 | 72 ed 35 6f 00 01 ce 07 39 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 31 30 00 56 ba 0c 41 2b 72 | r.5o....9.V..A+r.5o....10.V..A+r |
b100 | ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 | .5o....11.V..B+r.5o....12.V..C+r |
b120 | ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 | .5o.....features.:....56ba0c342b |
b140 | 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 e2 db c5 a1 c8 d8 b3 3f 01 31 | 72ed356f000000......0........?.1 |
b160 | 00 81 8e 2a 74 5e 15 d3 3f 00 00 02 73 6d 69 6c 65 73 00 17 00 00 00 43 4e 43 28 3d 4f 29 4f 63 | ...*t^..?...smiles.....CNC(=O)Oc |
b180 | 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 3b ea bf c6 52 01 | 1cccc2c1cccc2..updated_at.;...R. |
b1a0 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 92 ad bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at.....R....default_f |
b1c0 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0b 00 00 00 02 69 6e 63 68 69 00 51 00 00 00 49 | ingerprint_size......inchi.Q...I |
b1e0 | 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 |
b200 | 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 |
b220 | 48 2c 31 48 33 2c 28 48 2c 31 33 2c 31 34 29 00 00 d6 03 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 | H,1H3,(H,13,14)......._id.V..4+r |
b240 | ed 35 6f 00 00 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 69 6e | .5o..8.warnings.......fingerprin |
b260 | 74 73 00 df 01 00 00 04 4d 50 32 44 00 d4 01 00 00 02 30 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b | ts......MP2D......0.....9;1-1-2; |
b280 | 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 |
b2a0 | 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 |
b2c0 | 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; |
b2e0 | 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 |
b300 | 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; |
b320 | 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- |
b340 | 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- |
b360 | 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 |
b380 | 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... |
b3a0 | 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 |
b3c0 | 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; |
b3e0 | 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- |
b400 | 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 |
b420 | 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;. |
b440 | 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 | ...dataset_ids......0.V..4+r.5o. |
b460 | 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 | ...1.V..:+r.5o....2.V..;+r.5o... |
b480 | 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 | .3.V..<+r.5o....4.V..=+r.5o....5 |
b4a0 | 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 | .V..>+r.5o....6.V..?+r.5o....7.V |
b4c0 | ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 39 00 56 ba 0c | ..@+r.5o....8.V..A+r.5o....9.V.. |
b4e0 | 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 | B+r.5o....10.V..C+r.5o.....featu |
b500 | 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 | res./....56ba0c342b72ed356f00000 |
b520 | 30 00 10 00 00 00 01 30 00 cc 66 5b 25 c7 51 c0 3f 00 00 02 73 6d 69 6c 65 73 00 1b 00 00 00 4f | 0......0..f[%.Q.?...smiles.....O |
b540 | 3d 43 28 43 31 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 | =C(C1=C(C)OCCS1)Nc1ccccc1..updat |
b560 | 65 64 5f 61 74 00 0e ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 99 ad bf c6 52 01 | ed_at.....R....created_at.....R. |
b580 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0d 00 00 00 | ...default_fingerprint_size..... |
b5a0 | 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 33 4e 4f 32 53 2f 63 | .inchi.[...InChI=1S/C12H13NO2S/c |
b5c0 | 31 2d 39 2d 31 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 | 1-9-11(16-8-7-15-9)12(14)13-10-5 |
b5e0 | 2d 33 2d 32 2d 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 | -3-2-4-6-10/h2-6H,7-8H2,1H3,(H,1 |
b600 | 33 2c 31 34 29 00 00 00 04 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 39 04 77 61 72 | 3,14)......._id.V..4+r.5o..9.war |
b620 | 6e 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 01 00 00 04 4d 50 | nings.......fingerprints......MP |
b640 | 32 44 00 a5 01 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 | 2D......0.....15;1-1-1;2-2-1;..1 |
b660 | 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 31 2d 31 35 | .....1;1-2-1;1-1-15;2-2-1;2-1-15 |
b680 | 3b 00 02 32 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 | ;..2.....1;1-2-1;2-3-1;2-1-15;.. |
b6a0 | 33 00 1c 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 | 3.....1;1-3-1;2-4-1;2-1-2;2-1-15 |
b6c0 | 3b 00 02 34 00 1c 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 | ;..4.....1;1-3-1;2-4-1;2-1-2;2-2 |
b6e0 | 2d 31 35 3b 00 02 35 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 | -15;..5.....1;1-2-1;1-1-15;2-3-1 |
b700 | 3b 32 2d 31 2d 31 35 3b 00 02 36 00 29 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d | ;2-1-15;..6.)...1;1-2-1;1-1-2;1- |
b720 | 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 37 00 23 00 00 00 | 1-15;2-3-1;2-1-2;2-3-15;..7.#... |
b740 | 31 3b 31 2d 32 2d 31 3b 31 2d 32 2d 31 35 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 32 2d 32 2d 31 | 1;1-2-1;1-2-15;2-2-1;2-2-2;2-2-1 |
b760 | 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 31 2d 32 3b 00 | 5;..8.....15;1-1-1;2-2-1;2-1-2;. |
b780 | 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 3b 32 2d 33 2d | .9.#...2;1-1-1;1-1-2;1-1-15;2-3- |
b7a0 | 31 3b 32 2d 32 2d 31 35 3b 00 02 31 30 00 16 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 | 1;2-2-15;..10.....15;1-1-2;2-1-1 |
b7c0 | 3b 32 2d 31 2d 32 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 | ;2-1-2;..11.....15;1-1-1;2-2-1;2 |
b7e0 | 2d 31 2d 31 35 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 db 00 00 00 07 30 00 56 ba 0c | -1-15;....dataset_ids......0.V.. |
b800 | 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b | 4+r.5o....1.V..:+r.5o....2.V..:+ |
b820 | 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 34 00 56 ba 0c 3c 2b 72 ed | r.5o....3.V..;+r.5o....4.V..<+r. |
b840 | 35 6f 00 01 c6 07 35 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 36 00 56 ba 0c 3d 2b 72 ed 35 6f | 5o....5.V..<+r.5o....6.V..=+r.5o |
b860 | 00 01 c8 07 37 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 38 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 | ....7.V..>+r.5o....8.V..?+r.5o.. |
b880 | cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 31 30 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce | ..9.V..@+r.5o....10.V..@+r.5o... |
b8a0 | 07 31 31 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 32 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 | .11.V..A+r.5o....12.V..B+r.5o... |
b8c0 | 07 31 33 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 50 00 00 00 04 | .13.V..C+r.5o.....features.P.... |
b8e0 | 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 31 00 00 00 01 30 00 | 56ba0c342b72ed356f000000.1....0. |
b900 | 1b e9 42 7d 30 97 45 3f 01 31 00 f3 9e e8 99 c4 fd 53 3f 01 32 00 6d ee dc e6 a6 fc 8d 3f 01 33 | ..B}0.E?.1.......S?.2.m......?.3 |
b920 | 00 f3 9e e8 99 c4 fd 43 3f 00 00 02 73 6d 69 6c 65 73 00 2e 00 00 00 43 6c 43 31 43 43 32 43 28 | .......C?...smiles.....ClC1CC2C( |
b940 | 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 43 6c 29 43 | C1Cl)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)C |
b960 | 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 e1 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 | l)Cl..updated_at.....R....create |
b980 | 64 5f 61 74 00 a0 ad bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.....R....default_fingerprin |
b9a0 | 74 5f 73 69 7a 65 00 0c 00 00 00 02 69 6e 63 68 69 00 50 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.P...InChI=1S/C |
b9c0 | 31 30 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 | 10H6Cl8/c11-3-1-2-4(5(3)12)9(16) |
b9e0 | 37 28 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 | 7(14)6(13)8(2,15)10(9,17)18/h2-5 |
ba00 | 48 2c 31 48 32 00 00 36 02 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 3a 04 77 61 72 | H,1H2..6...._id.V..4+r.5o..:.war |
ba20 | 6e 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 00 00 00 04 4d 50 | nings.......fingerprints......MP |
ba40 | 32 44 00 76 00 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.v....0.....32;1-1-2;2-1-1;2-1 |
ba60 | 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 2d 31 2d 31 | -32;..1.....2;1-1-1;1-2-32;2-1-1 |
ba80 | 35 3b 00 02 32 00 17 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 | 5;..2.....1;1-1-2;1-1-15;2-2-32; |
baa0 | 00 02 33 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 04 64 61 74 61 73 | ..3.....15;1-1-1;2-1-2;....datas |
bac0 | 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c | et_ids......0.V..4+r.5o....1.V.. |
bae0 | 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b | :+r.5o....2.V..;+r.5o....3.V..<+ |
bb00 | 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed | r.5o....4.V..=+r.5o....5.V..>+r. |
bb20 | 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 37 00 56 ba 0c 40 2b 72 ed 35 6f | 5o....6.V..?+r.5o....7.V..@+r.5o |
bb40 | 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 | ....8.V..A+r.5o....9.V..B+r.5o.. |
bb60 | d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 | ..10.V..C+r.5o.....features./... |
bb80 | 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 | .56ba0c342b72ed356f000000......0 |
bba0 | 00 63 38 cc 11 6f 51 d4 3f 00 00 02 73 6d 69 6c 65 73 00 0a 00 00 00 4f 43 28 3d 4f 29 43 43 6c | .c8..oQ.?...smiles.....OC(=O)CCl |
bbc0 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 8d e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.....R....created_at |
bbe0 | 00 a6 ad bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | .....R....default_fingerprint_si |
bc00 | 7a 65 00 04 00 00 00 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 | ze......inchi.*...InChI=1S/C2H3C |
bc20 | 6c 4f 32 2f 63 33 2d 31 2d 32 28 34 29 35 2f 68 31 48 32 2c 28 48 2c 34 2c 35 29 00 00 9a 02 00 | lO2/c3-1-2(4)5/h1H2,(H,4,5)..... |
bc40 | 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 3b 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V..4+r.5o..;.warnings..... |
bc60 | 00 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 | ..fingerprints......MP2D......0. |
bc80 | 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 |
bca0 | 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; |
bcc0 | 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 33 3b 32 2d 32 | 2-2-3;2-1-19;..3.....3;1-2-3;2-2 |
bce0 | 2d 33 3b 32 2d 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 | -3;2-1-15;..4.....3;1-2-3;1-1-15 |
bd00 | 3b 32 2d 32 2d 33 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 00 | ;2-2-3;..5.....15;1-1-3;2-2-3;.. |
bd20 | 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 | ..dataset_ids......0.V..4+r.5o.. |
bd40 | 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 | ..1.V..:+r.5o....2.V..;+r.5o.... |
bd60 | 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 | 3.V..<+r.5o....4.V..=+r.5o....5. |
bd80 | 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba | V..>+r.5o....6.V..?+r.5o....7.V. |
bda0 | 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 39 00 56 ba 0c 41 | .@+r.5o....8.V..@+r.5o....9.V..A |
bdc0 | 2b 72 ed 35 6f 00 01 d0 07 31 30 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 31 00 56 ba 0c 43 | +r.5o....10.V..B+r.5o....11.V..C |
bde0 | 2b 72 ed 35 6f 00 01 d3 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 | +r.5o....12.V..C+r.5o.....featur |
be00 | 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 | es.:....56ba0c342b72ed356f000000 |
be20 | 00 1b 00 00 00 01 30 00 51 3d 62 99 a2 14 a8 3f 01 31 00 8a aa 1b b5 7e 15 b9 3f 00 00 02 73 6d | ......0.Q=b....?.1.....~..?...sm |
be40 | 69 6c 65 73 00 0e 00 00 00 4e 63 31 63 63 63 28 63 63 31 29 43 6c 00 09 75 70 64 61 74 65 64 5f | iles.....Nc1ccc(cc1)Cl..updated_ |
be60 | 61 74 00 ca e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ac ad bf c6 52 01 00 00 10 | at.....R....created_at.....R.... |
be80 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 06 00 00 00 02 69 6e | default_fingerprint_size......in |
bea0 | 63 68 69 00 2e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 36 43 6c 4e 2f 63 37 2d 35 2d 31 2d | chi.....InChI=1S/C6H6ClN/c7-5-1- |
bec0 | 33 2d 36 28 38 29 34 2d 32 2d 35 2f 68 31 2d 34 48 2c 38 48 32 00 00 a5 03 00 00 07 5f 69 64 00 | 3-6(8)4-2-5/h1-4H,8H2......._id. |
bee0 | 56 ba 0c 34 2b 72 ed 35 6f 00 00 3c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..4+r.5o..<.warnings.......fing |
bf00 | 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 15 00 00 00 31 3b | erprints......MP2D......0.....1; |
bf20 | 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 32 2d | 1-1-1;2-1-1;2-1-8;..1.....1;1-2- |
bf40 | 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- |
bf60 | 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 31 2d 31 2d 31 3b | 1-2;2-3-1;2-1-9;..3.'...2;1-1-1; |
bf80 | 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 31 2d 38 3b 00 02 | 1-1-8;1-1-9;2-1-1;2-2-3;2-1-8;.. |
bfa0 | 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 27 00 | 4.....9;1-1-2;2-1-1;2-1-8;..5.'. |
bfc0 | 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 33 3b 32 2d 31 2d | ..1;1-1-2;1-2-3;1-1-8;2-4-3;2-1- |
bfe0 | 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 32 2d 33 3b 32 2d | 8;2-1-9;..6.!...3;1-1-1;1-2-3;2- |
c000 | 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 31 2d 32 2d 33 3b | 1-2;2-3-3;2-1-8;..7.....3;1-2-3; |
c020 | 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 33 3b 32 2d 32 2d | 2-1-1;2-2-3;..8.....3;1-2-3;2-2- |
c040 | 33 3b 32 2d 31 2d 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 | 3;2-1-15;..9.....3;1-2-3;1-1-15; |
c060 | 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 02 | 2-2-3;..10.....15;1-1-3;2-2-3;.. |
c080 | 31 31 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 00 00 04 64 | 11.....8;1-1-1;2-1-2;2-2-3;....d |
c0a0 | 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 | ataset_ids......0.V..4+r.5o....1 |
c0c0 | 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 | .V..:+r.5o....2.V..;+r.5o....3.V |
c0e0 | ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c | ..<+r.5o....4.V..=+r.5o....5.V.. |
c100 | 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b | =+r.5o....6.V..?+r.5o....7.V..@+ |
c120 | 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed | r.5o....8.V..A+r.5o....9.V..B+r. |
c140 | 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 | 5o....10.V..C+r.5o.....features. |
c160 | 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 | /....56ba0c342b72ed356f000000... |
c180 | 00 00 01 30 00 54 1d b5 c7 33 2b 9b 3f 00 00 02 73 6d 69 6c 65 73 00 2a 00 00 00 43 43 28 4f 43 | ...0.T...3+.?...smiles.*...CC(OC |
c1a0 | 28 3d 4f 29 43 28 63 31 63 63 63 28 63 63 31 29 43 6c 29 28 63 31 63 63 63 28 63 63 31 29 43 6c | (=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl |
c1c0 | 29 4f 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 76 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 | )O)C..updated_at.v...R....create |
c1e0 | 64 5f 61 74 00 b3 ad bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.....R....default_fingerprin |
c200 | 74 5f 73 69 7a 65 00 0c 00 00 00 02 69 6e 63 68 69 00 65 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.e...InChI=1S/C |
c220 | 31 37 48 31 36 43 6c 32 4f 33 2f 63 31 2d 31 31 28 32 29 32 32 2d 31 36 28 32 30 29 31 37 28 32 | 17H16Cl2O3/c1-11(2)22-16(20)17(2 |
c240 | 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 35 28 | 1,12-3-7-14(18)8-4-12)13-5-9-15( |
c260 | 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 f8 04 00 00 | 19)10-6-13/h3-11,21H,1-2H3...... |
c280 | 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 3d 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V..4+r.5o..=.warnings...... |
c2a0 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 d2 02 00 00 04 4d 50 32 44 00 c7 02 00 00 02 30 00 0f | .fingerprints......MP2D......0.. |
c2c0 | 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 16 00 00 00 38 3b 31 2d 31 2d 31 | ...1;1-1-8;2-1-3;..1.....8;1-1-1 |
c2e0 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 32 00 1c 00 00 00 33 3b 31 2d 31 2d 38 3b 31 2d | ;1-1-3;2-2-11;..2.....3;1-1-8;1- |
c300 | 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 1e 00 00 00 31 31 3b 31 2d 32 2d | 2-11;2-1-1;2-2-3;..3.....11;1-2- |
c320 | 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 34 00 1d 00 00 00 33 3b | 3;2-1-8;2-2-11;2-1-28;..4.....3; |
c340 | 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 00 02 35 00 1e 00 | 1-2-11;1-1-28;2-1-2;2-2-3;..5... |
c360 | 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 00 | ..11;1-2-3;2-1-1;2-2-11;2-1-28;. |
c380 | 02 36 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 37 00 | .6.....3;1-1-1;1-2-11;2-2-3;..7. |
c3a0 | 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 32 2d 32 2d 31 31 3b | ....11;1-2-3;2-1-1;2-1-8;2-2-11; |
c3c0 | 00 02 38 00 10 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 39 00 24 00 00 00 32 | ..8.....1;1-1-3;2-2-11;..9.$...2 |
c3e0 | 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 32 2d 31 2d 32 | 8;1-1-2;1-1-3;2-1-9;2-2-11;2-1-2 |
c400 | 38 3b 00 02 31 30 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 | 8;..10.....2;1-1-9;1-2-28;2-1-3; |
c420 | 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 32 38 3b 00 | 2-1-30;..11.....9;1-1-2;2-2-28;. |
c440 | 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 33 3b 32 2d | .12.$...28;1-1-2;1-1-30;2-1-3;2- |
c460 | 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 3b 31 2d 32 | 3-9;2-1-28;..13.#...30;1-1-3;1-2 |
c480 | 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 00 00 00 39 | -9;1-1-28;2-1-2;2-2-3;..14.....9 |
c4a0 | 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 31 35 00 | ;1-1-30;2-1-3;2-1-9;2-1-28;..15. |
c4c0 | 2a 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 32 2d 39 3b 32 | *...3;1-2-3;1-1-30;2-2-3;2-2-9;2 |
c4e0 | 2d 31 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 02 31 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | -1-15;2-1-28;..16.....3;1-2-3;2- |
c500 | 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 2-3;2-1-30;..17.....3;1-2-3;2-2- |
c520 | 33 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 | 3;..18.....3;1-2-3;2-2-3;2-1-15; |
c540 | 00 02 31 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 | ..19.....3;1-2-3;1-1-15;2-2-3;2- |
c560 | 31 2d 33 30 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 00 00 00 | 1-30;..20.....15;1-1-3;2-2-3;... |
c580 | 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 | .dataset_ids......0.V..4+r.5o... |
c5a0 | 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 | .1.V..:+r.5o....2.V..;+r.5o....3 |
c5c0 | 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 | .V..<+r.5o....4.V..<+r.5o....5.V |
c5e0 | ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c | ..>+r.5o....6.V..?+r.5o....7.V.. |
c600 | 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b | @+r.5o....8.V..A+r.5o....9.V..B+ |
c620 | 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 | r.5o....10.V..C+r.5o.....feature |
c640 | 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 | s./....56ba0c342b72ed356f000000. |
c660 | 10 00 00 00 01 30 00 e4 22 bf 5e 71 e3 b1 3f 00 00 02 73 6d 69 6c 65 73 00 2a 00 00 00 43 4f 63 | .....0..".^q..?...smiles.*...COc |
c680 | 31 6e 63 28 6e 63 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 | 1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1cc |
c6a0 | 63 63 63 31 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 10 e9 bf c6 52 01 00 00 09 63 72 65 61 | ccc1Cl..updated_at.....R....crea |
c6c0 | 74 65 64 5f 61 74 00 ba ad bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at.....R....default_fingerpr |
c6e0 | 69 6e 74 5f 73 69 7a 65 00 15 00 00 00 02 69 6e 63 68 69 00 7b 00 00 00 49 6e 43 68 49 3d 31 53 | int_size......inchi.{...InChI=1S |
c700 | 2f 43 31 32 48 31 32 43 6c 4e 35 4f 34 53 2f 63 31 2d 37 2d 31 34 2d 31 30 28 31 37 2d 31 32 28 | /C12H12ClN5O4S/c1-7-14-10(17-12( |
c720 | 31 35 2d 37 29 32 32 2d 32 29 31 36 2d 31 31 28 31 39 29 31 38 2d 32 33 28 32 30 2c 32 31 29 39 | 15-7)22-2)16-11(19)18-23(20,21)9 |
c740 | 2d 36 2d 34 2d 33 2d 35 2d 38 28 39 29 31 33 2f 68 33 2d 36 48 2c 31 2d 32 48 33 2c 28 48 32 2c | -6-4-3-5-8(9)13/h3-6H,1-2H3,(H2, |
c760 | 31 34 2c 31 35 2c 31 36 2c 31 37 2c 31 38 2c 31 39 29 00 00 3d 05 00 00 07 5f 69 64 00 56 ba 0c | 14,15,16,17,18,19)..=...._id.V.. |
c780 | 34 2b 72 ed 35 6f 00 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 | 4+r.5o..>.warnings.......fingerp |
c7a0 | 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 38 3b 31 2d 31 | rints......MP2D......0.....8;1-1 |
c7c0 | 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 38 3b 32 | -1;2-1-3;..1.....1;1-1-3;1-1-8;2 |
c7e0 | 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 32 2d 33 | -2-3;..2.....3;1-1-1;1-2-3;2-2-3 |
c800 | 3b 32 2d 32 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 | ;2-2-8;..3.....3;1-2-3;2-1-1;2-2 |
c820 | 2d 33 3b 32 2d 31 2d 36 3b 00 02 34 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 36 3b 32 | -3;2-1-6;..4.!...3;1-2-3;1-1-6;2 |
c840 | 2d 32 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 38 3b 00 02 35 00 15 00 00 00 36 3b 31 2d 31 2d 33 | -2-3;2-1-6;2-1-8;..5.....6;1-1-3 |
c860 | 3b 31 2d 31 2d 36 3b 32 2d 33 2d 33 3b 00 02 36 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | ;1-1-6;2-3-3;..6.....3;1-2-3;1-1 |
c880 | 2d 36 3b 32 2d 33 2d 33 3b 32 2d 31 2d 36 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | -6;2-3-3;2-1-6;..7.....3;1-2-3;2 |
c8a0 | 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -2-3;2-1-6;..8.....3;1-2-3;2-2-3 |
c8c0 | 3b 32 2d 31 2d 31 30 3b 00 02 39 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 | ;2-1-10;..9."...3;1-2-3;1-1-10;2 |
c8e0 | 2d 33 2d 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 33 2d | -3-3;2-1-8;2-2-9;..10.....3;1-3- |
c900 | 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b | 3;2-4-3;2-1-10;..11.....3;1-3-3; |
c920 | 32 2d 34 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 33 | 2-4-3;2-1-6;..12.....3;1-2-3;2-3 |
c940 | 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 1c | -3;..13.....3;1-2-3;2-2-3;..14.. |
c960 | 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;.. |
c980 | 31 35 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 | 15.....9;1-1-10;2-1-3;2-1-8;2-1- |
c9a0 | 39 3b 00 02 31 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 | 9;..16.....8;1-1-10;2-1-3;2-2-9; |
c9c0 | 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 2d 33 3b 32 2d 32 | ..17.....3;1-2-3;1-1-8;2-2-3;2-2 |
c9e0 | 2d 36 3b 00 02 31 38 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 | -6;..18.!...3;1-2-3;1-1-6;2-2-3; |
ca00 | 32 2d 31 2d 36 3b 32 2d 32 2d 38 3b 00 02 31 39 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | 2-1-6;2-2-8;..19.!...3;1-2-3;1-1 |
ca20 | 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 32 30 00 0f 00 00 00 38 3b | -8;2-1-1;2-2-3;2-1-6;..20.....8; |
ca40 | 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 | 1-1-3;2-2-3;....dataset_ids..... |
ca60 | 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 | .0.V..4+r.5o....1.V..:+r.5o....2 |
ca80 | 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 | .V..;+r.5o....3.V..<+r.5o....4.V |
caa0 | ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c | ..=+r.5o....5.V..>+r.5o....6.V.. |
cac0 | 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b | ?+r.5o....7.V..@+r.5o....8.V..A+ |
cae0 | 72 ed 35 6f 00 01 cf 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 | r.5o....9.V..B+r.5o....10.V..C+r |
cb00 | ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 | .5o.....features./....56ba0c342b |
cb20 | 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 1b 6d 3b 53 6f 59 f3 3f 00 00 | 72ed356f000000......0..m;SoY.?.. |
cb40 | 02 73 6d 69 6c 65 73 00 4d 00 00 00 4f 43 63 31 63 63 28 4e 3d 4e 63 32 63 63 63 28 63 33 63 32 | .smiles.M...OCc1cc(N=Nc2ccc(c3c2 |
cb60 | 63 63 63 63 33 29 53 28 3d 4f 29 28 3d 4f 29 4f 29 63 28 63 28 63 31 4f 29 4e 3d 4e 63 31 63 63 | cccc3)S(=O)(=O)O)c(c(c1O)N=Nc1cc |
cb80 | 63 28 63 32 63 31 63 63 63 63 32 29 53 28 3d 4f 29 28 3d 4f 29 4f 29 4f 00 09 75 70 64 61 74 65 | c(c2c1cccc2)S(=O)(=O)O)O..update |
cba0 | 64 5f 61 74 00 21 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c2 ad bf c6 52 01 00 | d_at.!...R....created_at.....R.. |
cbc0 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 15 00 00 00 02 | ..default_fingerprint_size...... |
cbe0 | 69 6e 63 68 69 00 c6 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 37 48 32 30 4e 34 4f 39 53 32 2f | inchi.....InChI=1S/C27H20N4O9S2/ |
cc00 | 63 33 32 2d 31 34 2d 31 35 2d 31 33 2d 32 32 28 33 30 2d 32 38 2d 32 30 2d 39 2d 31 31 2d 32 33 | c32-14-15-13-22(30-28-20-9-11-23 |
cc20 | 28 34 31 28 33 35 2c 33 36 29 33 37 29 31 38 2d 37 2d 33 2d 31 2d 35 2d 31 36 28 31 38 29 32 30 | (41(35,36)37)18-7-3-1-5-16(18)20 |
cc40 | 29 32 37 28 33 34 29 32 35 28 32 36 28 31 35 29 33 33 29 33 31 2d 32 39 2d 32 31 2d 31 30 2d 31 | )27(34)25(26(15)33)31-29-21-10-1 |
cc60 | 32 2d 32 34 28 34 32 28 33 38 2c 33 39 29 34 30 29 31 39 2d 38 2d 34 2d 32 2d 36 2d 31 37 28 31 | 2-24(42(38,39)40)19-8-4-2-6-17(1 |
cc80 | 39 29 32 31 2f 68 31 2d 31 33 2c 33 32 2d 33 34 48 2c 31 34 48 32 2c 28 48 2c 33 35 2c 33 36 2c | 9)21/h1-13,32-34H,14H2,(H,35,36, |
cca0 | 33 37 29 28 48 2c 33 38 2c 33 39 2c 34 30 29 00 00 81 04 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 | 37)(H,38,39,40)......._id.V..4+r |
ccc0 | ed 35 6f 00 00 3f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .5o..?.warnings.......fingerprin |
cce0 | 74 73 00 65 02 00 00 04 4d 50 32 44 00 5a 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b | ts.e....MP2D.Z....0.....1;1-1-1; |
cd00 | 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 31 2d | 2-1-8;..1.....1;1-1-1;1-1-8;2-1- |
cd20 | 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 2d 31 3b | 12;..2.#...8;1-1-1;1-1-12;2-1-1; |
cd40 | 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 3b 31 2d | 2-2-8;2-1-18;..3.....12;1-3-8;1- |
cd60 | 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 2d 31 2d | 1-18;2-2-1;2-1-3;..4.....18;1-1- |
cd80 | 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 31 32 3b | 12;2-3-8;..5.#...8;1-1-3;1-1-12; |
cda0 | 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 31 2d 32 | 2-2-3;2-2-8;2-1-18;..6.....3;1-2 |
cdc0 | 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 00 33 3b | -3;1-1-8;2-2-3;2-1-12;..7.....3; |
cde0 | 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 32 2d | 1-2-3;2-2-3;2-1-8;..8.....3;1-2- |
ce00 | 33 3b 32 2d 33 2d 33 3b 00 02 39 00 1b 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 31 2d 31 3b 32 2d | 3;2-3-3;..9.....3;1-3-3;2-1-1;2- |
ce20 | 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 31 2d 31 2d 39 | 3-3;2-1-9;..10.....3;1-2-3;1-1-9 |
ce40 | 3b 32 2d 34 2d 33 3b 00 02 31 31 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | ;2-4-3;..11.....3;1-2-3;2-2-3;2- |
ce60 | 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 32 00 15 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 | 1-8;2-1-9;..12.....9;1-2-3;2-3-3 |
ce80 | 3b 32 2d 31 2d 39 3b 00 02 31 33 00 1c 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d | ;2-1-9;..13.....3;1-1-3;1-2-9;2- |
cea0 | 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 34 00 15 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 31 2d | 2-3;2-1-15;..14.....9;1-1-3;2-1- |
cec0 | 33 3b 32 2d 31 2d 39 3b 00 02 31 35 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b | 3;2-1-9;..15."...3;1-2-3;1-1-15; |
cee0 | 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 36 00 1c 00 00 00 33 3b 31 2d 31 | 2-1-1;2-1-3;2-2-9;..16.....3;1-1 |
cf00 | 2d 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 37 00 0f 00 00 00 31 | -1;1-2-3;2-3-3;2-1-15;..17.....1 |
cf20 | 3b 31 2d 31 2d 33 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 | ;1-1-3;2-2-3;..18.....15;1-1-3;2 |
cf40 | 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 | -2-3;....dataset_ids......0.V..4 |
cf60 | 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 | +r.5o....1.V..:+r.5o....2.V..;+r |
cf80 | ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3d 2b 72 ed 35 | .5o....3.V..;+r.5o....4.V..=+r.5 |
cfa0 | 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 | o....5.V..>+r.5o....6.V..?+r.5o. |
cfc0 | 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 | ...7.V..@+r.5o....8.V..A+r.5o... |
cfe0 | 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 | .9.V..B+r.5o....10.V..C+r.5o.... |
d000 | 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 | .features.:....56ba0c342b72ed356 |
d020 | 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 af 62 7f 18 cf 10 62 3f 01 31 00 da 58 07 0a dc 31 | f000000......0..b....b?.1..X...1 |
d040 | 73 3f 00 00 02 73 6d 69 6c 65 73 00 28 00 00 00 43 43 4f 50 28 3d 53 29 28 4f 63 31 63 63 63 32 | s?...smiles.(...CCOP(=S)(Oc1ccc2 |
d060 | 63 28 63 31 29 6f 63 28 3d 4f 29 63 28 63 32 43 29 43 6c 29 4f 43 43 00 09 75 70 64 61 74 65 64 | c(c1)oc(=O)c(c2C)Cl)OCC..updated |
d080 | 5f 61 74 00 f9 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c9 ad bf c6 52 01 00 00 | _at.....R....created_at.....R... |
d0a0 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 13 00 00 00 02 69 | .default_fingerprint_size......i |
d0c0 | 6e 63 68 69 00 68 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 36 43 6c 4f 35 50 53 2f 63 | nchi.h...InChI=1S/C14H16ClO5PS/c |
d0e0 | 31 2d 34 2d 31 37 2d 32 31 28 32 32 2c 31 38 2d 35 2d 32 29 32 30 2d 31 30 2d 36 2d 37 2d 31 31 | 1-4-17-21(22,18-5-2)20-10-6-7-11 |
d100 | 2d 39 28 33 29 31 33 28 31 35 29 31 34 28 31 36 29 31 39 2d 31 32 28 31 31 29 38 2d 31 30 2f 68 | -9(3)13(15)14(16)19-12(11)8-10/h |
d120 | 36 2d 38 48 2c 34 2d 35 48 32 2c 31 2d 33 48 33 00 00 1c 04 00 00 07 5f 69 64 00 56 ba 0c 34 2b | 6-8H,4-5H2,1-3H3......._id.V..4+ |
d140 | 72 ed 35 6f 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 | r.5o..@.warnings.......fingerpri |
d160 | 6e 74 73 00 1e 02 00 00 04 4d 50 32 44 00 13 02 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 35 | nts......MP2D......0.....1;1-1-5 |
d180 | 3b 32 2d 31 2d 31 32 3b 00 02 31 00 1c 00 00 00 35 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 | ;2-1-12;..1.....5;1-1-1;1-1-12;2 |
d1a0 | 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 00 22 00 00 00 31 32 3b 31 2d 31 2d 35 3b 31 2d 32 2d | -2-8;2-1-9;..2."...12;1-1-5;1-2- |
d1c0 | 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 00 16 00 00 00 39 3b 31 2d | 8;1-1-9;2-2-1;2-1-3;..3.....9;1- |
d1e0 | 31 2d 31 32 3b 32 2d 31 2d 35 3b 32 2d 32 2d 38 3b 00 02 34 00 28 00 00 00 38 3b 31 2d 31 2d 33 | 1-12;2-1-5;2-2-8;..4.(...8;1-1-3 |
d200 | 3b 31 2d 31 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 | ;1-1-12;2-2-3;2-1-5;2-1-8;2-1-9; |
d220 | 00 02 35 00 23 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 | ..5.#...3;1-2-3;1-1-8;2-2-3;2-1- |
d240 | 31 32 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 | 12;2-1-15;..6.....3;1-2-3;2-2-3; |
d260 | 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 32 2d 32 2d | 2-1-8;..7.....3;1-2-3;2-1-1;2-2- |
d280 | 33 3b 00 02 38 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 | 3;..8.....3;1-1-1;1-2-3;2-3-1;2- |
d2a0 | 32 2d 33 3b 00 02 39 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 | 2-3;..9.....3;1-2-3;2-1-1;2-2-3; |
d2c0 | 32 2d 31 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 35 3b 32 | 2-1-15;..10.....3;1-2-3;1-1-15;2 |
d2e0 | 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 2d 33 3b 32 2d 32 | -2-3;2-1-8;..11.....15;1-1-3;2-2 |
d300 | 2d 33 3b 00 02 31 32 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b | -3;..12.....1;1-3-1;1-1-3;2-2-3; |
d320 | 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 31 | ..13.....1;1-1-1;2-2-1;2-1-3;..1 |
d340 | 34 00 22 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 38 | 4."...8;1-1-1;1-1-12;2-1-5;2-1-8 |
d360 | 3b 32 2d 31 2d 39 3b 00 02 31 35 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 | ;2-1-9;..15.....1;1-1-8;2-1-12;. |
d380 | 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 | ...dataset_ids......0.V..4+r.5o. |
d3a0 | 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 | ...1.V..:+r.5o....2.V..;+r.5o... |
d3c0 | 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 | .3.V..<+r.5o....4.V..=+r.5o....5 |
d3e0 | 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 | .V..>+r.5o....6.V..?+r.5o....7.V |
d400 | ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c | ..@+r.5o....8.V..A+r.5o....9.V.. |
d420 | 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 00 03 66 65 61 74 75 | B+r.5o....10.V..C+r.5o.....featu |
d440 | 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 | res./....56ba0c342b72ed356f00000 |
d460 | 30 00 10 00 00 00 01 30 00 3c 15 d0 07 25 15 8c 3f 00 00 02 73 6d 69 6c 65 73 00 21 00 00 00 43 | 0......0.<...%..?...smiles.!...C |
d480 | 4e 50 28 3d 4f 29 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 | NP(=O)(Oc1ccc(cc1Cl)C(C)(C)C)OC. |
d4a0 | 09 75 70 64 61 74 65 64 5f 61 74 00 86 e6 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at.....R....created_at. |
d4c0 | d0 ad bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | ....R....default_fingerprint_siz |
d4e0 | 65 00 10 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 32 48 31 39 | e......inchi.\...InChI=1S/C12H19 |
d500 | 43 6c 4e 4f 33 50 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 | ClNO3P/c1-12(2,3)9-6-7-11(10(13) |
d520 | 38 2d 39 29 31 37 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 | 8-9)17-18(15,14-4)16-5/h6-8H,1-5 |
d540 | 48 33 2c 28 48 2c 31 34 2c 31 35 29 00 00 1d 04 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f | H3,(H,14,15)......._id.V..4+r.5o |
d560 | 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 00 | ..A.warnings.......fingerprints. |
d580 | 02 01 00 00 04 4d 50 32 44 00 f7 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 |
d5a0 | 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 32 | -1;..1.....1;1-1-1;1-1-8;2-1-1;2 |
d5c0 | 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 32 2d 31 | -1-8;..2.....1;1-2-1;1-1-8;2-2-1 |
d5e0 | 3b 32 2d 32 2d 38 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 | ;2-2-8;..3.....8;1-2-1;2-3-1;2-1 |
d600 | 2d 38 3b 00 02 34 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;..4.....1;1-1-1;1-2-8;2-3-1;2 |
d620 | 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 33 2d 31 | -1-8;..5.....1;1-2-1;1-1-8;2-3-1 |
d640 | 3b 32 2d 32 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 31 | ;2-2-8;..6.....1;1-2-1;1-1-8;2-1 |
d660 | 2d 31 3b 32 2d 33 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 | -1;2-3-8;..7.....8;1-1-1;2-2-1;. |
d680 | 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 | ...dataset_ids......0.V..4+r.5o. |
d6a0 | 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 | ...1.V..9+r.5o....2.V..;+r.5o... |
d6c0 | 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 | .3.V..<+r.5o....4.V..=+r.5o....5 |
d6e0 | 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 | .V..>+r.5o....6.V..?+r.5o....7.V |
d700 | ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c | ..@+r.5o....8.V..A+r.5o....9.V.. |
d720 | 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 | B+r.5o....10.V..C+r.5o.....featu |
d740 | 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 | res./....56ba0c342b72ed356f00000 |
d760 | 30 00 10 00 00 00 01 30 00 13 ae 54 63 2d 8e f6 3f 00 00 02 73 6d 69 6c 65 73 00 84 00 00 00 4f | 0......0...Tc-..?...smiles.....O |
d780 | 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 43 28 43 4f | CC1OC2OC3C(CO)OC(C(C3O)O)OC3C(CO |
d7a0 | 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 29 4f 29 4f | )OC(C(C3O)O)OC3C(CO)OC(C(C3O)O)O |
d7c0 | 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 43 32 4f 29 | C3C(OC(OC4C(OC(OC5C(OC(OC1C(C2O) |
d7e0 | 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 43 33 4f 29 | O)C(O)C5O)CO)C(O)C4O)CO)C(O)C3O) |
d800 | 43 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 45 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f | CO..updated_at.E...R....created_ |
d820 | 61 74 00 df ad bf c6 52 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.....R....default_fingerprint_ |
d840 | 73 69 7a 65 00 08 00 00 00 02 69 6e 63 68 69 00 16 01 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 32 | size......inchi.....InChI=1S/C42 |
d860 | 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 37 29 33 36 | H70O35/c43-1-8-29-15(50)22(57)36 |
d880 | 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 35 39 29 31 | (64-8)72-30-9(2-44)66-38(24(59)1 |
d8a0 | 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 32 36 28 36 | 7(30)52)74-32-11(4-46)68-40(26(6 |
d8c0 | 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 34 32 28 32 | 1)19(32)54)76-34-13(6-48)70-42(2 |
d8e0 | 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 36 39 2d 34 | 8(63)21(34)56)77-35-14(7-49)69-4 |
d900 | 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 34 37 29 36 | 1(27(62)20(35)55)75-33-12(5-47)6 |
d920 | 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 28 33 2d 34 | 7-39(25(60)18(33)53)73-31-10(3-4 |
d940 | 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 2f 68 38 2d | 5)65-37(71-29)23(58)16(31)51/h8- |
d960 | 36 33 48 2c 31 2d 37 48 32 00 00 d2 02 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 42 | 63H,1-7H2......._id.V..4+r.5o..B |
d980 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ed 00 00 | .warnings.......fingerprints.... |
d9a0 | 00 04 4d 50 32 44 00 e2 00 00 00 02 30 00 11 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 | ..MP2D......0.....19;1-1-3;2-2-1 |
d9c0 | 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 32 2d 33 3b | 1;..1.....3;1-2-11;1-1-19;2-2-3; |
d9e0 | 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 31 39 3b 00 | ..2.....11;1-2-3;2-2-11;2-2-19;. |
da00 | 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 3b 32 2d 32 | .3.....3;1-2-11;1-1-19;2-1-1;2-2 |
da20 | 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 32 2d 31 3b | -3;..4.....19;1-1-1;1-1-3;2-2-1; |
da40 | 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 39 3b 32 2d | 2-2-11;..5.....1;1-2-1;1-1-19;2- |
da60 | 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 32 2d 31 3b | 2-1;2-1-3;..6.....1;1-2-1;2-2-1; |
da80 | 32 2d 31 2d 31 39 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba | 2-1-19;....dataset_ids......0.V. |
daa0 | 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b | .4+r.5o....1.V..:+r.5o....2.V..; |
dac0 | 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 | +r.5o....3.V..<+r.5o....4.V..=+r |
dae0 | ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 | .5o....5.V..>+r.5o....6.V..?+r.5 |
db00 | 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 | o....7.V..@+r.5o....8.V..A+r.5o. |
db20 | 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 | ...9.V..B+r.5o....10.V..C+r.5o.. |
db40 | d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 | ...features./....56ba0c342b72ed3 |
db60 | 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 92 49 c9 c6 60 1b b7 3f 00 00 02 73 6d 69 6c | 56f000000......0..I..`..?...smil |
db80 | 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 4e 00 09 75 70 64 | es.....Nc1nc(NC2CC2)nc(n1)N..upd |
dba0 | 61 74 65 64 5f 61 74 00 f7 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e6 ad bf c6 | ated_at.....R....created_at..... |
dbc0 | 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 07 00 | R....default_fingerprint_size... |
dbe0 | 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 30 4e 36 2f 63 37 | ...inchi.O...InChI=1S/C6H10N6/c7 |
dc00 | 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 32 2d 33 2f 68 33 | -4-10-5(8)12-6(11-4)9-3-1-2-3/h3 |
dc20 | 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 29 00 00 1a 03 00 | H,1-2H2,(H5,7,8,9,10,11,12)..... |
dc40 | 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 43 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V..4+r.5o..C.warnings..... |
dc60 | 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 f1 00 00 00 02 30 00 | ..fingerprints......MP2D......0. |
dc80 | 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 2d | ....1;1-1-8;2-1-2;..1.....8;1-1- |
dca0 | 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 2d | 1;1-1-2;2-1-3;2-1-9;..2.!...2;1- |
dcc0 | 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 00 | 1-3;1-1-8;1-1-9;2-1-1;2-2-3;..3. |
dce0 | 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 00 | ....9;1-1-2;2-1-3;2-1-8;..4.(... |
dd00 | 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 3b | 3;1-1-2;1-2-3;2-2-3;2-1-8;2-1-9; |
dd20 | 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 2d 31 35 3b 32 2d | 2-2-15;..5.#...3;1-2-3;1-1-15;2- |
dd40 | 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 35 3b 31 2d 31 2d | 1-2;2-2-3;2-1-15;..6.....15;1-1- |
dd60 | 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 | 3;2-2-3;....dataset_ids......0.V |
dd80 | ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c | ..4+r.5o....1.V..:+r.5o....2.V.. |
dda0 | 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b | ;+r.5o....3.V..<+r.5o....4.V..<+ |
ddc0 | 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3e 2b 72 ed | r.5o....5.V..=+r.5o....6.V..>+r. |
dde0 | 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 38 00 56 ba 0c 40 2b 72 ed 35 6f | 5o....7.V..?+r.5o....8.V..@+r.5o |
de00 | 00 01 ce 07 39 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 31 30 00 56 ba 0c 41 2b 72 ed 35 6f 00 | ....9.V..A+r.5o....10.V..A+r.5o. |
de20 | 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 | ...11.V..B+r.5o....12.V..C+r.5o. |
de40 | 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 | ....features.:....56ba0c342b72ed |
de60 | 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 9f c9 0a d6 56 19 f8 3f 01 31 00 fe 53 f9 | 356f000000......0.....V..?.1..S. |
de80 | 11 c1 d8 9e 3f 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 | ....?...smiles.'...COC(=O)c1c(Cl |
dea0 | 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 |
dec0 | 65 64 5f 61 74 00 1b ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ec ad bf c6 52 01 | ed_at.....R....created_at.....R. |
dee0 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 07 00 00 00 | ...default_fingerprint_size..... |
df00 | 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 |
df20 | 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 |
df40 | 2d 32 29 38 28 31 34 29 36 28 33 29 31 32 2f 68 31 2d 32 48 33 00 00 a3 02 00 00 07 5f 69 64 00 | -2)8(14)6(3)12/h1-2H3......._id. |
df60 | 56 ba 0c 34 2b 72 ed 35 6f 00 00 44 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..4+r.5o..D.warnings.......fing |
df80 | 65 72 70 72 69 6e 74 73 00 b7 00 00 00 04 4d 50 32 44 00 ac 00 00 00 02 30 00 17 00 00 00 33 32 | erprints......MP2D......0.....32 |
dfa0 | 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- |
dfc0 | 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 1d 00 00 00 | 1-1;1-2-32;2-1-1;2-2-15;..2..... |
dfe0 | 31 3b 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 33 00 | 1;1-1-1;1-1-2;1-2-15;2-2-32;..3. |
e000 | 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 35 3b | ....15;1-1-1;2-1-1;2-1-2;2-1-15; |
e020 | 00 02 34 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 00 00 | ..4.....1;1-1-1;2-1-2;2-2-15;... |
e040 | 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 | .dataset_ids......0.V..4+r.5o... |
e060 | 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 33 | .1.V..9+r.5o....2.V..:+r.5o....3 |
e080 | 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 | .V..;+r.5o....4.V..<+r.5o....5.V |
e0a0 | ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c | ..=+r.5o....6.V..>+r.5o....7.V.. |
e0c0 | 3f 2b 72 ed 35 6f 00 01 cc 07 38 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 39 00 56 ba 0c 41 2b | ?+r.5o....8.V..@+r.5o....9.V..A+ |
e0e0 | 72 ed 35 6f 00 01 d0 07 31 30 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 31 00 56 ba 0c 42 2b | r.5o....10.V..B+r.5o....11.V..B+ |
e100 | 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 | r.5o....12.V..C+r.5o.....feature |
e120 | 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 | s.:....56ba0c342b72ed356f000000. |
e140 | 1b 00 00 00 01 30 00 b2 40 40 5b 7b 38 c9 3f 01 31 00 f7 28 b5 56 ed 61 d6 3f 00 00 02 73 6d 69 | .....0..@@[{8.?.1..(.V.a.?...smi |
e160 | 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 75 70 64 61 74 65 | les.....OC(=O)C(Cl)(Cl)C..update |
e180 | 64 5f 61 74 00 4c ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f2 ad bf c6 52 01 00 | d_at.L...R....created_at.....R.. |
e1a0 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 05 00 00 00 02 | ..default_fingerprint_size...... |
e1c0 | 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 4f 32 2f 63 31 2d | inchi./...InChI=1S/C3H4Cl2O2/c1- |
e1e0 | 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 bb 02 00 00 07 5f | 3(4,5)2(6)7/h1H3,(H,6,7)......._ |
e200 | 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 45 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..4+r.5o..E.warnings.......f |
e220 | 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 00 10 00 00 | ingerprints......MP2D......0.... |
e240 | 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; |
e260 | 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 |
e280 | 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 33 3b | -3;2-1-19;..3.....3;1-2-3;2-2-3; |
e2a0 | 32 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 | 2-1-8;..4.....3;1-2-3;1-1-8;2-2- |
e2c0 | 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 31 2d 31 39 3b | 3;2-1-19;..5.....3;1-2-3;1-1-19; |
e2e0 | 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 33 3b 32 2d 32 2d | 2-2-3;2-1-8;..6.....3;1-2-3;2-2- |
e300 | 33 3b 32 2d 32 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 | 3;2-2-19;..7.....8;1-1-3;2-2-3;. |
e320 | 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 | ...dataset_ids......0.V..4+r.5o. |
e340 | 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 | ...1.V..:+r.5o....2.V..;+r.5o... |
e360 | 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 | .3.V..<+r.5o....4.V..=+r.5o....5 |
e380 | 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 | .V..>+r.5o....6.V..?+r.5o....7.V |
e3a0 | ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c | ..@+r.5o....8.V..A+r.5o....9.V.. |
e3c0 | 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 00 03 66 65 61 74 75 | B+r.5o....10.V..C+r.5o.....featu |
e3e0 | 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 | res./....56ba0c342b72ed356f00000 |
e400 | 30 00 10 00 00 00 01 30 00 9d 6d 5e 36 f9 c6 c9 3f 00 00 02 73 6d 69 6c 65 73 00 10 00 00 00 4e | 0......0..m^6...?...smiles.....N |
e420 | 63 31 63 63 63 28 63 28 63 31 29 4e 29 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 6f e6 bf c6 52 | c1ccc(c(c1)N)O..updated_at.o...R |
e440 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f8 ad bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.....R....default_ |
e460 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 08 00 00 00 02 69 6e 63 68 69 00 34 00 00 00 | fingerprint_size......inchi.4... |
e480 | 49 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 | InChI=1S/C6H8N2O/c7-4-1-2-6(9)5( |
e4a0 | 38 29 33 2d 34 2f 68 31 2d 33 2c 39 48 2c 37 2d 38 48 32 00 00 0e 02 00 00 07 5f 69 64 00 56 ba | 8)3-4/h1-3,9H,7-8H2......._id.V. |
e4c0 | 0c 34 2b 72 ed 35 6f 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 | .4+r.5o..F.warnings.......finger |
e4e0 | 70 72 69 6e 74 73 00 66 00 00 00 04 4d 50 32 44 00 5b 00 00 00 02 30 00 18 00 00 00 31 36 3b 31 | prints.f....MP2D.[....0.....16;1 |
e500 | 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b 32 2d 31 2d 31 36 3b 00 02 31 00 11 00 00 00 31 3b 31 2d 32 | -1-1;2-2-15;2-1-16;..1.....1;1-2 |
e520 | 2d 31 35 3b 31 2d 32 2d 31 36 3b 00 02 32 00 18 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d | -15;1-2-16;..2.....15;1-1-1;2-1- |
e540 | 31 35 3b 32 2d 32 2d 31 36 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 | 15;2-2-16;....dataset_ids......0 |
e560 | 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 | .V..4+r.5o....1.V..:+r.5o....2.V |
e580 | ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c | ..;+r.5o....3.V..<+r.5o....4.V.. |
e5a0 | 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b | =+r.5o....5.V..>+r.5o....6.V..?+ |
e5c0 | 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 00 56 ba 0c 41 2b 72 ed | r.5o....7.V..@+r.5o....8.V..A+r. |
e5e0 | 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 | 5o....9.V..B+r.5o....10.V..C+r.5 |
e600 | 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 | o.....features./....56ba0c342b72 |
e620 | 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 be 59 43 6b 51 d9 f3 3f 00 00 02 73 | ed356f000000......0..YCkQ..?...s |
e640 | 6d 69 6c 65 73 00 0c 00 00 00 46 43 28 43 6c 29 28 43 6c 29 46 00 09 75 70 64 61 74 65 64 5f 61 | miles.....FC(Cl)(Cl)F..updated_a |
e660 | 74 00 d6 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 fe ad bf c6 52 01 00 00 10 64 | t.....R....created_at.....R....d |
e680 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 03 00 00 00 02 69 6e 63 | efault_fingerprint_size......inc |
e6a0 | 68 69 00 1b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 43 6c 32 46 32 2f 63 32 2d 31 28 33 2c 34 29 | hi.....InChI=1S/CCl2F2/c2-1(3,4) |
e6c0 | 35 00 00 07 02 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 47 04 77 61 72 6e 69 6e 67 | 5......._id.V..4+r.5o..G.warning |
e6e0 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 39 00 00 00 04 4d 50 32 44 00 2e | s.......fingerprints.9....MP2D.. |
e700 | 00 00 00 02 30 00 11 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 31 00 0a 00 | ....0.....15;1-1-1;2-1-15;..1... |
e720 | 00 00 31 3b 31 2d 32 2d 31 35 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 | ..1;1-2-15;....dataset_ids...... |
e740 | 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 | 0.V..4+r.5o....1.V..:+r.5o....2. |
e760 | 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 34 00 56 ba | V..:+r.5o....3.V..;+r.5o....4.V. |
e780 | 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3e | .<+r.5o....5.V..=+r.5o....6.V..> |
e7a0 | 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 38 00 56 ba 0c 40 2b 72 | +r.5o....7.V..?+r.5o....8.V..@+r |
e7c0 | ed 35 6f 00 01 ce 07 39 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 30 00 56 ba 0c 42 2b 72 ed | .5o....9.V..A+r.5o....10.V..B+r. |
e7e0 | 35 6f 00 01 d1 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed | 5o....11.V..B+r.5o....12.V..C+r. |
e800 | 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 | 5o.....features.:....56ba0c342b7 |
e820 | 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 91 86 e2 13 a6 d6 e2 3f 01 31 00 | 2ed356f000000......0........?.1. |
e840 | 72 d7 a6 56 7f cf e3 3f 00 00 02 73 6d 69 6c 65 73 00 06 00 00 00 43 6c 43 43 6c 00 09 75 70 64 | r..V...?...smiles.....ClCCl..upd |
e860 | 61 74 65 64 5f 61 74 00 67 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 04 ae bf c6 | ated_at.g...R....created_at..... |
e880 | 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 02 00 | R....default_fingerprint_size... |
e8a0 | 00 00 02 69 6e 63 68 69 00 1c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 48 32 43 6c 32 2f 63 32 2d | ...inchi.....InChI=1S/CH2Cl2/c2- |
e8c0 | 31 2d 33 2f 68 31 48 32 00 00 0b 03 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 48 04 | 1-3/h1H2......._id.V..4+r.5o..H. |
e8e0 | 77 61 72 6e 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 01 00 00 | warnings.......fingerprints..... |
e900 | 04 4d 50 32 44 00 07 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; |
e920 | 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 |
e940 | 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; |
e960 | 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 |
e980 | 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; |
e9a0 | 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- |
e9c0 | 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; |
e9e0 | 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- |
ea00 | 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 | 1-2;2-1-15;....dataset_ids...... |
ea20 | 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 | 0.V..4+r.5o....1.V..9+r.5o....2. |
ea40 | 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 34 00 56 ba | V..:+r.5o....3.V..;+r.5o....4.V. |
ea60 | 0c 3b 2b 72 ed 35 6f 00 01 c5 07 35 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 36 00 56 ba 0c 3d | .;+r.5o....5.V..<+r.5o....6.V..= |
ea80 | 2b 72 ed 35 6f 00 01 c8 07 37 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 38 00 56 ba 0c 3f 2b 72 | +r.5o....7.V..>+r.5o....8.V..?+r |
eaa0 | ed 35 6f 00 01 cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c 41 2b 72 ed | .5o....9.V..@+r.5o....10.V..A+r. |
eac0 | 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed | 5o....11.V..B+r.5o....12.V..C+r. |
eae0 | 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 | 5o.....features.:....56ba0c342b7 |
eb00 | 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 1a fc 9f 6f fd 50 85 3f 01 31 00 | 2ed356f000000......0....o.P.?.1. |
eb20 | 7d 07 e9 6d 19 ed 83 3f 00 00 02 73 6d 69 6c 65 73 00 16 00 00 00 43 4f 50 28 3d 4f 29 28 4f 43 | }..m...?...smiles.....COP(=O)(OC |
eb40 | 3d 43 28 43 6c 29 43 6c 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 e8 e8 bf c6 52 01 00 00 | =C(Cl)Cl)OC..updated_at.....R... |
eb60 | 09 63 72 65 61 74 65 64 5f 61 74 00 0a ae bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.....R....default_fin |
eb80 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 08 00 00 00 02 69 6e 63 68 69 00 37 00 00 00 49 6e 43 | gerprint_size......inchi.7...InC |
eba0 | 68 49 3d 31 53 2f 43 34 48 37 43 6c 32 4f 34 50 2f 63 31 2d 38 2d 31 31 28 37 2c 39 2d 32 29 31 | hI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)1 |
ebc0 | 30 2d 33 2d 34 28 35 29 36 2f 68 33 48 2c 31 2d 32 48 33 00 00 57 03 00 00 07 5f 69 64 00 56 ba | 0-3-4(5)6/h3H,1-2H3..W...._id.V. |
ebe0 | 0c 34 2b 72 ed 35 6f 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 | .4+r.5o..I.warnings.......finger |
ec00 | 70 72 69 6e 74 73 00 2b 01 00 00 04 4d 50 32 44 00 20 01 00 00 02 30 00 15 00 00 00 38 3b 31 2d | prints.+....MP2D......0.....8;1- |
ec20 | 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 31 2d 31 3b | 1-1;2-1-1;2-2-3;..1."...1;1-1-1; |
ec40 | 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 00 1c 00 00 | 1-2-3;1-1-8;2-4-3;2-3-15;..2.... |
ec60 | 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 00 02 33 00 | .1;1-1-1;1-3-15;2-2-3;2-1-8;..3. |
ec80 | 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 34 00 21 00 | ....15;1-1-1;2-1-1;2-2-15;..4.!. |
eca0 | 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- |
ecc0 | 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 33 3b 00 02 | 8;..5.....3;1-2-3;2-1-1;2-2-3;.. |
ece0 | 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 16 | 6.....3;1-2-3;2-2-3;2-1-15;..7.. |
ed00 | 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 38 00 10 00 00 00 | ...3;1-2-3;1-1-15;2-2-3;..8..... |
ed20 | 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb | 15;1-1-3;2-2-3;....dataset_ids.. |
ed40 | 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 | ....0.V..4+r.5o....1.V..:+r.5o.. |
ed60 | c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 | ..2.V..:+r.5o....3.V..;+r.5o.... |
ed80 | 34 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 35 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 36 00 | 4.V..;+r.5o....5.V..<+r.5o....6. |
eda0 | 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 37 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 38 00 56 ba | V..=+r.5o....7.V..>+r.5o....8.V. |
edc0 | 0c 3f 2b 72 ed 35 6f 00 01 cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c | .?+r.5o....9.V..@+r.5o....10.V.. |
ede0 | 41 2b 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c | A+r.5o....11.V..B+r.5o....12.V.. |
ee00 | 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 | C+r.5o.....features.:....56ba0c3 |
ee20 | 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 9b 23 bb 7a af a3 ab | 42b72ed356f000000......0..#.z... |
ee40 | 3f 01 31 00 9b 23 bb 7a af a3 7b 3f 00 00 02 73 6d 69 6c 65 73 00 2a 00 00 00 4f 43 28 43 28 43 | ?.1..#.z..{?...smiles.*...OC(C(C |
ee60 | 6c 29 28 43 6c 29 43 6c 29 28 63 31 63 63 63 28 63 63 31 29 43 6c 29 63 31 63 63 63 28 63 63 31 | l)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1 |
ee80 | 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 e6 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 | )Cl..updated_at.....R....created |
eea0 | 5f 61 74 00 11 ae bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at.....R....default_fingerprint |
eec0 | 5f 73 69 7a 65 00 09 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 |
eee0 | 34 48 39 43 6c 35 4f 2f 63 31 35 2d 31 31 2d 35 2d 31 2d 39 28 32 2d 36 2d 31 31 29 31 33 28 32 | 4H9Cl5O/c15-11-5-1-9(2-6-11)13(2 |
ef00 | 30 2c 31 34 28 31 37 2c 31 38 29 31 39 29 31 30 2d 33 2d 37 2d 31 32 28 31 36 29 38 2d 34 2d 31 | 0,14(17,18)19)10-3-7-12(16)8-4-1 |
ef20 | 30 2f 68 31 2d 38 2c 32 30 48 00 00 e4 03 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 | 0/h1-8,20H......._id.V..4+r.5o.. |
ef40 | 4a 04 77 61 72 6e 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 | J.warnings.......fingerprints.z. |
ef60 | 00 00 04 4d 50 32 44 00 6f 01 00 00 02 30 00 16 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d | ...MP2D.o....0.....15;1-1-2;2-1- |
ef80 | 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 2d 32 3b 31 2d | 1;2-1-2;..1.#...2;1-1-1;1-1-2;1- |
efa0 | 31 2d 31 35 3b 32 2d 33 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 32 00 29 00 00 00 31 3b 31 2d 32 2d | 1-15;2-3-1;2-2-15;..2.)...1;1-2- |
efc0 | 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 2d 31 | 1;1-1-2;1-1-15;2-3-1;2-1-2;2-3-1 |
efe0 | 35 3b 00 02 33 00 23 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 32 2d 31 35 3b 32 2d 32 2d 31 3b 32 | 5;..3.#...1;1-2-1;1-2-15;2-2-1;2 |
f000 | 2d 32 2d 32 3b 32 2d 32 2d 31 35 3b 00 02 34 00 16 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 | -2-2;2-2-15;..4.....15;1-1-1;2-2 |
f020 | 2d 31 3b 32 2d 31 2d 32 3b 00 02 35 00 1c 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 35 2d 31 3b 32 | -1;2-1-2;..5.....1;1-3-1;2-5-1;2 |
f040 | 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 36 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 34 2d | -1-2;2-1-15;..6.....1;1-3-1;2-4- |
f060 | 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 34 2d 31 3b 00 02 | 1;2-1-8;..7.....1;1-2-1;2-4-1;.. |
f080 | 38 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 | 8.....1;1-2-1;1-1-8;2-4-1;2-1-8; |
f0a0 | 00 02 39 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b 00 02 31 30 00 17 00 00 00 31 | ..9.....8;1-2-1;2-4-1;..10.....1 |
f0c0 | 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 00 00 04 64 61 74 61 73 65 74 | 5;1-1-1;2-2-1;2-1-15;....dataset |
f0e0 | 5f 69 64 73 00 eb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b | _ids......0.V..4+r.5o....1.V..:+ |
f100 | 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3b 2b 72 ed | r.5o....2.V..:+r.5o....3.V..;+r. |
f120 | 35 6f 00 01 c4 07 34 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 35 00 56 ba 0c 3c 2b 72 ed 35 6f | 5o....4.V..;+r.5o....5.V..<+r.5o |
f140 | 00 01 c6 07 36 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 37 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 | ....6.V..=+r.5o....7.V..>+r.5o.. |
f160 | ca 07 38 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 | ..8.V..?+r.5o....9.V..@+r.5o.... |
f180 | 31 30 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 | 10.V..A+r.5o....11.V..B+r.5o.... |
f1a0 | 31 32 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 33 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 07 | 12.V..B+r.5o....13.V..C+r.5o.... |
f1c0 | 31 34 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 50 00 00 00 04 35 | 14.V..C+r.5o.....features.P....5 |
f1e0 | 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 31 00 00 00 01 30 00 7e | 6ba0c342b72ed356f000000.1....0.~ |
f200 | 40 58 5e 84 34 21 3f 01 31 00 9d 50 ee 75 a5 81 35 3f 01 32 00 7e 40 58 5e 84 34 31 3f 01 33 00 | @X^.4!?.1..P.u..5?.2.~@X^.41?.3. |
f220 | 9d 50 ee 75 a5 81 45 3f 00 00 02 73 6d 69 6c 65 73 00 2f 00 00 00 43 6c 43 31 3d 43 28 43 6c 29 | .P.u..E?...smiles./...ClC1=C(Cl) |
f240 | 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 29 28 43 6c 29 43 | C2(C(C1(Cl)C1C2C2CC1C1C2O1)(Cl)C |
f260 | 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 49 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 | l)Cl..updated_at.I...R....create |
f280 | 64 5f 61 74 00 18 ae bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.....R....default_fingerprin |
f2a0 | 74 5f 73 69 7a 65 00 0b 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 |
f2c0 | 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- |
f2e0 | 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 |
f300 | 37 29 31 38 2f 68 32 2d 37 48 2c 31 48 32 00 00 f5 02 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed | 7)18/h2-7H,1H2......._id.V..4+r. |
f320 | 35 6f 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 70 72 69 6e 74 | 5o..K.warnings.......fingerprint |
f340 | 73 00 f2 00 00 00 04 4d 50 32 44 00 e7 00 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 35 3b 32 | s......MP2D......0.....1;1-1-5;2 |
f360 | 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 31 00 1b 00 00 00 35 3b 31 2d 32 2d 31 3b 31 2d 31 2d 35 | -1-1;2-1-5;..1.....5;1-2-1;1-1-5 |
f380 | 3b 32 2d 33 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 00 27 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | ;2-3-1;2-1-3;..2.'...1;1-1-1;1-1 |
f3a0 | 2d 33 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 00 02 33 00 15 | -3;1-1-5;2-2-1;2-2-3;2-1-5;..3.. |
f3c0 | 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 35 3b 00 02 34 00 21 00 00 00 33 | ...1;1-2-1;2-2-3;2-2-5;..4.!...3 |
f3e0 | 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 35 3b 00 | ;1-1-1;1-2-3;2-1-1;2-2-3;2-1-5;. |
f400 | 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 0f | .5.....3;1-2-3;2-1-1;2-2-3;..6.. |
f420 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 | ...3;1-2-3;2-2-3;....dataset_ids |
f440 | 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f | ......0.V..4+r.5o....1.V..:+r.5o |
f460 | 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 | ....2.V..;+r.5o....3.V..<+r.5o.. |
f480 | c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 | ..4.V..<+r.5o....5.V..>+r.5o.... |
f4a0 | 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 | 6.V..?+r.5o....7.V..@+r.5o....8. |
f4c0 | 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 | V..A+r.5o....9.V..B+r.5o....10.V |
f4e0 | ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 | ..C+r.5o.....features./....56ba0 |
f500 | 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 86 f3 41 98 94 | c342b72ed356f000000......0...A.. |
f520 | b3 df 3f 00 00 02 73 6d 69 6c 65 73 00 1e 00 00 00 43 6e 31 6e 28 43 29 63 28 63 63 31 63 31 63 | ..?...smiles.....Cn1n(C)c(cc1c1c |
f540 | 63 63 63 63 31 29 63 31 63 63 63 63 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 47 e9 bf c6 52 | cccc1)c1ccccc1..updated_at.G...R |
f560 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 2d ae bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.-...R....default_ |
f580 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 07 00 00 00 02 69 6e 63 68 69 00 64 00 00 00 | fingerprint_size......inchi.d... |
f5a0 | 49 6e 43 68 49 3d 31 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 | InChI=1S/C17H20N2/c1-18-16(14-9- |
f5c0 | 35 2d 33 2d 36 2d 31 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 | 5-3-6-10-14)13-17(19(18)2)15-11- |
f5e0 | 37 2d 34 2d 38 2d 31 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 | 7-4-8-12-15/h3-12,16-17H,13H2,1- |
f600 | 32 48 33 00 00 68 04 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 4c 04 77 61 72 6e 69 | 2H3..h...._id.V..4+r.5o..L.warni |
f620 | 6e 67 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 | ngs.......fingerprints......MP2D |
f640 | 00 07 02 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.. |
f660 | 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 3b 00 02 | ...2;1-1-9;1-2-28;2-1-2;2-1-3;.. |
f680 | 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 31 2d 32 | 2.....28;1-2-2;2-1-3;2-2-9;2-1-2 |
f6a0 | 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 38 3b 32 | 8;..3."...2;1-1-3;1-1-9;1-1-28;2 |
f6c0 | 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 31 2d 33 | -1-2;2-2-3;..4.....9;1-1-2;2-1-3 |
f6e0 | 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 3b 32 2d | ;2-1-28;..5.)...3;1-1-2;1-2-3;2- |
f700 | 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 00 00 00 | 2-3;2-1-9;2-2-16;2-1-28;..6..... |
f720 | 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 37 00 10 | 3;1-2-3;1-1-16;2-1-2;2-2-3;..7.. |
f740 | 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 2d 32 2d | ...16;1-1-3;2-2-3;..8.....3;1-2- |
f760 | 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 33 3b 32 | 3;2-2-3;2-1-16;..9.....3;1-2-3;2 |
f780 | 2d 32 2d 33 3b 00 02 31 30 00 23 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 | -2-3;..10.#...28;1-1-2;1-1-3;2-2 |
f7a0 | 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 31 2d 32 2d 33 | -3;2-1-9;2-1-28;..11.....3;1-2-3 |
f7c0 | 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 32 00 16 00 00 00 33 3b 31 | ;1-1-28;2-1-2;2-2-3;..12.....3;1 |
f7e0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 16 00 00 00 33 3b 31 2d 32 | -2-3;2-2-3;2-1-28;..13.....3;1-2 |
f800 | 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 |
f820 | 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 33 3b | ;1-1-15;2-2-3;..15.....15;1-1-3; |
f840 | 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 db 00 00 00 07 30 00 56 ba 0c | 2-2-3;....dataset_ids......0.V.. |
f860 | 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b | 4+r.5o....1.V..:+r.5o....2.V..;+ |
f880 | 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3c 2b 72 ed | r.5o....3.V..;+r.5o....4.V..<+r. |
f8a0 | 35 6f 00 01 c6 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3e 2b 72 ed 35 6f | 5o....5.V..=+r.5o....6.V..>+r.5o |
f8c0 | 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 38 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 | ....7.V..?+r.5o....8.V..@+r.5o.. |
f8e0 | cd 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 | ..9.V..@+r.5o....10.V..A+r.5o... |
f900 | 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 32 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 | .11.V..B+r.5o....12.V..B+r.5o... |
f920 | 07 31 33 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 45 00 00 00 04 | .13.V..C+r.5o.....features.E.... |
f940 | 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 26 00 00 00 01 30 00 | 56ba0c342b72ed356f000000.&....0. |
f960 | e1 0c 5e e6 20 5e 9a 3f 01 31 00 28 e6 ce 13 60 b5 99 3f 01 32 00 45 4b 92 c9 5c 12 97 3f 00 00 | ..^..^.?.1.(...`..?.2.EK..\..?.. |
f980 | 02 73 6d 69 6c 65 73 00 25 00 00 00 4f 3d 43 28 4e 43 28 3d 4f 29 63 31 63 28 46 29 63 63 63 63 | .smiles.%...O=C(NC(=O)c1c(F)cccc |
f9a0 | 31 46 29 4e 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 42 ea bf | 1F)Nc1ccc(cc1)Cl..updated_at.B.. |
f9c0 | c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 33 ae bf c6 52 01 00 00 10 64 65 66 61 75 6c | .R....created_at.3...R....defaul |
f9e0 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 10 00 00 00 02 69 6e 63 68 69 00 6a 00 | t_fingerprint_size......inchi.j. |
fa00 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 39 43 6c 46 32 4e 32 4f 32 2f 63 31 35 2d 38 2d 34 | ..InChI=1S/C14H9ClF2N2O2/c15-8-4 |
fa20 | 2d 36 2d 39 28 37 2d 35 2d 38 29 31 38 2d 31 34 28 32 31 29 31 39 2d 31 33 28 32 30 29 31 32 2d | -6-9(7-5-8)18-14(21)19-13(20)12- |
fa40 | 31 30 28 31 36 29 32 2d 31 2d 33 2d 31 31 28 31 32 29 31 37 2f 68 31 2d 37 48 2c 28 48 32 2c 31 | 10(16)2-1-3-11(12)17/h1-7H,(H2,1 |
fa60 | 38 2c 31 39 2c 32 30 2c 32 31 29 00 00 ae 02 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 | 8,19,20,21)......._id.V..4+r.5o. |
fa80 | 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 d3 | .M.warnings.......fingerprints.. |
faa0 | 00 00 00 04 4d 50 32 44 00 c8 00 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d | ....MP2D......0.....1;1-1-2;2-1- |
fac0 | 32 3b 32 2d 31 2d 33 30 3b 00 02 31 00 29 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 | 2;2-1-30;..1.)...2;1-1-1;1-1-2;1 |
fae0 | 2d 31 2d 33 30 3b 32 2d 32 2d 31 3b 32 2d 32 2d 39 3b 32 2d 31 2d 33 30 3b 00 02 32 00 22 00 00 | -1-30;2-2-1;2-2-9;2-1-30;..2.".. |
fb00 | 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 3b 32 2d 31 2d | .30;1-1-1;1-1-2;1-2-9;2-2-1;2-1- |
fb20 | 32 3b 00 02 33 00 1c 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 | 2;..3.....9;1-1-30;2-1-1;2-1-2;2 |
fb40 | 2d 31 2d 39 3b 00 02 34 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d | -1-9;..4.#...1;1-1-1;1-1-30;2-1- |
fb60 | 32 3b 32 2d 32 2d 39 3b 32 2d 31 2d 33 30 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab | 2;2-2-9;2-1-30;....dataset_ids.. |
fb80 | 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 | ....0.V..4+r.5o....1.V..:+r.5o.. |
fba0 | c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 | ..2.V..;+r.5o....3.V..<+r.5o.... |
fbc0 | 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 | 4.V..=+r.5o....5.V..>+r.5o....6. |
fbe0 | 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba | V..?+r.5o....7.V..@+r.5o....8.V. |
fc00 | 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c | .A+r.5o....9.V..B+r.5o....10.V.. |
fc20 | 43 2b 72 ed 35 6f 00 01 d3 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 | C+r.5o.....features./....56ba0c3 |
fc40 | 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 d5 c7 f0 45 79 59 a8 | 42b72ed356f000000......0....EyY. |
fc60 | 3f 00 00 02 73 6d 69 6c 65 73 00 1c 00 00 00 43 43 31 3d 43 28 43 29 53 28 3d 4f 29 28 3d 4f 29 | ?...smiles.....CC1=C(C)S(=O)(=O) |
fc80 | 43 43 53 31 28 3d 4f 29 3d 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 82 e6 bf c6 52 01 00 00 09 | CCS1(=O)=O..updated_at.....R.... |
fca0 | 63 72 65 61 74 65 64 5f 61 74 00 39 ae bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at.9...R....default_fing |
fcc0 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 05 00 00 00 02 69 6e 63 68 69 00 3e 00 00 00 49 6e 43 68 | erprint_size......inchi.>...InCh |
fce0 | 49 3d 31 53 2f 43 36 48 31 30 4f 34 53 32 2f 63 31 2d 35 2d 36 28 32 29 31 32 28 39 2c 31 30 29 | I=1S/C6H10O4S2/c1-5-6(2)12(9,10) |
fd00 | 34 2d 33 2d 31 31 28 35 2c 37 29 38 2f 68 33 2d 34 48 32 2c 31 2d 32 48 33 00 00 72 03 00 00 07 | 4-3-11(5,7)8/h3-4H2,1-2H3..r.... |
fd20 | 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 4e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..4+r.5o..N.warnings....... |
fd40 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 6d 01 00 00 04 4d 50 32 44 00 62 01 00 00 02 30 00 10 00 | fingerprints.m....MP2D.b....0... |
fd60 | 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 2d | ..1;1-1-28;2-1-2;..1.....28;1-1- |
fd80 | 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 32 00 23 00 00 00 32 3b 31 2d | 1;1-1-2;2-1-1;2-1-9;..2.#...2;1- |
fda0 | 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 31 30 3b 00 02 | 1-1;1-1-9;1-1-28;2-1-1;2-1-10;.. |
fdc0 | 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 3b 00 02 34 00 24 | 3.....9;1-1-2;2-1-1;2-1-28;..4.$ |
fde0 | 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 32 3b 32 | ...1;1-1-2;1-1-10;2-1-9;2-1-12;2 |
fe00 | 2d 31 2d 32 38 3b 00 02 35 00 24 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d | -1-28;..5.$...10;1-1-1;1-1-12;2- |
fe20 | 31 2d 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 36 00 1e 00 00 00 31 32 3b 31 2d 32 2d | 1-2;2-2-8;2-1-18;..6.....12;1-2- |
fe40 | 38 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 31 38 3b 32 2d 33 2d 31 3b 00 02 37 00 18 00 00 00 31 38 | 8;1-1-10;1-1-18;2-3-1;..7.....18 |
fe60 | 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 30 3b 00 02 38 00 24 00 00 00 38 3b 31 | ;1-1-12;2-2-8;2-1-10;..8.$...8;1 |
fe80 | 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 38 3b | -1-1;1-1-12;2-1-8;2-1-10;2-1-18; |
fea0 | 00 02 39 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 00 00 04 64 61 74 61 73 | ..9.....1;1-1-8;2-1-12;....datas |
fec0 | 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c | et_ids......0.V..4+r.5o....1.V.. |
fee0 | 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 33 00 56 ba 0c 3b 2b | 9+r.5o....2.V..:+r.5o....3.V..;+ |
ff00 | 72 ed 35 6f 00 01 c4 07 34 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 35 00 56 ba 0c 3c 2b 72 ed | r.5o....4.V..;+r.5o....5.V..<+r. |
ff20 | 35 6f 00 01 c6 07 36 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 37 00 56 ba 0c 3e 2b 72 ed 35 6f | 5o....6.V..=+r.5o....7.V..>+r.5o |
ff40 | 00 01 ca 07 38 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 | ....8.V..?+r.5o....9.V..@+r.5o.. |
ff60 | ce 07 31 30 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 | ..10.V..A+r.5o....11.V..B+r.5o.. |
ff80 | d2 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 | ..12.V..C+r.5o.....features.:... |
ffa0 | 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 | .56ba0c342b72ed356f000000......0 |
ffc0 | 00 1f 2a d1 ec ca dd 51 3f 01 31 00 a7 74 05 a8 3d 55 96 3f 00 00 02 73 6d 69 6c 65 73 00 15 00 | ..*....Q?.1..t..=U.?...smiles... |
ffe0 | 00 00 43 4e 43 28 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 | ..CNC(=O)CSP(=S)(OC)OC..updated_ |
10000 | 61 74 00 fe e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 3f ae bf c6 52 01 00 00 10 | at.....R....created_at.?...R.... |
10020 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0a 00 00 00 02 69 6e | default_fingerprint_size......in |
10040 | 63 68 69 00 44 00 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 | chi.D...InChI=1S/C5H12NO3PS2/c1- |
10060 | 36 2d 35 28 37 29 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 | 6-5(7)4-12-10(11,8-2)9-3/h4H2,1- |
10080 | 33 48 33 2c 28 48 2c 36 2c 37 29 00 00 ec 02 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 | 3H3,(H,6,7)......._id.V..4+r.5o. |
100a0 | 00 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 1c | .O.warnings.......fingerprints.. |
100c0 | 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 2d 38 3b 32 2d 31 2d | ....MP2D......0.....1;1-1-8;2-1- |
100e0 | 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 02 | 3;..1.....8;1-1-1;1-1-3;2-2-3;.. |
10100 | 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; |
10120 | 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 00 | ..3.....3;1-2-3;2-2-3;2-1-8;..4. |
10140 | 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 1c 00 00 | ....3;1-2-3;2-2-3;2-1-19;..5.... |
10160 | 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 36 00 | .3;1-2-3;1-1-19;2-2-3;2-1-8;..6. |
10180 | 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 3b 32 2d | "...3;1-2-3;1-1-8;2-1-1;2-2-3;2- |
101a0 | 31 2d 31 39 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 32 2d 38 | 1-19;..7.....3;1-2-3;2-2-3;2-2-8 |
101c0 | 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 04 64 61 74 61 | ;..8.....19;1-1-3;2-2-3;....data |
101e0 | 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba | set_ids......0.V..4+r.5o....1.V. |
10200 | 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3b | .:+r.5o....2.V..;+r.5o....3.V..; |
10220 | 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 | +r.5o....4.V..=+r.5o....5.V..>+r |
10240 | ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 | .5o....6.V..?+r.5o....7.V..@+r.5 |
10260 | 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 | o....8.V..A+r.5o....9.V..B+r.5o. |
10280 | 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 | ...10.V..C+r.5o.....features./.. |
102a0 | 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 | ..56ba0c342b72ed356f000000...... |
102c0 | 30 00 7a 1d 0e 5e 41 d4 fc 3f 00 00 02 73 6d 69 6c 65 73 00 12 00 00 00 43 4f 63 31 63 63 63 28 | 0.z..^A..?...smiles.....COc1ccc( |
102e0 | 63 28 63 31 29 4f 43 29 4e 00 09 75 70 64 61 74 65 64 5f 61 74 00 0b e9 bf c6 52 01 00 00 09 63 | c(c1)OC)N..updated_at.....R....c |
10300 | 72 65 61 74 65 64 5f 61 74 00 44 ae bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.D...R....default_finge |
10320 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 09 00 00 00 02 69 6e 63 68 69 00 3d 00 00 00 49 6e 43 68 49 | rprint_size......inchi.=...InChI |
10340 | 3d 31 53 2f 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 | =1S/C8H11NO2/c1-10-6-3-4-7(9)8(5 |
10360 | 2d 36 29 31 31 2d 32 2f 68 33 2d 35 48 2c 39 48 32 2c 31 2d 32 48 33 00 00 31 02 00 00 07 5f 69 | -6)11-2/h3-5H,9H2,1-2H3..1...._i |
10380 | 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 50 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..4+r.5o..P.warnings.......fi |
103a0 | 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 02 30 00 10 00 00 00 | ngerprints.~....MP2D.s....0..... |
103c0 | 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 2d 31 2d 31 3b 31 | 1;1-1-8;2-1-12;..1.....8;1-1-1;1 |
103e0 | 2d 31 2d 31 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 | -1-12;2-1-8;2-1-9;..2.....12;1-2 |
10400 | 2d 38 3b 31 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 | -8;1-1-9;2-2-1;..3.....9;1-1-12; |
10420 | 32 2d 32 2d 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c | 2-2-8;....dataset_ids......0.V.. |
10440 | 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b | 4+r.5o....1.V..:+r.5o....2.V..;+ |
10460 | 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed | r.5o....3.V..<+r.5o....4.V..<+r. |
10480 | 35 6f 00 01 c7 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f | 5o....5.V..>+r.5o....6.V..?+r.5o |
104a0 | 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 | ....7.V..@+r.5o....8.V..A+r.5o.. |
104c0 | d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 | ..9.V..B+r.5o....10.V..C+r.5o... |
104e0 | 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 | ..features./....56ba0c342b72ed35 |
10500 | 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 2a 14 b4 f9 f5 13 ed 3f 00 00 02 73 6d 69 6c 65 | 6f000000......0.*......?...smile |
10520 | 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 00 20 e9 bf c6 | s.....COP(=O)OC..updated_at..... |
10540 | 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 49 ae bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 | R....created_at.I...R....default |
10560 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 04 00 00 00 02 69 6e 63 68 69 00 28 00 00 | _fingerprint_size......inchi.(.. |
10580 | 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 35 2d 32 2f 68 | .InChI=1S/C2H7O3P/c1-4-6(3)5-2/h |
105a0 | 36 48 2c 31 2d 32 48 33 00 00 ff 02 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 51 04 | 6H,1-2H3......._id.V..4+r.5o..Q. |
105c0 | 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 25 01 00 00 | warnings.......fingerprints.%... |
105e0 | 04 4d 50 32 44 00 1a 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......0.....9;1-1-19;2-1-3; |
10600 | 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 |
10620 | 2d 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 33 3b | -3;..2.....3;1-2-3;1-1-19;2-2-3; |
10640 | 32 2d 32 2d 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 | 2-2-9;..3.....3;1-2-3;2-2-3;2-1- |
10660 | 31 39 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 | 19;..4.....3;1-2-3;2-1-1;2-2-3;. |
10680 | 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 |
106a0 | 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 32 | 9;..6."...3;1-2-3;1-1-19;2-1-1;2 |
106c0 | 2d 32 2d 33 3b 32 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 | -2-3;2-2-9;..7.....3;1-2-3;2-2-3 |
106e0 | 3b 32 2d 32 2d 31 39 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 | ;2-2-19;..8.....1;1-1-3;2-2-3;.. |
10700 | 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 | ..dataset_ids......0.V..4+r.5o.. |
10720 | 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 | ..1.V..:+r.5o....2.V..;+r.5o.... |
10740 | 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 | 3.V..<+r.5o....4.V..=+r.5o....5. |
10760 | 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba | V..>+r.5o....6.V..?+r.5o....7.V. |
10780 | 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 | .@+r.5o....8.V..A+r.5o....9.V..B |
107a0 | 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 00 03 66 65 61 74 75 72 | +r.5o....10.V..C+r.5o.....featur |
107c0 | 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 | es./....56ba0c342b72ed356f000000 |
107e0 | 00 10 00 00 00 01 30 00 2c f7 b1 98 01 e5 c7 3f 00 00 02 73 6d 69 6c 65 73 00 1c 00 00 00 4f 3d | ......0.,......?...smiles.....O= |
10800 | 4e 28 3d 4f 29 63 31 63 63 63 28 63 28 63 31 29 4e 28 3d 4f 29 3d 4f 29 43 00 09 75 70 64 61 74 | N(=O)c1ccc(c(c1)N(=O)=O)C..updat |
10820 | 65 64 5f 61 74 00 66 e6 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 4f ae bf c6 52 01 | ed_at.f...R....created_at.O...R. |
10840 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 09 00 00 00 | ...default_fingerprint_size..... |
10860 | 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 63 31 2d | .inchi.=...InChI=1S/C7H6N2O4/c1- |
10880 | 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 2f 68 32 | 5-2-3-6(8(10)11)4-7(5)9(12)13/h2 |
108a0 | 2d 34 48 2c 31 48 33 00 00 08 03 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 52 04 77 | -4H,1H3......._id.V..4+r.5o..R.w |
108c0 | 61 72 6e 69 6e 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 | arnings.......fingerprints...... |
108e0 | 4d 50 32 44 00 08 01 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 | MP2D......0.....1;1-1-28;2-1-1;2 |
10900 | 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 32 3b 32 2d 31 2d | -1-2;..1.....28;1-2-1;1-1-2;2-1- |
10920 | 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 31 2d 39 3b 31 2d | 1;2-1-9;..2."...2;1-1-1;1-1-9;1- |
10940 | 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 3b 31 2d 31 2d 32 | 1-28;2-2-1;2-2-3;..3.....9;1-1-2 |
10960 | 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 31 2d 32 3b 31 2d | ;2-1-1;2-1-28;..4."...1;1-1-2;1- |
10980 | 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 00 1b 00 00 00 33 | 2-3;2-4-3;2-1-9;2-1-28;..5.....3 |
109a0 | 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 36 00 15 00 00 | ;1-1-1;1-2-3;2-1-2;2-3-3;..6.... |
109c0 | 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 33 3b 31 | .3;1-2-3;2-1-1;2-2-3;..7.....3;1 |
109e0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 | -2-3;2-2-3;....dataset_ids...... |
10a00 | 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 | 0.V..4+r.5o....1.V..:+r.5o....2. |
10a20 | 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba | V..;+r.5o....3.V..<+r.5o....4.V. |
10a40 | 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba 0c 3f | .=+r.5o....5.V..=+r.5o....6.V..? |
10a60 | 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 | +r.5o....7.V..@+r.5o....8.V..A+r |
10a80 | ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed | .5o....9.V..B+r.5o....10.V..C+r. |
10aa0 | 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 | 5o.....features./....56ba0c342b7 |
10ac0 | 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 82 f3 47 54 c5 0b c0 3f 00 00 02 | 2ed356f000000......0...GT...?... |
10ae0 | 73 6d 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 | smiles.....CN(C(=O)C(c1ccccc1)c1 |
10b00 | 63 63 63 63 63 31 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 84 e9 bf c6 52 01 00 00 09 63 72 | ccccc1)C..updated_at.....R....cr |
10b20 | 65 61 74 65 64 5f 61 74 00 55 ae bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at.U...R....default_finger |
10b40 | 70 72 69 6e 74 5f 73 69 7a 65 00 08 00 00 00 02 69 6e 63 68 69 00 56 00 00 00 49 6e 43 68 49 3d | print_size......inchi.V...InChI= |
10b60 | 31 53 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 | 1S/C16H17NO/c1-17(2)16(18)15(13- |
10b80 | 39 2d 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 | 9-5-3-6-10-13)14-11-7-4-8-12-14/ |
10ba0 | 68 33 2d 31 32 2c 31 35 48 2c 31 2d 32 48 33 00 00 76 02 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 | h3-12,15H,1-2H3..v...._id.V..4+r |
10bc0 | ed 35 6f 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 | .5o..S.warnings.......fingerprin |
10be0 | 74 73 00 77 00 00 00 04 4d 50 32 44 00 6c 00 00 00 02 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b | ts.w....MP2D.l....0.....3;1-2-3; |
10c00 | 32 2d 32 2d 33 3b 00 02 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 2-2-3;..1.....3;1-2-3;2-2-3;2-1- |
10c20 | 31 39 3b 00 02 32 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 | 19;..2.....3;1-2-3;1-1-19;2-3-3; |
10c40 | 00 02 33 00 10 00 00 00 31 39 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 00 00 04 64 61 74 61 73 | ..3.....19;1-2-3;2-4-3;....datas |
10c60 | 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c | et_ids......0.V..4+r.5o....1.V.. |
10c80 | 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b | :+r.5o....2.V..;+r.5o....3.V..<+ |
10ca0 | 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3d 2b 72 ed | r.5o....4.V..<+r.5o....5.V..=+r. |
10cc0 | 35 6f 00 01 c8 07 36 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f | 5o....6.V..>+r.5o....7.V..?+r.5o |
10ce0 | 00 01 cc 07 38 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 | ....8.V..@+r.5o....9.V..@+r.5o.. |
10d00 | ce 07 31 30 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 | ..10.V..A+r.5o....11.V..B+r.5o.. |
10d20 | d2 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 | ..12.V..C+r.5o.....features.:... |
10d40 | 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 | .56ba0c342b72ed356f000000......0 |
10d60 | 00 4c 42 8e 19 cc 72 c7 3f 01 31 00 77 35 62 2d f7 e8 c2 3f 00 00 02 73 6d 69 6c 65 73 00 14 00 | .LB...r.?.1.w5b-...?...smiles... |
10d80 | 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 64 61 74 65 64 5f 61 | ..c1ccc(cc1)Nc1ccccc1..updated_a |
10da0 | 74 00 fd e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 5b ae bf c6 52 01 00 00 10 64 | t.....R....created_at.[...R....d |
10dc0 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 04 00 00 00 02 69 6e 63 | efault_fingerprint_size......inc |
10de0 | 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 31 2d 33 2d 37 2d 31 | hi.?...InChI=1S/C12H11N/c1-3-7-1 |
10e00 | 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 31 32 2f 68 31 2d 31 | 1(8-4-1)13-12-9-5-2-6-10-12/h1-1 |
10e20 | 30 2c 31 33 48 00 00 e2 02 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 54 04 77 61 72 | 0,13H......._id.V..4+r.5o..T.war |
10e40 | 6e 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 50 | nings.......fingerprints......MP |
10e60 | 32 44 00 c9 00 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 00 | 2D......0.....1;1-2-1;2-2-1;..1. |
10e80 | 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 32 00 15 00 00 00 | ....1;1-2-1;2-1-1;2-1-5;..2..... |
10ea0 | 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 00 00 00 35 3b 31 2d | 1;1-1-1;1-1-5;2-3-1;..3.....5;1- |
10ec0 | 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 3b 31 2d 31 2d 35 3b | 3-1;2-4-1;..4.....1;1-2-1;1-1-5; |
10ee0 | 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 2d 31 3b 32 2d 32 2d | 2-4-1;2-1-5;..5.....1;1-2-1;2-2- |
10f00 | 31 3b 32 2d 31 2d 35 3b 00 02 36 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d | 1;2-1-5;..6.....1;1-1-1;1-1-5;2- |
10f20 | 32 2d 31 3b 32 2d 31 2d 35 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 | 2-1;2-1-5;....dataset_ids......0 |
10f40 | 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 | .V..4+r.5o....1.V..:+r.5o....2.V |
10f60 | ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 34 00 56 ba 0c | ..:+r.5o....3.V..;+r.5o....4.V.. |
10f80 | 3b 2b 72 ed 35 6f 00 01 c5 07 35 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 36 00 56 ba 0c 3d 2b | ;+r.5o....5.V..<+r.5o....6.V..=+ |
10fa0 | 72 ed 35 6f 00 01 c8 07 37 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 38 00 56 ba 0c 3f 2b 72 ed | r.5o....7.V..>+r.5o....8.V..?+r. |
10fc0 | 35 6f 00 01 cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c 41 2b 72 ed 35 | 5o....9.V..@+r.5o....10.V..A+r.5 |
10fe0 | 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed 35 | o....11.V..B+r.5o....12.V..C+r.5 |
11000 | 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 | o.....features.:....56ba0c342b72 |
11020 | 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 8b 72 17 d2 9f 73 68 3f 01 31 00 16 | ed356f000000......0..r...sh?.1.. |
11040 | d6 54 22 b3 07 68 3f 00 00 02 73 6d 69 6c 65 73 00 17 00 00 00 63 31 63 63 6e 32 63 28 63 31 29 | .T"..h?...smiles.....c1ccn2c(c1) |
11060 | 63 31 63 63 63 63 6e 31 43 43 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 d5 e8 bf c6 52 01 00 00 | c1ccccn1CC2..updated_at.....R... |
11080 | 09 63 72 65 61 74 65 64 5f 61 74 00 61 ae bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.a...R....default_fin |
110a0 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 07 00 00 00 02 69 6e 63 68 69 00 4b 00 00 00 49 6e 43 | gerprint_size......inchi.K...InC |
110c0 | 68 49 3d 31 53 2f 43 31 32 48 32 32 4e 32 2f 63 31 2d 33 2d 37 2d 31 33 2d 39 2d 31 30 2d 31 34 | hI=1S/C12H22N2/c1-3-7-13-9-10-14 |
110e0 | 2d 38 2d 34 2d 32 2d 36 2d 31 32 28 31 34 29 31 31 28 31 33 29 35 2d 31 2f 68 31 31 2d 31 32 48 | -8-4-2-6-12(14)11(13)5-1/h11-12H |
11100 | 2c 31 2d 31 30 48 32 00 00 86 03 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 55 04 77 | ,1-10H2......._id.V..4+r.5o..U.w |
11120 | 61 72 6e 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 00 00 04 | arnings.......fingerprints.x.... |
11140 | 4d 50 32 44 00 6d 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 00 | MP2D.m....0.....1;1-1-1;2-1-10;. |
11160 | 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 32 00 | .1.....1;1-1-1;1-1-10;2-1-1;..2. |
11180 | 10 00 00 00 31 30 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 00 1d 00 00 00 31 3b 31 2d 31 | ....10;1-2-1;2-2-1;..3.....1;1-1 |
111a0 | 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 34 00 1e 00 00 00 31 | -1;1-1-10;2-1-1;2-1-10;..4.....1 |
111c0 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 32 3b 00 02 35 00 | ;1-1-1;1-1-10;2-1-10;2-1-12;..5. |
111e0 | 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 38 3b | $...10;1-1-1;1-1-12;2-1-1;2-2-8; |
11200 | 32 2d 31 2d 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 | 2-1-18;..6.....12;1-2-8;1-1-10;1 |
11220 | 2d 31 2d 31 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 | -1-18;2-3-1;..7.....18;1-1-12;2- |
11240 | 32 2d 38 3b 32 2d 31 2d 31 30 3b 00 02 38 00 2a 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 | 2-8;2-1-10;..8.*...8;1-1-1;1-1-1 |
11260 | 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 39 00 | 2;2-1-1;2-1-8;2-1-10;2-1-18;..9. |
11280 | 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 30 00 0f 00 | ....1;1-1-1;1-1-8;2-1-12;..10... |
112a0 | 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 | ..1;1-1-1;2-1-8;....dataset_ids. |
112c0 | cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 | .....0.V..4+r.5o....1.V..:+r.5o. |
112e0 | 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 | ...2.V..:+r.5o....3.V..;+r.5o... |
11300 | 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 | .4.V..<+r.5o....5.V..=+r.5o....6 |
11320 | 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 37 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 38 00 56 | .V..=+r.5o....7.V..>+r.5o....8.V |
11340 | ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba | ..?+r.5o....9.V..@+r.5o....10.V. |
11360 | 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba | .A+r.5o....11.V..B+r.5o....12.V. |
11380 | 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 45 00 00 00 04 35 36 62 61 30 63 | .C+r.5o.....features.E....56ba0c |
113a0 | 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 26 00 00 00 01 30 00 c0 a0 2c 63 0e e2 | 342b72ed356f000000.&....0...,c.. |
113c0 | 37 3f 01 31 00 66 4d bd b5 3e 1b 23 3f 01 32 00 6d 4a e4 39 76 45 4a 3f 00 00 02 73 6d 69 6c 65 | 7?.1.fM..>.#?.2.mJ.9vEJ?...smile |
113e0 | 73 00 14 00 00 00 43 43 53 43 43 53 50 28 3d 53 29 28 4f 43 43 29 4f 43 43 00 09 75 70 64 61 74 | s.....CCSCCSP(=S)(OCC)OCC..updat |
11400 | 65 64 5f 61 74 00 54 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 67 ae bf c6 52 01 | ed_at.T...R....created_at.g...R. |
11420 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0b 00 00 00 | ...default_fingerprint_size..... |
11440 | 02 69 6e 63 68 69 00 43 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 31 39 4f 32 50 53 33 2f 63 | .inchi.C...InChI=1S/C8H19O2PS3/c |
11460 | 31 2d 34 2d 39 2d 31 31 28 31 32 2c 31 30 2d 35 2d 32 29 31 34 2d 38 2d 37 2d 31 33 2d 36 2d 33 | 1-4-9-11(12,10-5-2)14-8-7-13-6-3 |
11480 | 2f 68 34 2d 38 48 32 2c 31 2d 33 48 33 00 00 5b 02 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 | /h4-8H2,1-3H3..[...._id.V..4+r.5 |
114a0 | 6f 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 72 69 6e 74 73 | o..V.warnings.......fingerprints |
114c0 | 00 92 00 00 00 04 4d 50 32 44 00 87 00 00 00 02 30 00 18 00 00 00 32 38 3b 31 2d 31 2d 32 3b 32 | ......MP2D......0.....28;1-1-2;2 |
114e0 | 2d 31 2d 31 38 3b 32 2d 31 2d 32 38 3b 00 02 31 00 18 00 00 00 32 3b 31 2d 31 2d 31 38 3b 31 2d | -1-18;2-1-28;..1.....2;1-1-18;1- |
11500 | 32 2d 32 38 3b 32 2d 31 2d 32 38 3b 00 02 32 00 11 00 00 00 31 38 3b 31 2d 31 2d 32 3b 32 2d 32 | 2-28;2-1-28;..2.....18;1-1-2;2-2 |
11520 | 2d 32 38 3b 00 02 33 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 | -28;..3.%...28;1-1-2;1-1-28;2-1- |
11540 | 32 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 32 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 | 2;2-1-18;2-1-28;....dataset_ids. |
11560 | ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 | .....0.V..4+r.5o....1.V..:+r.5o. |
11580 | 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 | ...2.V..;+r.5o....3.V..<+r.5o... |
115a0 | 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 | .4.V..=+r.5o....5.V..>+r.5o....6 |
115c0 | 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 | .V..?+r.5o....7.V..@+r.5o....8.V |
115e0 | ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba | ..A+r.5o....9.V..B+r.5o....10.V. |
11600 | 0c 43 2b 72 ed 35 6f 00 01 d3 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 | .C+r.5o.....features./....56ba0c |
11620 | 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 28 ec 77 6d 22 37 | 342b72ed356f000000......0.(.wm"7 |
11640 | 19 40 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 29 4e 00 09 | .@...smiles.....NC(=S)NNC(=S)N.. |
11660 | 75 70 64 61 74 65 64 5f 61 74 00 75 e6 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 6c | updated_at.u...R....created_at.l |
11680 | ae bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | ...R....default_fingerprint_size |
116a0 | 00 04 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 36 4e 34 53 | ......inchi.9...InChI=1S/C2H6N4S |
116c0 | 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 37 29 28 48 | 2/c3-1(7)5-6-2(4)8/h(H3,3,5,7)(H |
116e0 | 33 2c 34 2c 36 2c 38 29 00 00 89 03 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 57 04 | 3,4,6,8)......._id.V..4+r.5o..W. |
11700 | 77 61 72 6e 69 6e 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 | warnings.......fingerprints.r... |
11720 | 04 4d 50 32 44 00 67 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 | .MP2D.g....0.....9;1-1-2;2-2-28; |
11740 | 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 3b 32 2d 31 | ..1.....2;1-1-9;1-2-28;2-2-1;2-1 |
11760 | 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 31 2d 39 3b | -3;..2.....28;1-2-1;1-1-2;2-1-9; |
11780 | 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 31 3b 32 2d | 2-1-28;..3.....1;1-1-28;2-1-1;2- |
117a0 | 31 2d 32 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 32 2d 33 | 1-2;..4.#...28;1-1-2;1-1-3;2-2-3 |
117c0 | 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 35 00 1c 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- |
117e0 | 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 2d 32 2d 33 | 1-28;2-1-2;2-2-3;..6.....3;1-2-3 |
11800 | 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 33 3b 32 2d | ;2-2-3;2-1-28;..7.....3;1-2-3;2- |
11820 | 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 2d 31 2d 31 | 2-3;2-1-15;..8.....3;1-2-3;1-1-1 |
11840 | 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 2d 33 3b 32 | 5;2-2-3;2-1-15;..9.....3;1-2-3;2 |
11860 | 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 10 00 00 00 31 35 3b 31 | -2-3;2-1-15;2-1-28;..10.....15;1 |
11880 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 | -1-3;2-2-3;....dataset_ids...... |
118a0 | 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 | 0.V..4+r.5o....1.V..:+r.5o....2. |
118c0 | 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba | V..;+r.5o....3.V..;+r.5o....4.V. |
118e0 | 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3e | .<+r.5o....5.V..=+r.5o....6.V..> |
11900 | 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 38 00 56 ba 0c 40 2b 72 | +r.5o....7.V..?+r.5o....8.V..@+r |
11920 | ed 35 6f 00 01 ce 07 39 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 30 00 56 ba 0c 42 2b 72 ed | .5o....9.V..A+r.5o....10.V..B+r. |
11940 | 35 6f 00 01 d2 07 31 31 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 07 31 32 00 56 ba 0c 43 2b 72 ed | 5o....11.V..C+r.5o....12.V..C+r. |
11960 | 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 | 5o.....features.:....56ba0c342b7 |
11980 | 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 ad e9 36 a5 c0 5b 9a 3f 01 31 00 | 2ed356f000000......0...6..[.?.1. |
119a0 | 6a 33 19 ac e8 74 9b 3f 00 00 02 73 6d 69 6c 65 73 00 1c 00 00 00 4f 3d 43 28 4e 28 43 29 43 29 | j3...t.?...smiles.....O=C(N(C)C) |
119c0 | 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 01 e9 | Nc1ccc(c(c1)Cl)Cl..updated_at... |
119e0 | bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 72 ae bf c6 52 01 00 00 10 64 65 66 61 75 | ..R....created_at.r...R....defau |
11a00 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0b 00 00 00 02 69 6e 63 68 69 00 4f | lt_fingerprint_size......inchi.O |
11a20 | 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 28 32 29 | ...InChI=1S/C9H10Cl2N2O/c1-13(2) |
11a40 | 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 33 2d 35 | 9(14)12-6-3-4-7(10)8(11)5-6/h3-5 |
11a60 | 48 2c 31 2d 32 48 33 2c 28 48 2c 31 32 2c 31 34 29 00 00 db 02 00 00 07 5f 69 64 00 56 ba 0c 34 | H,1-2H3,(H,12,14)......._id.V..4 |
11a80 | 2b 72 ed 35 6f 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 | +r.5o..X.warnings.......fingerpr |
11aa0 | 69 6e 74 73 00 d2 00 00 00 04 4d 50 32 44 00 c7 00 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 | ints......MP2D......0.....15;1-1 |
11ac0 | 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 35 3b | -1;2-1-1;..1.....1;1-1-1;1-1-15; |
11ae0 | 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 3b 32 2d | 2-1-12;..2.#...1;1-1-1;1-1-12;2- |
11b00 | 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 2d 31 2d | 2-8;2-1-9;2-1-15;..3.....12;1-1- |
11b20 | 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 3b 31 2d | 1;1-2-8;1-1-9;2-1-1;..4.....9;1- |
11b40 | 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 31 2d 31 | 1-12;2-1-1;2-2-8;..5.....8;1-1-1 |
11b60 | 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 00 00 04 64 61 74 61 73 65 74 5f | 2;2-1-1;2-1-8;2-1-9;....dataset_ |
11b80 | 69 64 73 00 db 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 | ids......0.V..4+r.5o....1.V..:+r |
11ba0 | ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 | .5o....2.V..;+r.5o....3.V..<+r.5 |
11bc0 | 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 | o....4.V..<+r.5o....5.V..=+r.5o. |
11be0 | 01 c8 07 36 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb | ...6.V..>+r.5o....7.V..?+r.5o... |
11c00 | 07 38 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 | .8.V..?+r.5o....9.V..@+r.5o....1 |
11c20 | 30 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 31 31 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 | 0.V..A+r.5o....11.V..A+r.5o....1 |
11c40 | 32 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 33 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 | 2.V..B+r.5o....13.V..C+r.5o..... |
11c60 | 66 65 61 74 75 72 65 73 00 45 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 | features.E....56ba0c342b72ed356f |
11c80 | 30 30 30 30 30 30 00 26 00 00 00 01 30 00 1c ba 53 65 14 9c f0 3f 01 31 00 12 5e 14 d4 6c b1 08 | 000000.&....0...Se...?.1..^..l.. |
11ca0 | 40 01 32 00 1a 69 75 77 a9 42 b5 3f 00 00 02 73 6d 69 6c 65 73 00 0e 00 00 00 43 6c 43 43 50 28 | @.2..iuw.B.?...smiles.....ClCCP( |
11cc0 | 3d 4f 29 28 4f 29 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 2a ea bf c6 52 01 00 00 09 63 72 65 | =O)(O)O..updated_at.*...R....cre |
11ce0 | 61 74 65 64 5f 61 74 00 77 ae bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at.w...R....default_fingerp |
11d00 | 72 69 6e 74 5f 73 69 7a 65 00 06 00 00 00 02 69 6e 63 68 69 00 34 00 00 00 49 6e 43 68 49 3d 31 | rint_size......inchi.4...InChI=1 |
11d20 | 53 2f 43 32 48 36 43 6c 4f 33 50 2f 63 33 2d 31 2d 32 2d 37 28 34 2c 35 29 36 2f 68 31 2d 32 48 | S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H |
11d40 | 32 2c 28 48 32 2c 34 2c 35 2c 36 29 00 00 99 03 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f | 2,(H2,4,5,6)......._id.V..4+r.5o |
11d60 | 00 00 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 6e 74 73 00 | ..Y.warnings.......fingerprints. |
11d80 | b0 01 00 00 04 4d 50 32 44 00 a5 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 |
11da0 | 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 3b 00 | -8;..1.....1;1-1-1;1-1-8;2-1-2;. |
11dc0 | 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 2d 39 | .2.....8;1-1-1;1-1-2;2-2-1;2-1-9 |
11de0 | 3b 00 02 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 | ;..3.!...2;1-1-1;1-1-8;1-1-9;2-2 |
11e00 | 2d 31 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 31 3b 32 | -1;2-1-8;..4.....9;1-1-2;2-1-1;2 |
11e20 | 2d 31 2d 38 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 31 2d 38 | -1-8;..5.-...1;1-1-1;1-1-2;1-1-8 |
11e40 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 36 00 1b 00 00 | ;2-2-1;2-1-3;2-2-8;2-1-9;..6.... |
11e60 | 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 33 3b 00 02 37 00 2d | .8;1-2-1;2-3-1;2-1-2;2-1-3;..7.- |
11e80 | 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 31 | ...1;1-2-1;1-1-3;1-1-8;2-1-1;2-1 |
11ea0 | 2d 32 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 31 3b 32 | -2;2-2-3;2-1-8;..8.....1;1-1-1;2 |
11ec0 | 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 21 00 00 00 33 3b 31 2d 31 2d 31 | -1-1;2-1-3;2-1-8;..9.!...3;1-1-1 |
11ee0 | 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 00 02 31 30 00 15 00 | ;1-2-3;2-2-1;2-2-3;2-1-8;..10... |
11f00 | 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 0f 00 00 00 33 | ..3;1-2-3;2-1-1;2-2-3;..11.....3 |
11f20 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 | ;1-2-3;2-2-3;....dataset_ids.... |
11f40 | 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 | ..0.V..4+r.5o....1.V..:+r.5o.... |
11f60 | 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 | 2.V..;+r.5o....3.V..<+r.5o....4. |
11f80 | 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba | V..=+r.5o....5.V..>+r.5o....6.V. |
11fa0 | 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 00 56 ba 0c 41 | .?+r.5o....7.V..@+r.5o....8.V..A |
11fc0 | 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b | +r.5o....9.V..B+r.5o....10.V..C+ |
11fe0 | 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 | r.5o.....features./....56ba0c342 |
12000 | 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 3d c7 79 4d 33 27 eb 3f 00 | b72ed356f000000......0.=.yM3'.?. |
12020 | 00 02 73 6d 69 6c 65 73 00 19 00 00 00 43 43 4f 43 28 3d 4f 29 43 31 4f 43 31 28 43 29 63 31 63 | ..smiles.....CCOC(=O)C1OC1(C)c1c |
12040 | 63 63 63 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 f2 e9 bf c6 52 01 00 00 09 63 72 65 61 74 | cccc1..updated_at.....R....creat |
12060 | 65 64 5f 61 74 00 7d ae bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at.}...R....default_fingerpri |
12080 | 6e 74 5f 73 69 7a 65 00 0c 00 00 00 02 69 6e 63 68 69 00 4f 00 00 00 49 6e 43 68 49 3d 31 53 2f | nt_size......inchi.O...InChI=1S/ |
120a0 | 43 31 32 48 31 34 4f 33 2f 63 31 2d 33 2d 31 34 2d 31 31 28 31 33 29 31 30 2d 31 32 28 32 2c 31 | C12H14O3/c1-3-14-11(13)10-12(2,1 |
120c0 | 35 2d 31 30 29 39 2d 37 2d 35 2d 34 2d 36 2d 38 2d 39 2f 68 34 2d 38 2c 31 30 48 2c 33 48 32 2c | 5-10)9-7-5-4-6-8-9/h4-8,10H,3H2, |
120e0 | 31 2d 32 48 33 00 00 62 04 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 5a 04 77 61 72 | 1-2H3..b...._id.V..4+r.5o..Z.war |
12100 | 6e 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 02 00 00 04 4d 50 | nings.......fingerprints.K....MP |
12120 | 32 44 00 40 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. |
12140 | 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 00 | ....8;1-1-1;1-1-2;2-1-9;2-1-28;. |
12160 | 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- |
12180 | 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- |
121a0 | 31 2d 32 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 | 1-28;..4.#...28;1-1-2;1-1-3;2-1- |
121c0 | 38 3b 32 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 | 8;2-1-9;2-2-11;..5.$...3;1-2-11; |
121e0 | 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 36 00 1e 00 | 1-1-28;2-1-2;2-2-3;2-1-13;..6... |
12200 | 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 32 38 3b 00 | ..11;1-2-3;2-2-3;2-1-11;2-1-28;. |
12220 | 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 33 3b 32 2d 31 2d | .7.....3;1-2-3;1-1-11;2-3-3;2-1- |
12240 | 31 31 3b 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 | 11;..8.$...3;1-2-3;1-1-11;2-3-3; |
12260 | 32 2d 31 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 | 2-1-11;2-1-13;..9.%...11;1-2-3;1 |
12280 | 2d 31 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 30 00 11 | -1-13;2-2-3;2-1-11;2-1-28;..10.. |
122a0 | 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 1d 00 00 00 33 3b 31 2d | ...13;1-1-11;2-2-3;..11.....3;1- |
122c0 | 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 31 32 00 16 00 00 | 2-3;2-2-3;2-1-10;2-1-11;..12.... |
122e0 | 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 33 2d 33 3b 00 02 31 33 00 16 00 00 00 33 | .3;1-2-3;1-1-10;2-3-3;..13.....3 |
12300 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 34 00 16 00 00 00 33 3b 31 | ;1-2-3;2-2-3;2-1-10;..14.....3;1 |
12320 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 35 00 10 00 00 00 31 30 3b 31 2d | -2-3;2-2-3;2-1-11;..15.....10;1- |
12340 | 32 2d 33 3b 32 2d 34 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;2-4-3;..16.....3;1-2-3;2-2-3 |
12360 | 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 | ;....dataset_ids......0.V..4+r.5 |
12380 | 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 | o....1.V..9+r.5o....2.V..;+r.5o. |
123a0 | 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 | ...3.V..<+r.5o....4.V..=+r.5o... |
123c0 | 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 | .5.V..>+r.5o....6.V..?+r.5o....7 |
123e0 | 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 | .V..@+r.5o....8.V..A+r.5o....9.V |
12400 | ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 | ..B+r.5o....10.V..C+r.5o.....fea |
12420 | 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 | tures./....56ba0c342b72ed356f000 |
12440 | 30 30 30 00 10 00 00 00 01 30 00 de bc a7 ec e1 a7 a9 3f 00 00 02 73 6d 69 6c 65 73 00 26 00 00 | 000......0........?...smiles.&.. |
12460 | 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 |
12480 | 63 63 63 63 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 5b e8 bf c6 52 01 00 00 09 63 72 65 61 | ccccc1..updated_at.[...R....crea |
124a0 | 74 65 64 5f 61 74 00 83 ae bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at.....R....default_fingerpr |
124c0 | 69 6e 74 5f 73 69 7a 65 00 11 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 |
124e0 | 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 |
12500 | 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- |
12520 | 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 |
12540 | 2c 31 38 2c 31 39 29 00 00 d8 03 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 5b 04 77 | ,18,19)......._id.V..4+r.5o..[.w |
12560 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 98 01 00 00 04 | arnings.......fingerprints...... |
12580 | 4d 50 32 44 00 8d 01 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;. |
125a0 | 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. |
125c0 | 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;. |
125e0 | 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 |
12600 | 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..... |
12620 | 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- |
12640 | 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; |
12660 | 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- |
12680 | 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;. |
126a0 | 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 |
126c0 | 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 |
126e0 | 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 31 33 00 0f 00 | .....3;1-2-3;1-1-9;2-4-3;..13... |
12700 | 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 | ..9;1-1-3;2-2-3;....dataset_ids. |
12720 | cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 | .....0.V..4+r.5o....1.V..:+r.5o. |
12740 | 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 | ...2.V..;+r.5o....3.V..<+r.5o... |
12760 | 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 | .4.V..=+r.5o....5.V..>+r.5o....6 |
12780 | 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 00 56 | .V..?+r.5o....7.V..@+r.5o....8.V |
127a0 | ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 39 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 30 00 56 ba | ..@+r.5o....9.V..A+r.5o....10.V. |
127c0 | 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba | .B+r.5o....11.V..B+r.5o....12.V. |
127e0 | 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 | .C+r.5o.....features.:....56ba0c |
12800 | 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 d1 17 29 03 2a 6f | 342b72ed356f000000......0...).*o |
12820 | b3 3f 01 31 00 c3 6b b5 9d b6 43 b9 3f 00 00 02 73 6d 69 6c 65 73 00 2c 00 00 00 43 6e 31 63 63 | .?.1..k...C.?...smiles.,...Cn1cc |
12840 | 28 63 32 63 63 63 63 28 63 32 29 43 28 46 29 28 46 29 46 29 63 28 3d 4f 29 63 28 63 31 29 63 31 | (c2cccc(c2)C(F)(F)F)c(=O)c(c1)c1 |
12860 | 63 63 63 63 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 76 ea bf c6 52 01 00 00 09 63 72 65 61 | ccccc1..updated_at.v...R....crea |
12880 | 74 65 64 5f 61 74 00 89 ae bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at.....R....default_fingerpr |
128a0 | 69 6e 74 5f 73 69 7a 65 00 0e 00 00 00 02 69 6e 63 68 69 00 68 00 00 00 49 6e 43 68 49 3d 31 53 | int_size......inchi.h...InChI=1S |
128c0 | 2f 43 31 39 48 31 34 46 33 4e 4f 2f 63 31 2d 32 33 2d 31 31 2d 31 36 28 31 33 2d 36 2d 33 2d 32 | /C19H14F3NO/c1-23-11-16(13-6-3-2 |
128e0 | 2d 34 2d 37 2d 31 33 29 31 38 28 32 34 29 31 37 28 31 32 2d 32 33 29 31 34 2d 38 2d 35 2d 39 2d | -4-7-13)18(24)17(12-23)14-8-5-9- |
12900 | 31 35 28 31 30 2d 31 34 29 31 39 28 32 30 2c 32 31 29 32 32 2f 68 32 2d 31 32 48 2c 31 48 33 00 | 15(10-14)19(20,21)22/h2-12H,1H3. |
12920 | 00 af 05 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 5c 04 77 61 72 6e 69 6e 67 73 00 | ......_id.V..4+r.5o..\.warnings. |
12940 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 56 03 00 00 04 4d 50 32 44 00 4b 03 00 | ......fingerprints.V....MP2D.K.. |
12960 | 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 00 34 3b | ..0.....7;1-1-4;2-1-1;..1.....4; |
12980 | 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 00 00 00 | 1-1-1;1-1-7;2-1-3;2-1-8;..2.'... |
129a0 | 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 2d 33 3b | 1;1-1-3;1-1-4;1-1-8;2-1-2;2-2-3; |
129c0 | 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 2d 32 2d | 2-1-7;..3.!...3;1-1-1;1-2-3;2-2- |
129e0 | 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 3b 32 2d | 3;2-1-4;2-1-8;..4.....3;1-2-3;2- |
12a00 | 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; |
12a20 | 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 37 00 | ..6.....3;1-2-3;2-2-3;2-1-8;..7. |
12a40 | 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 00 00 00 | ....3;1-2-3;1-1-8;2-3-3;..8..... |
12a60 | 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 0f 00 | 3;1-2-3;2-1-1;2-2-3;2-1-8;..9... |
12a80 | 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 30 00 27 00 00 00 38 3b 31 2d 31 2d 31 | ..8;1-2-3;2-4-3;..10.'...8;1-1-1 |
12aa0 | 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 00 | ;1-1-2;2-1-1;2-1-3;2-1-4;2-1-9;. |
12ac0 | 02 31 31 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 | .11."...2;1-1-1;1-1-8;1-1-9;2-2- |
12ae0 | 31 3b 32 2d 31 2d 31 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 | 1;2-1-19;..12.....9;1-1-2;2-1-1; |
12b00 | 32 2d 31 2d 38 3b 00 02 31 33 00 2e 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 | 2-1-8;..13.....1;1-1-1;1-1-2;1-1 |
12b20 | 2d 31 39 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 00 02 31 34 | -19;2-2-1;2-1-3;2-1-8;2-1-9;..14 |
12b40 | 00 16 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 31 35 00 0f | .....1;1-3-1;2-1-2;2-1-19;..15.. |
12b60 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 36 00 22 00 00 00 31 39 3b 31 2d 31 | ...1;1-1-1;2-2-1;..16."...19;1-1 |
12b80 | 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 02 31 37 00 | -1;1-1-3;2-1-1;2-1-2;2-2-3;..17. |
12ba0 | 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 33 3b 32 | #...3;1-2-3;1-1-19;2-1-1;2-2-3;2 |
12bc0 | 2d 31 2d 31 35 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 | -1-15;..18.....3;1-2-3;2-2-3;2-1 |
12be0 | 2d 31 39 3b 00 02 31 39 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -19;..19.....3;1-1-1;1-2-3;2-2-3 |
12c00 | 3b 32 2d 33 2d 31 36 3b 00 02 32 30 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 | ;2-3-16;..20.....3;1-2-3;2-1-1;2 |
12c20 | 2d 32 2d 33 3b 32 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 | -2-3;2-1-15;..21.....3;1-2-3;1-1 |
12c40 | 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 32 32 00 10 00 00 00 31 35 3b 31 2d 31 | -15;2-2-3;2-1-19;..22.....15;1-1 |
12c60 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 33 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 | -3;2-2-3;..23.....1;1-1-3;1-3-16 |
12c80 | 3b 32 2d 32 2d 33 3b 00 02 32 34 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 | ;2-2-3;..24.....16;1-1-1;2-1-3;2 |
12ca0 | 2d 32 2d 31 36 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c | -2-16;....dataset_ids......0.V.. |
12cc0 | 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b | 4+r.5o....1.V..:+r.5o....2.V..;+ |
12ce0 | 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed | r.5o....3.V..<+r.5o....4.V..=+r. |
12d00 | 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f | 5o....5.V..>+r.5o....6.V..?+r.5o |
12d20 | 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 | ....7.V..@+r.5o....8.V..A+r.5o.. |
12d40 | d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 | ..9.V..B+r.5o....10.V..C+r.5o... |
12d60 | 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 | ..features./....56ba0c342b72ed35 |
12d80 | 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 61 53 d1 de 83 5c 74 3f 00 00 02 73 6d 69 6c 65 | 6f000000......0.aS...\t?...smile |
12da0 | 73 00 3d 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 |
12dc0 | 43 28 3d 4f 29 43 28 43 28 43 29 43 29 4e 63 31 63 63 63 28 63 63 31 43 6c 29 43 28 46 29 28 46 | C(=O)C(C(C)C)Nc1ccc(cc1Cl)C(F)(F |
12de0 | 29 46 00 09 75 70 64 61 74 65 64 5f 61 74 00 73 e6 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f | )F..updated_at.s...R....created_ |
12e00 | 61 74 00 90 ae bf c6 52 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.....R....default_fingerprint_ |
12e20 | 73 69 7a 65 00 19 00 00 00 02 69 6e 63 68 69 00 9b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 36 | size......inchi.....InChI=1S/C26 |
12e40 | 48 32 32 43 6c 46 33 4e 32 4f 33 2f 63 31 2d 31 36 28 32 29 32 34 28 33 32 2d 32 32 2d 31 32 2d | H22ClF3N2O3/c1-16(2)24(32-22-12- |
12e60 | 31 31 2d 31 38 28 31 34 2d 32 31 28 32 32 29 32 37 29 32 36 28 32 38 2c 32 39 29 33 30 29 32 35 | 11-18(14-21(22)27)26(28,29)30)25 |
12e80 | 28 33 33 29 33 35 2d 32 33 28 31 35 2d 33 31 29 31 37 2d 37 2d 36 2d 31 30 2d 32 30 28 31 33 2d | (33)35-23(15-31)17-7-6-10-20(13- |
12ea0 | 31 37 29 33 34 2d 31 39 2d 38 2d 34 2d 33 2d 35 2d 39 2d 31 39 2f 68 33 2d 31 34 2c 31 36 2c 32 | 17)34-19-8-4-3-5-9-19/h3-14,16,2 |
12ec0 | 33 2d 32 34 2c 33 32 48 2c 31 2d 32 48 33 00 00 9c 03 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed | 3-24,32H,1-2H3......._id.V..4+r. |
12ee0 | 35 6f 00 00 5d 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | 5o..].warnings.......fingerprint |
12f00 | 73 00 8f 01 00 00 04 4d 50 32 44 00 84 01 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 |
12f20 | 2d 31 2d 31 32 3b 00 02 31 00 24 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 | -1-12;..1.$...1;1-1-1;1-1-12;2-1 |
12f40 | 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 32 00 2a 00 00 00 31 32 3b 31 2d 31 2d | -8;2-1-10;2-1-18;..2.*...12;1-1- |
12f60 | 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d | 1;1-1-8;1-1-10;1-1-18;2-2-1;2-1- |
12f80 | 33 3b 00 02 33 00 1e 00 00 00 31 38 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b | 3;..3.....18;1-1-12;2-1-1;2-1-8; |
12fa0 | 32 2d 31 2d 31 30 3b 00 02 34 00 2a 00 00 00 31 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 32 3b 32 | 2-1-10;..4.*...10;1-1-3;1-1-12;2 |
12fc0 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 35 00 1d 00 00 00 | -1-1;2-2-3;2-1-8;2-1-18;..5..... |
12fe0 | 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 31 32 3b 00 02 36 00 | 3;1-2-3;1-1-10;2-2-3;2-1-12;..6. |
13000 | 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 37 00 0f 00 00 | ....3;1-2-3;2-2-3;2-1-10;..7.... |
13020 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 24 00 00 00 38 3b 31 2d 31 2d 31 3b 31 | .3;1-2-3;2-2-3;..8.$...8;1-1-1;1 |
13040 | 2d 31 2d 31 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 39 00 16 00 | -1-12;2-2-1;2-1-10;2-1-18;..9... |
13060 | 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 30 00 0f 00 00 00 | ..1;1-1-1;1-1-8;2-1-12;..10..... |
13080 | 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 | 1;1-1-1;2-1-8;....dataset_ids... |
130a0 | 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 | ...0.V..4+r.5o....1.V..:+r.5o... |
130c0 | 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 | .2.V..;+r.5o....3.V..<+r.5o....4 |
130e0 | 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 | .V..<+r.5o....5.V..=+r.5o....6.V |
13100 | ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 38 00 56 ba 0c | ..>+r.5o....7.V..?+r.5o....8.V.. |
13120 | 3f 2b 72 ed 35 6f 00 01 cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c 41 | ?+r.5o....9.V..@+r.5o....10.V..A |
13140 | 2b 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 | +r.5o....11.V..B+r.5o....12.V..C |
13160 | 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 | +r.5o.....features.:....56ba0c34 |
13180 | 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 4f 21 e5 19 c1 45 7a 3f | 2b72ed356f000000......0.O!...Ez? |
131a0 | 01 31 00 8b 59 1b 16 02 c9 94 3f 00 00 02 73 6d 69 6c 65 73 00 16 00 00 00 43 43 50 28 3d 53 29 | .1..Y.....?...smiles.....CCP(=S) |
131c0 | 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 9c e9 bf c6 52 | (Sc1ccccc1)OCC..updated_at.....R |
131e0 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 95 ae bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.....R....default_ |
13200 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0b 00 00 00 02 69 6e 63 68 69 00 4b 00 00 00 | fingerprint_size......inchi.K... |
13220 | 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 31 | InChI=1S/C10H15OPS2/c1-3-11-12(1 |
13240 | 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 33 | 3,4-2)14-10-8-6-5-7-9-10/h5-9H,3 |
13260 | 2d 34 48 32 2c 31 2d 32 48 33 00 00 96 05 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 | -4H2,1-2H3......._id.V..4+r.5o.. |
13280 | 5e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 67 03 | ^.warnings.......fingerprints.g. |
132a0 | 00 00 04 4d 50 32 44 00 5c 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 |
132c0 | 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 02 | ;..1.....8;1-1-1;1-1-3;2-2-11;.. |
132e0 | 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 33 | 2.....3;1-1-8;1-2-11;2-1-1;2-2-3 |
13300 | 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 32 | ;..3.....11;1-2-3;2-1-8;2-2-11;2 |
13320 | 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 2d | -1-28;..4.....3;1-2-11;1-1-28;2- |
13340 | 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 31 | 1-2;2-2-3;..5.....11;1-2-3;2-1-1 |
13360 | 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 31 | ;2-2-11;2-1-28;..6.....3;1-1-1;1 |
13380 | 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 31 | -2-11;2-2-3;..7.....11;1-2-3;2-1 |
133a0 | 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 3b | -1;2-1-8;2-2-11;..8.....1;1-1-3; |
133c0 | 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 2d | 2-2-11;..9.$...28;1-1-2;1-1-3;2- |
133e0 | 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 31 | 1-9;2-2-11;2-1-28;..10.....2;1-1 |
13400 | 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 00 | -9;1-2-28;2-1-3;2-1-30;..11..... |
13420 | 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 32 | 9;1-1-2;2-2-28;..12.$...28;1-1-2 |
13440 | 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 00 | ;1-1-30;2-1-3;2-3-9;2-1-28;..13. |
13460 | 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 3b | #...30;1-1-3;1-2-9;1-1-28;2-1-2; |
13480 | 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 2d | 2-2-3;..14.....9;1-1-30;2-1-3;2- |
134a0 | 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 35 00 30 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 1-9;2-1-28;..15.0...3;1-2-3;1-1- |
134c0 | 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 38 3b 32 2d 31 2d | 30;2-1-2;2-1-3;2-2-9;2-1-18;2-1- |
134e0 | 32 38 3b 00 02 31 36 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 38 | 28;..16.....3;1-2-3;2-1-3;2-1-18 |
13500 | 3b 32 2d 31 2d 33 30 3b 00 02 31 37 00 16 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 38 3b | ;2-1-30;..17.....3;1-1-3;1-1-18; |
13520 | 32 2d 32 2d 33 3b 00 02 31 38 00 16 00 00 00 31 38 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d | 2-2-3;..18.....18;1-2-3;2-1-2;2- |
13540 | 32 2d 33 3b 00 02 31 39 00 2f 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 | 2-3;..19./...3;1-1-2;1-1-3;1-1-1 |
13560 | 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 3b 00 02 32 30 00 | 8;2-2-3;2-1-8;2-1-9;2-1-30;..20. |
13580 | 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 31 2d 31 3b 32 2d | (...2;1-1-3;1-1-8;1-1-9;2-1-1;2- |
135a0 | 31 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 32 31 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d | 1-3;2-1-18;..21.....9;1-1-2;2-1- |
135c0 | 33 3b 32 2d 31 2d 38 3b 00 02 32 32 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 | 3;2-1-8;..22.....8;1-1-1;1-1-2;2 |
135e0 | 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 33 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d | -1-3;2-1-9;..23.....1;1-1-8;2-1- |
13600 | 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed | 2;....dataset_ids......0.V..4+r. |
13620 | 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f | 5o....1.V..:+r.5o....2.V..;+r.5o |
13640 | 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 | ....3.V..<+r.5o....4.V..=+r.5o.. |
13660 | c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 | ..5.V..>+r.5o....6.V..?+r.5o.... |
13680 | 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 39 00 | 7.V..@+r.5o....8.V..A+r.5o....9. |
136a0 | 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 | V..B+r.5o....10.V..C+r.5o.....fe |
136c0 | 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 | atures./....56ba0c342b72ed356f00 |
136e0 | 30 30 30 30 00 10 00 00 00 01 30 00 ee 47 2f 22 50 85 b0 3f 00 00 02 73 6d 69 6c 65 73 00 2e 00 | 0000......0..G/"P..?...smiles... |
13700 | 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 28 3d 4f | ..COc1nc(nc(n1)C)NC(=O)NS(=O)(=O |
13720 | 29 63 31 63 63 73 63 31 43 28 3d 4f 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 08 ea bf c6 | )c1ccsc1C(=O)OC..updated_at..... |
13740 | 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 9c ae bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 | R....created_at.....R....default |
13760 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 18 00 00 00 02 69 6e 63 68 69 00 80 00 00 | _fingerprint_size......inchi.... |
13780 | 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 33 4e 35 4f 36 53 32 2f 63 31 2d 36 2d 31 33 2d 31 | .InChI=1S/C12H13N5O6S2/c1-6-13-1 |
137a0 | 30 28 31 36 2d 31 32 28 31 34 2d 36 29 32 33 2d 33 29 31 35 2d 31 31 28 31 39 29 31 37 2d 32 35 | 0(16-12(14-6)23-3)15-11(19)17-25 |
137c0 | 28 32 30 2c 32 31 29 37 2d 34 2d 35 2d 32 34 2d 38 28 37 29 39 28 31 38 29 32 32 2d 32 2f 68 34 | (20,21)7-4-5-24-8(7)9(18)22-2/h4 |
137e0 | 2d 35 48 2c 31 2d 33 48 33 2c 28 48 32 2c 31 33 2c 31 34 2c 31 35 2c 31 36 2c 31 37 2c 31 39 29 | -5H,1-3H3,(H2,13,14,15,16,17,19) |
13800 | 00 00 8a 02 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 5f 04 77 61 72 6e 69 6e 67 73 | ......._id.V..4+r.5o.._.warnings |
13820 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 4b 00 00 00 04 4d 50 32 44 00 40 00 | .......fingerprints.K....MP2D.@. |
13840 | 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 1d 00 00 00 | ...0.....15;1-1-1;2-2-1;..1..... |
13860 | 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 31 3b 32 2d 32 2d 31 35 3b 00 00 00 04 | 1;1-2-1;1-1-15;2-2-1;2-2-15;.... |
13880 | 64 61 74 61 73 65 74 5f 69 64 73 00 eb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 | dataset_ids......0.V..4+r.5o.... |
138a0 | 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 | 1.V..:+r.5o....2.V..:+r.5o....3. |
138c0 | 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 ba | V..;+r.5o....4.V..<+r.5o....5.V. |
138e0 | 0c 3c 2b 72 ed 35 6f 00 01 c7 07 36 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 37 00 56 ba 0c 3d | .<+r.5o....6.V..=+r.5o....7.V..= |
13900 | 2b 72 ed 35 6f 00 01 c9 07 38 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 39 00 56 ba 0c 3f 2b 72 | +r.5o....8.V..>+r.5o....9.V..?+r |
13920 | ed 35 6f 00 01 cc 07 31 30 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 31 00 56 ba 0c 41 2b 72 | .5o....10.V..@+r.5o....11.V..A+r |
13940 | ed 35 6f 00 01 d0 07 31 32 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 33 00 56 ba 0c 43 2b 72 | .5o....12.V..B+r.5o....13.V..C+r |
13960 | ed 35 6f 00 01 d3 07 31 34 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 | .5o....14.V..C+r.5o.....features |
13980 | 00 5b 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 3c | .[....56ba0c342b72ed356f000000.< |
139a0 | 00 00 00 01 30 00 48 f8 e6 e8 d3 9a 91 3f 01 31 00 b3 c5 b5 13 48 32 90 3f 01 32 00 59 12 02 09 | ....0.H......?.1.....H2.?.2.Y... |
139c0 | 6b 8c 90 3f 01 33 00 a7 f3 d7 a7 ec 2a 9c 3f 01 34 00 a7 f3 d7 a7 ec 2a 8c 3f 00 00 02 73 6d 69 | k..?.3......*.?.4......*.?...smi |
139e0 | 6c 65 73 00 1d 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 | les.....ClC1C(Cl)C(Cl)C(C(C1Cl)C |
13a00 | 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 59 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 | l)Cl..updated_at.Y...R....create |
13a20 | 64 5f 61 74 00 a2 ae bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.....R....default_fingerprin |
13a40 | 74 5f 73 69 7a 65 00 02 00 00 00 02 69 6e 63 68 69 00 35 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.5...InChI=1S/C |
13a60 | 36 48 36 43 6c 36 2f 63 37 2d 31 2d 32 28 38 29 34 28 31 30 29 36 28 31 32 29 35 28 31 31 29 33 | 6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3 |
13a80 | 28 31 29 39 2f 68 31 2d 36 48 00 00 72 02 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 | (1)9/h1-6H..r...._id.V..4+r.5o.. |
13aa0 | 60 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 8f 00 | `.warnings.......fingerprints... |
13ac0 | 00 00 04 4d 50 32 44 00 84 00 00 00 02 30 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d | ...MP2D......0.....9;1-1-19;2-1- |
13ae0 | 39 3b 32 2d 31 2d 31 39 3b 00 02 31 00 17 00 00 00 31 39 3b 31 2d 32 2d 39 3b 31 2d 31 2d 31 39 | 9;2-1-19;..1.....19;1-2-9;1-1-19 |
13b00 | 3b 32 2d 32 2d 31 3b 00 02 32 00 1e 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 39 3b 32 | ;2-2-1;..2.....19;1-2-1;1-1-19;2 |
13b20 | 2d 32 2d 39 3b 32 2d 32 2d 31 39 3b 00 02 33 00 17 00 00 00 31 3b 31 2d 32 2d 31 39 3b 32 2d 32 | -2-9;2-2-19;..3.....1;1-2-19;2-2 |
13b40 | 2d 31 3b 32 2d 32 2d 31 39 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 | -1;2-2-19;....dataset_ids......0 |
13b60 | 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 | .V..4+r.5o....1.V..9+r.5o....2.V |
13b80 | ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c | ..;+r.5o....3.V..<+r.5o....4.V.. |
13ba0 | 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b | =+r.5o....5.V..>+r.5o....6.V..?+ |
13bc0 | 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed | r.5o....7.V..@+r.5o....8.V..A+r. |
13be0 | 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 | 5o....9.V..B+r.5o....10.V..C+r.5 |
13c00 | 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 | o.....features./....56ba0c342b72 |
13c20 | 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 11 11 04 13 43 a9 7b 3f 00 00 02 73 | ed356f000000......0.....C.{?...s |
13c40 | 6d 69 6c 65 73 00 22 00 00 00 4f 3d 4e 28 3d 4f 29 4e 31 43 4e 28 43 4e 28 43 31 29 4e 28 3d 4f | miles."...O=N(=O)N1CN(CN(C1)N(=O |
13c60 | 29 3d 4f 29 4e 28 3d 4f 29 3d 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 4f e8 bf c6 52 01 00 00 | )=O)N(=O)=O..updated_at.O...R... |
13c80 | 09 63 72 65 61 74 65 64 5f 61 74 00 a8 ae bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.....R....default_fin |
13ca0 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 04 00 00 00 02 69 6e 63 68 69 00 40 00 00 00 49 6e 43 | gerprint_size......inchi.@...InC |
13cc0 | 68 49 3d 31 53 2f 43 33 48 36 4e 36 4f 36 2f 63 31 30 2d 37 28 31 31 29 34 2d 31 2d 35 28 38 28 | hI=1S/C3H6N6O6/c10-7(11)4-1-5(8( |
13ce0 | 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 33 48 32 00 00 af 03 | 12)13)3-6(2-4)9(14)15/h1-3H2.... |
13d00 | 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 61 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V..4+r.5o..a.warnings.... |
13d20 | 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 01 00 00 02 30 | ...fingerprints......MP2D......0 |
13d40 | 00 10 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 00 1c 00 00 00 33 3b 31 2d | .....9;1-1-3;2-2-11;..1.....3;1- |
13d60 | 31 2d 39 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 00 1e 00 00 00 31 | 1-9;1-2-11;2-1-1;2-2-3;..2.....1 |
13d80 | 31 3b 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 33 00 | 1;1-2-3;2-1-9;2-2-11;2-1-19;..3. |
13da0 | 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 33 2d 31 3b 32 2d 32 2d 33 3b | ....3;1-2-11;1-1-19;2-3-1;2-2-3; |
13dc0 | 00 02 34 00 17 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 | ..4.....19;1-2-1;1-1-3;2-2-11;.. |
13de0 | 35 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 36 00 24 | 5.....1;1-1-19;2-1-1;2-1-3;..6.$ |
13e00 | 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 31 3b 32 | ...11;1-1-1;1-2-3;2-1-9;2-2-11;2 |
13e20 | 2d 31 2d 31 39 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 31 2d 39 3b 31 2d 32 2d 31 31 3b 32 2d 32 | -1-19;..7.....3;1-1-9;1-2-11;2-2 |
13e40 | 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 00 23 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b | -1;2-2-3;..8.#...11;1-1-1;1-2-3; |
13e60 | 32 2d 32 2d 31 3b 32 2d 32 2d 39 3b 32 2d 32 2d 31 31 3b 00 02 39 00 1c 00 00 00 31 3b 31 2d 32 | 2-2-1;2-2-9;2-2-11;..9.....1;1-2 |
13e80 | 2d 31 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 16 00 00 00 31 | -1;1-1-11;2-2-1;2-2-3;..10.....1 |
13ea0 | 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 0f 00 00 00 31 3b 31 | ;1-2-1;2-2-1;2-1-11;..11.....1;1 |
13ec0 | 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 32 00 10 00 00 00 31 3b 31 2d 31 2d 31 31 3b 32 2d 32 | -2-1;2-2-1;..12.....1;1-1-11;2-2 |
13ee0 | 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 | -3;....dataset_ids......0.V..4+r |
13f00 | ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 | .5o....1.V..:+r.5o....2.V..;+r.5 |
13f20 | 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 | o....3.V..<+r.5o....4.V..=+r.5o. |
13f40 | 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb | ...5.V..>+r.5o....6.V..?+r.5o... |
13f60 | 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 | .7.V..@+r.5o....8.V..A+r.5o....9 |
13f80 | 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 | .V..B+r.5o....10.V..C+r.5o.....f |
13fa0 | 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 | eatures./....56ba0c342b72ed356f0 |
13fc0 | 30 30 30 30 30 00 10 00 00 00 01 30 00 84 de dc ee 86 5d c9 3f 00 00 02 73 6d 69 6c 65 73 00 21 | 00000......0......].?...smiles.! |
13fe0 | 00 00 00 4f 3d 63 31 6e 63 28 4e 28 43 29 43 29 6e 28 63 28 3d 4f 29 6e 31 43 31 43 43 43 43 43 | ...O=c1nc(N(C)C)n(c(=O)n1C1CCCCC |
14000 | 31 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 c8 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 | 1)C..updated_at.....R....created |
14020 | 5f 61 74 00 ae ae bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at.....R....default_fingerprint |
14040 | 5f 73 69 7a 65 00 0d 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 | _size......inchi.W...InChI=1S/C1 |
14060 | 32 48 32 30 4e 34 4f 32 2f 63 31 2d 31 34 28 32 29 31 30 2d 31 33 2d 31 31 28 31 37 29 31 36 28 | 2H20N4O2/c1-14(2)10-13-11(17)16( |
14080 | 31 32 28 31 38 29 31 35 28 31 30 29 33 29 39 2d 37 2d 35 2d 34 2d 36 2d 38 2d 39 2f 68 39 48 2c | 12(18)15(10)3)9-7-5-4-6-8-9/h9H, |
140a0 | 34 2d 38 48 32 2c 31 2d 33 48 33 00 00 e9 02 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 | 4-8H2,1-3H3......._id.V..4+r.5o. |
140c0 | 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 72 69 6e 74 73 00 22 | .b.warnings.......fingerprints." |
140e0 | 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 33 3b 32 2d 32 2d | ....MP2D......0.....8;1-1-3;2-2- |
14100 | 33 3b 00 02 31 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 | 3;..1.....3;1-2-3;1-1-8;2-2-3;2- |
14120 | 31 2d 31 31 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 | 1-11;..2.....3;1-2-3;2-2-3;2-1-8 |
14140 | 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 33 | ;..3.....3;1-2-3;2-2-3;..4.....3 |
14160 | 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 33 2d 33 3b 32 2d 33 | ;1-2-3;2-3-3;..5.....3;1-3-3;2-3 |
14180 | 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 31 2d 31 2d 31 31 | -3;2-1-11;..6.....3;1-2-3;1-1-11 |
141a0 | 3b 32 2d 34 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 10 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d | ;2-4-3;2-1-8;..7.....11;1-2-3;2- |
141c0 | 33 2d 33 3b 00 02 38 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 | 3-3;..8.....3;1-1-3;1-1-11;2-2-3 |
141e0 | 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 00 00 | ;..9.....3;1-2-3;2-1-3;2-1-11;.. |
14200 | 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 | ..dataset_ids......0.V..4+r.5o.. |
14220 | 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 | ..1.V..:+r.5o....2.V..;+r.5o.... |
14240 | 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 | 3.V..<+r.5o....4.V..=+r.5o....5. |
14260 | 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba | V..>+r.5o....6.V..?+r.5o....7.V. |
14280 | 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 39 00 56 ba 0c 42 | .@+r.5o....8.V..A+r.5o....9.V..B |
142a0 | 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 | +r.5o....10.V..C+r.5o.....featur |
142c0 | 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 | es./....56ba0c342b72ed356f000000 |
142e0 | 00 10 00 00 00 01 30 00 44 1a ad d9 36 86 ef 3f 00 00 02 73 6d 69 6c 65 73 00 10 00 00 00 4f 63 | ......0.D...6..?...smiles.....Oc |
14300 | 31 63 63 63 63 32 63 31 6e 63 63 63 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 28 ea bf c6 52 01 | 1cccc2c1nccc2..updated_at.(...R. |
14320 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 b4 ae bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at.....R....default_f |
14340 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0a 00 00 00 02 69 6e 63 68 69 00 36 00 00 00 49 | ingerprint_size......inchi.6...I |
14360 | 6e 43 68 49 3d 31 53 2f 43 39 48 37 4e 4f 2f 63 31 31 2d 38 2d 35 2d 31 2d 33 2d 37 2d 34 2d 32 | nChI=1S/C9H7NO/c11-8-5-1-3-7-4-2 |
14380 | 2d 36 2d 31 30 2d 39 28 37 29 38 2f 68 31 2d 36 2c 31 31 48 00 00 9d 04 00 00 07 5f 69 64 00 56 | -6-10-9(7)8/h1-6,11H......._id.V |
143a0 | ba 0c 34 2b 72 ed 35 6f 00 00 63 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..4+r.5o..c.warnings.......finge |
143c0 | 72 70 72 69 6e 74 73 00 6f 02 00 00 04 4d 50 32 44 00 64 02 00 00 02 30 00 0f 00 00 00 32 3b 31 | rprints.o....MP2D.d....0.....2;1 |
143e0 | 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 |
14400 | 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 |
14420 | 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 00 1b 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 |
14440 | 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 34 00 28 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 | -1-2;2-1-3;..4.(...1;1-1-1;1-1-3 |
14460 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 35 00 28 00 | ;1-1-8;2-1-1;2-2-3;2-1-11;..5.(. |
14480 | 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 31 2d | ..3;1-1-1;1-2-3;2-1-1;2-2-3;2-1- |
144a0 | 38 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 31 2d 31 3b 32 | 8;2-1-15;..6.....3;1-2-3;2-1-1;2 |
144c0 | 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 |
144e0 | 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 2d 32 2d 33 3b 00 | 5;..8.....3;1-2-3;1-1-15;2-2-3;. |
14500 | 02 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 | .9.....3;1-2-3;2-2-3;2-2-15;..10 |
14520 | 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 33 3b | .....3;1-2-3;1-1-15;2-1-1;2-2-3; |
14540 | 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 1c 00 00 | ..11.....15;1-1-3;2-2-3;..12.... |
14560 | 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 38 3b 00 02 31 33 | .1;1-1-1;1-1-11;2-3-3;2-1-8;..13 |
14580 | 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 32 2d 31 2d 33 3b | .#...11;1-1-1;1-2-3;2-1-1;2-1-3; |
145a0 | 32 2d 31 2d 31 31 3b 00 02 31 34 00 16 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 | 2-1-11;..14.....3;1-2-11;2-1-1;2 |
145c0 | 2d 32 2d 33 3b 00 02 31 35 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 | -2-3;..15.....11;1-2-3;2-1-3;2-1 |
145e0 | 2d 31 31 3b 00 02 31 36 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d | -11;..16.....3;1-1-3;1-1-11;2-1- |
14600 | 33 3b 32 2d 31 2d 31 31 3b 00 02 31 37 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 | 3;2-1-11;..17.#...3;1-1-3;1-1-11 |
14620 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f | ;2-1-1;2-1-3;2-1-11;....dataset_ |
14640 | 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 | ids......0.V..4+r.5o....1.V..:+r |
14660 | ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3b 2b 72 ed 35 | .5o....2.V..:+r.5o....3.V..;+r.5 |
14680 | 6f 00 01 c4 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 | o....4.V..<+r.5o....5.V..=+r.5o. |
146a0 | 01 c8 07 36 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 37 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca | ...6.V..=+r.5o....7.V..>+r.5o... |
146c0 | 07 38 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 | .8.V..?+r.5o....9.V..@+r.5o....1 |
146e0 | 30 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 | 0.V..A+r.5o....11.V..B+r.5o....1 |
14700 | 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 | 2.V..C+r.5o.....features.:....56 |
14720 | 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 00 55 | ba0c342b72ed356f000000......0..U |
14740 | a3 77 87 3a c1 3f 01 31 00 80 ff 74 33 cb d7 a9 3f 00 00 02 73 6d 69 6c 65 73 00 1f 00 00 00 43 | .w.:.?.1...t3...?...smiles.....C |
14760 | 3d 43 43 4f 43 28 63 31 63 63 63 28 63 63 31 43 6c 29 43 6c 29 43 6e 31 63 6e 63 63 31 00 09 75 | =CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1..u |
14780 | 70 64 61 74 65 64 5f 61 74 00 74 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ba ae | pdated_at.t...R....created_at... |
147a0 | bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | ..R....default_fingerprint_size. |
147c0 | 12 00 00 00 02 69 6e 63 68 69 00 63 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 34 43 6c | .....inchi.c...InChI=1S/C14H14Cl |
147e0 | 32 4e 32 4f 2f 63 31 2d 32 2d 37 2d 31 39 2d 31 34 28 39 2d 31 38 2d 36 2d 35 2d 31 37 2d 31 30 | 2N2O/c1-2-7-19-14(9-18-6-5-17-10 |
14800 | 2d 31 38 29 31 32 2d 34 2d 33 2d 31 31 28 31 35 29 38 2d 31 33 28 31 32 29 31 36 2f 68 32 2d 36 | -18)12-4-3-11(15)8-13(12)16/h2-6 |
14820 | 2c 38 2c 31 30 2c 31 34 48 2c 31 2c 37 2c 39 48 32 00 00 9d 04 00 00 07 5f 69 64 00 56 ba 0c 34 | ,8,10,14H,1,7,9H2......._id.V..4 |
14840 | 2b 72 ed 35 6f 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 | +r.5o..d.warnings.......fingerpr |
14860 | 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 00 31 3b 31 2d 31 2d | ints.}....MP2D.r....0.....1;1-1- |
14880 | 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 32 2d 31 3b 32 2d | 1;2-1-1;..1.....1;1-2-1;2-2-1;2- |
148a0 | 31 2d 33 3b 00 02 32 00 22 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 3b | 1-3;..2."...1;1-3-1;1-1-3;2-2-1; |
148c0 | 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 33 00 28 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-1-3;2-1-11;..3.(...3;1-1-1;1-1 |
148e0 | 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 34 00 | -3;1-1-11;2-3-1;2-1-3;2-1-9;..4. |
14900 | 1c 00 00 00 31 31 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 | ....11;1-1-3;1-1-9;2-1-1;2-2-3;. |
14920 | 02 35 00 1d 00 00 00 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d | .5.....9;1-1-3;1-1-11;2-2-3;2-1- |
14940 | 32 38 3b 00 02 36 00 29 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b | 28;..6.)...3;1-1-3;1-1-9;1-1-28; |
14960 | 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 37 00 23 00 00 00 33 3b 31 2d 32 | 2-1-2;2-1-3;2-1-11;..7.#...3;1-2 |
14980 | 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 32 38 3b 00 02 38 | -3;2-1-1;2-1-9;2-1-11;2-1-28;..8 |
149a0 | 00 1c 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 32 2d 39 3b | .....28;1-1-2;1-1-3;2-2-3;2-2-9; |
149c0 | 00 02 39 00 1c 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 33 | ..9.....2;1-1-3;1-1-9;1-1-28;2-3 |
149e0 | 2d 33 3b 00 02 31 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 | -3;..10.....9;1-1-2;2-1-3;2-1-28 |
14a00 | 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 33 3b 32 2d | ;..11.(...3;1-1-2;1-2-3;2-2-3;2- |
14a20 | 32 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 21 00 00 00 33 3b 31 2d 32 2d | 2-8;2-1-9;2-1-28;..12.!...3;1-2- |
14a40 | 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 31 33 00 15 | 3;1-1-8;2-1-1;2-1-2;2-2-3;..13.. |
14a60 | 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 34 00 0f 00 00 00 | ...8;1-1-1;1-1-3;2-2-3;..14..... |
14a80 | 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 1;1-1-8;2-1-3;..15.....3;1-2-3;2 |
14aa0 | 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 36 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -2-3;2-1-8;..16.....3;1-2-3;2-2- |
14ac0 | 33 3b 00 02 31 37 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;..17.....1;1-1-1;2-2-1;2-1-3;. |
14ae0 | 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 | ...dataset_ids......0.V..4+r.5o. |
14b00 | 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 | ...1.V..:+r.5o....2.V..;+r.5o... |
14b20 | 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 | .3.V..<+r.5o....4.V..=+r.5o....5 |
14b40 | 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 37 00 56 | .V..>+r.5o....6.V..?+r.5o....7.V |
14b60 | ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c | ..@+r.5o....8.V..A+r.5o....9.V.. |
14b80 | 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 | B+r.5o....10.V..C+r.5o.....featu |
14ba0 | 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 | res./....56ba0c342b72ed356f00000 |
14bc0 | 30 00 10 00 00 00 01 30 00 c3 69 10 54 18 86 c3 3f 00 00 02 73 6d 69 6c 65 73 00 28 00 00 00 43 | 0......0..i.T...?...smiles.(...C |
14be0 | 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 63 63 63 63 31 4f 43 | CC(c1noc(c1)NC(=O)c1c(OC)cccc1OC |
14c00 | 29 28 43 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 c7 e9 bf c6 52 01 00 00 09 63 72 65 61 | )(CC)C..updated_at.....R....crea |
14c20 | 74 65 64 5f 61 74 00 c0 ae bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at.....R....default_fingerpr |
14c40 | 69 6e 74 5f 73 69 7a 65 00 12 00 00 00 02 69 6e 63 68 69 00 77 00 00 00 49 6e 43 68 49 3d 31 53 | int_size......inchi.w...InChI=1S |
14c60 | 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 29 31 34 2d 31 31 2d | /C18H24N2O4/c1-6-18(3,7-2)14-11- |
14c80 | 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 32 28 32 32 2d 34 29 | 15(24-20-14)19-17(21)16-12(22-4) |
14ca0 | 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 36 2d 37 48 32 2c 31 | 9-8-10-13(16)23-5/h8-11H,6-7H2,1 |
14cc0 | 2d 35 48 33 2c 28 48 2c 31 39 2c 32 31 29 00 00 51 05 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed | -5H3,(H,19,21)..Q...._id.V..4+r. |
14ce0 | 35 6f 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 | 5o..e.warnings.......fingerprint |
14d00 | 73 00 14 03 00 00 04 4d 50 32 44 00 09 03 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 |
14d20 | 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 33 3b 32 2d 31 2d 33 | -1-3;..1.....8;1-1-1;1-1-3;2-1-3 |
14d40 | 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 2d 31 2d 38 3b 31 2d | ;2-1-11;..2."...3;1-1-3;1-1-8;1- |
14d60 | 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 31 31 3b 31 2d 32 2d | 1-11;2-1-1;2-2-3;..3.$...11;1-2- |
14d80 | 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 34 00 | 3;2-1-3;2-1-8;2-1-11;2-1-28;..4. |
14da0 | 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b | ....3;1-2-11;1-1-28;2-1-2;2-2-3; |
14dc0 | 00 02 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 38 3b 32 2d 32 2d 31 31 3b 00 02 36 | ..5.....3;1-2-3;2-2-8;2-2-11;..6 |
14de0 | 00 24 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 31 | .$...28;1-1-2;1-1-3;2-1-9;2-2-11 |
14e00 | 3b 32 2d 31 2d 32 38 3b 00 02 37 00 1d 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 32 2d 32 38 3b 32 | ;2-1-28;..7.....2;1-1-9;1-2-28;2 |
14e20 | 2d 31 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 38 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d | -1-3;2-1-30;..8.....9;1-1-2;2-2- |
14e40 | 32 38 3b 00 02 39 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 31 | 28;..9.$...28;1-1-2;1-1-30;2-1-1 |
14e60 | 3b 32 2d 33 2d 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 31 3b | ;2-3-9;2-1-28;..10.#...30;1-1-1; |
14e80 | 31 2d 32 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 31 00 1d 00 | 1-2-9;1-1-28;2-1-2;2-1-3;..11... |
14ea0 | 00 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 32 38 3b 00 02 | ..9;1-1-30;2-1-1;2-1-9;2-1-28;.. |
14ec0 | 31 32 00 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 | 12.#...1;1-1-3;1-1-30;2-2-3;2-2- |
14ee0 | 39 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b | 9;2-1-28;..13."...3;1-1-1;1-2-3; |
14f00 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 34 00 15 00 00 00 33 3b 31 2d | 2-1-2;2-2-3;2-1-30;..14.....3;1- |
14f20 | 32 2d 33 3b 32 2d 31 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 | 2-3;2-1-1;2-2-3;..15.....3;1-2-3 |
14f40 | 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- |
14f60 | 32 2d 33 3b 00 02 31 37 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 | 2-3;..17.'...3;1-1-2;1-2-3;2-1-1 |
14f80 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 38 00 21 00 00 00 32 3b 31 2d | ;2-2-3;2-1-8;2-1-9;..18.!...2;1- |
14fa0 | 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 39 | 1-3;1-1-8;1-1-9;2-1-1;2-2-3;..19 |
14fc0 | 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 30 00 1b 00 | .....9;1-1-2;2-1-3;2-1-8;..20... |
14fe0 | 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 02 32 31 | ..8;1-1-1;1-1-2;2-1-3;2-1-9;..21 |
15000 | 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 | .....1;1-1-8;2-1-2;....dataset_i |
15020 | 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed | ds......0.V..4+r.5o....1.V..:+r. |
15040 | 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f | 5o....2.V..;+r.5o....3.V..<+r.5o |
15060 | 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 | ....4.V..=+r.5o....5.V..>+r.5o.. |
15080 | ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 | ..6.V..?+r.5o....7.V..@+r.5o.... |
150a0 | 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 | 8.V..A+r.5o....9.V..B+r.5o....10 |
150c0 | 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 | .V..C+r.5o.....features./....56b |
150e0 | 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 7d 2c e2 | a0c342b72ed356f000000......0.},. |
15100 | 67 ed 17 e8 3f 00 00 02 73 6d 69 6c 65 73 00 31 00 00 00 43 4f 63 31 6e 63 28 6e 63 28 63 31 29 | g...?...smiles.1...COc1nc(nc(c1) |
15120 | 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 28 3d 4f | OC)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O |
15140 | 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 3d ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 | )OC..updated_at.=...R....created |
15160 | 5f 61 74 00 c7 ae bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at.....R....default_fingerprint |
15180 | 5f 73 69 7a 65 00 16 00 00 00 02 69 6e 63 68 69 00 8b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 | _size......inchi.....InChI=1S/C1 |
151a0 | 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 31 38 2d | 6H18N4O7S/c1-25-12-8-13(26-2)18- |
151c0 | 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 29 39 2d | 15(17-12)19-16(22)20-28(23,24)9- |
151e0 | 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 34 2d 38 | 10-6-4-5-7-11(10)14(21)27-3/h4-8 |
15200 | 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 32 29 00 | H,9H2,1-3H3,(H2,17,18,19,20,22). |
15220 | 00 0d 04 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 66 04 77 61 72 6e 69 6e 67 73 00 | ......_id.V..4+r.5o..f.warnings. |
15240 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ea 01 00 00 04 4d 50 32 44 00 df 01 00 | ......fingerprints......MP2D.... |
15260 | 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; |
15280 | 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- |
152a0 | 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 3b 31 2d | 1;1-1-2;2-2-1;2-1-9;..3.....2;1- |
152c0 | 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 3b | 1-1;1-1-8;1-1-9;2-2-1;..4.....9; |
152e0 | 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 31 2d | 1-1-2;2-1-1;2-1-8;..5.(...1;1-1- |
15300 | 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 2d 31 30 | 1;1-1-2;2-1-2;2-1-8;2-1-9;2-1-10 |
15320 | 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 3b 32 2d | ;..6./...1;1-1-1;1-1-2;1-1-10;2- |
15340 | 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 00 00 32 | 1-2;2-1-8;2-1-9;2-1-12;..7."...2 |
15360 | 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 31 30 3b | ;1-1-1;1-1-8;1-1-9;2-2-1;2-1-10; |
15380 | 00 02 38 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 3b 32 2d | ..8.*...10;1-1-1;1-1-12;2-1-1;2- |
153a0 | 31 2d 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 39 00 1e 00 00 00 31 32 3b 31 2d 32 2d | 1-2;2-2-8;2-1-18;..9.....12;1-2- |
153c0 | 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 30 00 18 00 00 00 31 | 8;1-1-10;1-1-18;2-3-1;..10.....1 |
153e0 | 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 31 00 24 00 00 00 38 | 8;1-1-12;2-2-8;2-1-10;..11.$...8 |
15400 | 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 |
15420 | 38 3b 00 02 31 32 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 00 00 04 64 61 | 8;..12.....1;1-1-8;2-1-12;....da |
15440 | 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 | taset_ids......0.V..4+r.5o....1. |
15460 | 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba | V..:+r.5o....2.V..;+r.5o....3.V. |
15480 | 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e | .<+r.5o....4.V..=+r.5o....5.V..> |
154a0 | 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 | +r.5o....6.V..?+r.5o....7.V..@+r |
154c0 | ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 | .5o....8.V..A+r.5o....9.V..B+r.5 |
154e0 | 6f 00 01 d1 07 31 30 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 31 00 56 ba 0c 43 2b 72 ed 35 | o....10.V..B+r.5o....11.V..C+r.5 |
15500 | 6f 00 01 d3 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a | o....12.V..C+r.5o.....features.: |
15520 | 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 | ....56ba0c342b72ed356f000000.... |
15540 | 00 01 30 00 9f dd 25 c9 77 5f c3 3f 01 31 00 dc ad 3b 68 85 6f f1 3f 00 00 02 73 6d 69 6c 65 73 | ..0...%.w_.?.1...;h.o.?...smiles |
15560 | 00 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 | .!...CCOC(=O)CC(C(=O)OCC)SP(=S)( |
15580 | 4f 43 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 78 ea bf c6 52 01 00 00 09 63 72 65 61 74 | OC)OC..updated_at.x...R....creat |
155a0 | 65 64 5f 61 74 00 cc ae bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at.....R....default_fingerpri |
155c0 | 6e 74 5f 73 69 7a 65 00 0d 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/ |
155e0 | 43 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 | C10H19O6PS2/c1-5-15-9(11)7-8(10( |
15600 | 31 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 | 12)16-6-2)19-17(18,13-3)14-4/h8H |
15620 | 2c 35 2d 37 48 32 2c 31 2d 34 48 33 00 00 4e 02 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f | ,5-7H2,1-4H3..N...._id.V..4+r.5o |
15640 | 00 00 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 69 6e 74 73 00 | ..g.warnings.......fingerprints. |
15660 | 8e 00 00 00 04 4d 50 32 44 00 83 00 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 33 31 3b 32 2d | .....MP2D......0.....1;1-1-31;2- |
15680 | 33 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 16 | 3-1;..1.....31;1-4-1;2-2-1;..2.. |
156a0 | 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 02 33 00 16 00 00 00 | ...1;1-1-1;1-1-31;2-4-1;..3..... |
156c0 | 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 31 3b 00 02 34 00 0f 00 00 00 31 3b 31 | 1;1-2-1;2-1-1;2-1-31;..4.....1;1 |
156e0 | 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 | -2-1;2-2-1;....dataset_ids...... |
15700 | 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 | 0.V..4+r.5o....1.V..:+r.5o....2. |
15720 | 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba | V..;+r.5o....3.V..<+r.5o....4.V. |
15740 | 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f | .=+r.5o....5.V..>+r.5o....6.V..? |
15760 | 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 | +r.5o....7.V..@+r.5o....8.V..A+r |
15780 | ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 30 00 56 ba 0c 43 2b 72 ed | .5o....9.V..B+r.5o....10.V..C+r. |
157a0 | 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 | 5o.....features./....56ba0c342b7 |
157c0 | 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 91 46 fe c5 a0 03 f5 3f 00 00 02 | 2ed356f000000......0..F.....?... |
157e0 | 73 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 | smiles.....C[N]1(C)CCCCC1..updat |
15800 | 65 64 5f 61 74 00 79 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d2 ae bf c6 52 01 | ed_at.y...R....created_at.....R. |
15820 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 05 00 00 00 | ...default_fingerprint_size..... |
15840 | 02 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 | .inchi.0...InChI=1S/C7H16N/c1-8( |
15860 | 32 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 c3 02 00 00 | 2)6-4-3-5-7-8/h3-7H2,1-2H3...... |
15880 | 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 68 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V..4+r.5o..h.warnings...... |
158a0 | 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 00 0f | .fingerprints......MP2D......0.. |
158c0 | 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 31 | ...1;1-1-1;2-1-1;..1.....1;1-2-1 |
158e0 | 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 31 | ;2-1-1;..2.....1;1-2-1;2-1-1;2-1 |
15900 | 2d 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 | -10;..3.....1;1-1-1;1-1-10;2-1-1 |
15920 | 3b 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 | ;2-1-12;..4.$...10;1-1-1;1-1-12; |
15940 | 32 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 | 2-1-1;2-1-9;2-2-10;..5.....12;1- |
15960 | 31 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 | 1-9;1-3-10;2-3-1;..6.....9;1-1-1 |
15980 | 32 3b 32 2d 33 2d 31 30 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 | 2;2-3-10;....dataset_ids......0. |
159a0 | 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba | V..4+r.5o....1.V..:+r.5o....2.V. |
159c0 | 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d | .;+r.5o....3.V..<+r.5o....4.V..= |
159e0 | 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 | +r.5o....5.V..>+r.5o....6.V..?+r |
15a00 | ed 35 6f 00 01 cb 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 | .5o....7.V..@+r.5o....8.V..A+r.5 |
15a20 | 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f | o....9.V..B+r.5o....10.V..C+r.5o |
15a40 | 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 | .....features./....56ba0c342b72e |
15a60 | 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 59 1d 25 77 7c 47 70 3f 00 00 02 73 6d | d356f000000......0.Y.%w|Gp?...sm |
15a80 | 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 43 43 43 43 00 | iles.....CCCCSP(=O)(SCCCC)SCCCC. |
15aa0 | 09 75 70 64 61 74 65 64 5f 61 74 00 b2 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at.....R....created_at. |
15ac0 | d8 ae bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | ....R....default_fingerprint_siz |
15ae0 | 65 00 07 00 00 00 02 69 6e 63 68 69 00 4d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 32 37 | e......inchi.M...InChI=1S/C12H27 |
15b00 | 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 31 31 2d 38 2d | OPS3/c1-4-7-10-15-14(13,16-11-8- |
15b20 | 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 48 33 00 00 51 | 5-2)17-12-9-6-3/h4-12H2,1-3H3..Q |
15b40 | 04 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 69 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..4+r.5o..i.warnings... |
15b60 | 00 00 00 03 66 69 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 | ....fingerprints.P....MP2D.E.... |
15b80 | 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- |
15ba0 | 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 2d 31 2d 38 3b | 2-1;2-1-2;..2."...1;1-1-2;1-1-8; |
15bc0 | 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 32 3b 31 2d 31 | 2-1-1;2-1-9;2-1-28;..3.(...2;1-1 |
15be0 | 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 3b 32 2d 31 2d | -1;1-1-9;1-1-28;2-1-1;2-1-3;2-1- |
15c00 | 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 2d 32 38 3b 00 | 8;..4.....9;1-1-2;2-1-1;2-1-28;. |
15c20 | 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 3b 32 2d 32 2d | .5.....28;1-1-1;1-1-2;1-1-3;2-2- |
15c40 | 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 00 33 3b 31 2d | 1;2-1-2;2-2-3;2-1-9;..6."...3;1- |
15c60 | 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 33 3b 00 02 37 | 2-3;1-1-28;2-3-1;2-1-2;2-2-3;..7 |
15c80 | 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 32 38 3b | .....3;1-1-1;1-2-3;2-2-3;2-1-28; |
15ca0 | 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 00 00 00 33 3b | ..8.....1;1-1-3;2-2-3;..9.....3; |
15cc0 | 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 31 2d 32 | 1-2-3;2-1-1;2-2-3;..10.....3;1-2 |
15ce0 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 2e 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | -3;2-2-3;..11.....1;1-1-1;1-1-2; |
15d00 | 31 2d 31 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 | 1-1-28;2-1-2;2-1-3;2-1-8;2-1-9;. |
15d20 | 02 31 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 2d | .12."...2;1-1-1;1-1-8;1-1-9;2-2- |
15d40 | 31 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b | 1;2-1-28;..13.....9;1-1-2;2-1-1; |
15d60 | 32 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 32 3b 32 2d 31 | 2-1-8;..14.....8;1-1-1;1-1-2;2-1 |
15d80 | 2d 31 3b 32 2d 31 2d 39 3b 00 02 31 35 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b | -1;2-1-9;..15.....1;1-1-8;2-1-2; |
15da0 | 00 02 31 36 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 | ..16.....1;1-1-1;2-1-2;2-1-28;.. |
15dc0 | 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 | ..dataset_ids......0.V..4+r.5o.. |
15de0 | 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 | ..1.V..:+r.5o....2.V..;+r.5o.... |
15e00 | 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 | 3.V..<+r.5o....4.V..=+r.5o....5. |
15e20 | 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba | V..>+r.5o....6.V..?+r.5o....7.V. |
15e40 | 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 | .@+r.5o....8.V..A+r.5o....9.V..B |
15e60 | 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 | +r.5o....10.V..C+r.5o.....featur |
15e80 | 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 | es./....56ba0c342b72ed356f000000 |
15ea0 | 00 10 00 00 00 01 30 00 9a 5b 79 10 ca a3 cc 3f 00 00 02 73 6d 69 6c 65 73 00 23 00 00 00 43 4f | ......0..[y....?...smiles.#...CO |
15ec0 | 43 43 28 3d 4f 29 4e 28 63 31 63 28 43 29 63 63 63 63 31 43 29 43 28 43 28 3d 4f 29 4f 43 29 43 | CC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C |
15ee0 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 01 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.....R....created_at |
15f00 | 00 de ae bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | .....R....default_fingerprint_si |
15f20 | 7a 65 00 11 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 35 48 32 | ze......inchi.]...InChI=1S/C15H2 |
15f40 | 31 4e 4f 34 2f 63 31 2d 31 30 2d 37 2d 36 2d 38 2d 31 31 28 32 29 31 34 28 31 30 29 31 36 28 31 | 1NO4/c1-10-7-6-8-11(2)14(10)16(1 |
15f60 | 33 28 31 37 29 39 2d 31 39 2d 34 29 31 32 28 33 29 31 35 28 31 38 29 32 30 2d 35 2f 68 36 2d 38 | 3(17)9-19-4)12(3)15(18)20-5/h6-8 |
15f80 | 2c 31 32 48 2c 39 48 32 2c 31 2d 35 48 33 00 00 83 04 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed | ,12H,9H2,1-5H3......._id.V..4+r. |
15fa0 | 35 6f 00 00 6a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | 5o..j.warnings.......fingerprint |
15fc0 | 73 00 39 02 00 00 04 4d 50 32 44 00 2e 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 | s.9....MP2D......0.....1;1-1-8;2 |
15fe0 | 2d 31 2d 33 3b 00 02 31 00 1d 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 | -1-3;..1.....8;1-1-1;1-1-3;2-1-1 |
16000 | 31 3b 32 2d 31 2d 31 38 3b 00 02 32 00 2a 00 00 00 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 31 3b | 1;2-1-18;..2.*...3;1-1-8;1-1-11; |
16020 | 31 2d 31 2d 31 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 33 00 1d 00 | 1-1-18;2-1-1;2-1-3;2-1-11;..3... |
16040 | 00 00 31 38 3b 31 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 31 3b 00 02 | ..18;1-2-3;2-1-8;2-1-9;2-2-11;.. |
16060 | 34 00 2a 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 | 4.*...3;1-1-9;1-1-11;1-1-18;2-1- |
16080 | 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 35 00 17 00 00 00 39 3b 31 2d 31 2d 33 3b 32 | 1;2-1-3;2-1-11;..5.....9;1-1-3;2 |
160a0 | 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 36 00 31 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d | -1-11;2-1-18;..6.1...11;1-1-1;1- |
160c0 | 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 3b 32 2d | 1-3;1-1-11;2-1-3;2-1-9;2-1-10;2- |
160e0 | 31 2d 31 38 3b 00 02 37 00 2a 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 | 1-18;..7.*...11;1-1-3;1-1-11;2-1 |
16100 | 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 38 00 25 00 00 00 31 3b | -1;2-1-3;2-1-8;2-1-18;..8.%...1; |
16120 | 31 2d 31 2d 31 30 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 | 1-1-10;1-1-11;2-1-3;2-1-11;2-1-1 |
16140 | 32 3b 00 02 39 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 | 2;..9.%...10;1-1-1;1-1-12;2-2-8; |
16160 | 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 31 30 00 1e 00 00 00 31 32 3b 31 2d 32 2d 38 3b | 2-1-11;2-1-18;..10.....12;1-2-8; |
16180 | 31 2d 31 2d 31 30 3b 31 2d 31 2d 31 38 3b 32 2d 33 2d 31 3b 00 02 31 31 00 18 00 00 00 31 38 3b | 1-1-10;1-1-18;2-3-1;..11.....18; |
161a0 | 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 30 3b 00 02 31 32 00 24 00 00 00 38 3b 31 | 1-1-12;2-2-8;2-1-10;..12.$...8;1 |
161c0 | 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 38 3b | -1-1;1-1-12;2-1-8;2-1-10;2-1-18; |
161e0 | 00 02 31 33 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 00 00 04 64 61 74 61 | ..13.....1;1-1-8;2-1-12;....data |
16200 | 73 65 74 5f 69 64 73 00 eb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba | set_ids......0.V..4+r.5o....1.V. |
16220 | 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3b | .:+r.5o....2.V..:+r.5o....3.V..; |
16240 | 2b 72 ed 35 6f 00 01 c4 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 ba 0c 3c 2b 72 | +r.5o....4.V..<+r.5o....5.V..<+r |
16260 | ed 35 6f 00 01 c7 07 36 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 37 00 56 ba 0c 3e 2b 72 ed 35 | .5o....6.V..=+r.5o....7.V..>+r.5 |
16280 | 6f 00 01 ca 07 38 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 | o....8.V..?+r.5o....9.V..@+r.5o. |
162a0 | 01 ce 07 31 30 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 | ...10.V..A+r.5o....11.V..B+r.5o. |
162c0 | 01 d1 07 31 32 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 33 00 56 ba 0c 43 2b 72 ed 35 6f 00 | ...12.V..B+r.5o....13.V..C+r.5o. |
162e0 | 01 d3 07 31 34 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 50 00 00 | ...14.V..C+r.5o.....features.P.. |
16300 | 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 31 00 00 00 01 | ..56ba0c342b72ed356f000000.1.... |
16320 | 30 00 ef d9 4b 32 9a 18 7b 3f 01 31 00 59 ae 3c 28 48 ad 65 3f 01 32 00 36 68 6f 5f 60 ef 70 3f | 0...K2..{?.1.Y.<(H.e?.2.6ho_`.p? |
16340 | 01 33 00 59 ae 3c 28 48 ad 75 3f 00 00 02 73 6d 69 6c 65 73 00 1d 00 00 00 43 4f 63 31 73 63 28 | .3.Y.<(H.u?...smiles.....COc1sc( |
16360 | 3d 4f 29 6e 28 6e 31 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 | =O)n(n1)CSP(=S)(OC)OC..updated_a |
16380 | 74 00 7a ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e4 ae bf c6 52 01 00 00 10 64 | t.z...R....created_at.....R....d |
163a0 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0e 00 00 00 02 69 6e 63 | efault_fingerprint_size......inc |
163c0 | 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 63 31 2d | hi.K...InChI=1S/C6H11N2O4PS3/c1- |
163e0 | 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 31 31 2d | 10-5-7-8(6(9)16-5)4-15-13(14,11- |
16400 | 32 29 31 32 2d 33 2f 68 34 48 32 2c 31 2d 33 48 33 00 00 38 03 00 00 07 5f 69 64 00 56 ba 0c 34 | 2)12-3/h4H2,1-3H3..8...._id.V..4 |
16420 | 2b 72 ed 35 6f 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 | +r.5o..k.warnings.......fingerpr |
16440 | 69 6e 74 73 00 62 01 00 00 04 4d 50 32 44 00 57 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d | ints.b....MP2D.W....0.....1;1-1- |
16460 | 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; |
16480 | 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- |
164a0 | 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 33 00 16 00 00 00 39 3b 31 | 9;1-1-28;2-1-1;2-1-6;..3.....9;1 |
164c0 | 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- |
164e0 | 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 35 00 22 | 2;1-1-6;2-1-2;2-1-9;2-1-28;..5." |
16500 | 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 2d 31 | ...6;1-1-2;1-1-8;2-1-1;2-1-2;2-1 |
16520 | 2d 31 30 3b 00 02 36 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 30 | -10;..6."...2;1-1-1;1-1-6;1-1-10 |
16540 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 37 00 1c 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d | ;2-1-1;2-1-8;..7.....10;1-1-1;1- |
16560 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 38 00 10 00 00 00 31 3b 31 2d 31 2d 31 30 | 1-2;2-1-1;2-1-6;..8.....1;1-1-10 |
16580 | 3b 32 2d 31 2d 32 3b 00 02 39 00 16 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 31 | ;2-1-2;..9.....1;1-1-2;2-1-6;2-1 |
165a0 | 2d 31 30 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b | -10;....dataset_ids......0.V..4+ |
165c0 | 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed | r.5o....1.V..:+r.5o....2.V..;+r. |
165e0 | 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f | 5o....3.V..<+r.5o....4.V..=+r.5o |
16600 | 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 | ....5.V..=+r.5o....6.V..?+r.5o.. |
16620 | cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 | ..7.V..@+r.5o....8.V..A+r.5o.... |
16640 | 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 | 9.V..B+r.5o....10.V..C+r.5o..... |
16660 | 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 | features.:....56ba0c342b72ed356f |
16680 | 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 c6 62 91 77 62 90 af 3f 01 31 00 c6 62 91 77 62 90 bf | 000000......0..b.wb..?.1..b.wb.. |
166a0 | 3f 00 00 02 73 6d 69 6c 65 73 00 11 00 00 00 43 4e 43 28 3d 4f 29 4f 4e 3d 43 28 53 43 29 43 00 | ?...smiles.....CNC(=O)ON=C(SC)C. |
166c0 | 09 75 70 64 61 74 65 64 5f 61 74 00 68 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at.h...R....created_at. |
166e0 | e9 ae bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | ....R....default_fingerprint_siz |
16700 | 65 00 0a 00 00 00 02 69 6e 63 68 69 00 39 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 31 30 4e | e......inchi.9...InChI=1S/C5H10N |
16720 | 32 4f 32 53 2f 63 31 2d 34 28 31 30 2d 33 29 37 2d 39 2d 35 28 38 29 36 2d 32 2f 68 31 2d 33 48 | 2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H |
16740 | 33 2c 28 48 2c 36 2c 38 29 00 00 54 03 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 6c | 3,(H,6,8)..T...._id.V..4+r.5o..l |
16760 | 04 77 61 72 6e 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 | .warnings.......fingerprints.k.. |
16780 | 00 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 | ..MP2D.`....0.....1;1-1-8;2-1-12 |
167a0 | 3b 00 02 31 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 | ;..1.....8;1-1-1;1-1-12;2-2-8;2- |
167c0 | 31 2d 31 38 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 | 1-18;..2.....12;1-3-8;1-1-18;2-2 |
167e0 | 2d 31 3b 32 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 | -1;2-1-3;..3.....18;1-1-12;2-3-8 |
16800 | 3b 00 02 34 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 | ;..4.#...8;1-1-3;1-1-12;2-2-3;2- |
16820 | 32 2d 38 3b 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 | 2-8;2-1-18;..5.....3;1-2-3;1-1-8 |
16840 | 3b 32 2d 32 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 | ;2-2-3;2-1-12;..6.....3;1-2-3;2- |
16860 | 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 3b 32 2d 32 2d 33 3b | 2-3;2-1-8;..7.....3;1-2-3;2-2-3; |
16880 | 32 2d 31 2d 31 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 | 2-1-19;..8.....3;1-2-3;1-1-19;2- |
168a0 | 32 2d 33 3b 32 2d 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 | 2-3;2-2-9;..9.....19;1-1-3;1-2-9 |
168c0 | 3b 32 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 | ;2-2-3;..10.....9;1-1-19;2-1-3;2 |
168e0 | 2d 31 2d 39 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 | -1-9;....dataset_ids......0.V..4 |
16900 | 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3b 2b 72 | +r.5o....1.V..9+r.5o....2.V..;+r |
16920 | ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 | .5o....3.V..<+r.5o....4.V..=+r.5 |
16940 | 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 | o....5.V..>+r.5o....6.V..?+r.5o. |
16960 | 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 | ...7.V..@+r.5o....8.V..A+r.5o... |
16980 | 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 | .9.V..B+r.5o....10.V..C+r.5o.... |
169a0 | 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 | .features./....56ba0c342b72ed356 |
169c0 | 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 ac 75 94 49 ad 1f 4f 3f 00 00 02 73 6d 69 6c 65 73 | f000000......0..u.I..O?...smiles |
169e0 | 00 1e 00 00 00 43 4f 50 28 3d 53 29 28 4f 63 31 63 63 63 28 63 63 31 29 4e 28 3d 4f 29 3d 4f 29 | .....COP(=S)(Oc1ccc(cc1)N(=O)=O) |
16a00 | 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 47 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f | OC..updated_at.G...R....created_ |
16a20 | 61 74 00 ef ae bf c6 52 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.....R....default_fingerprint_ |
16a40 | 73 69 7a 65 00 0b 00 00 00 02 69 6e 63 68 69 00 4a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 | size......inchi.J...InChI=1S/C8H |
16a60 | 31 30 4e 4f 35 50 53 2f 63 31 2d 31 32 2d 31 35 28 31 36 2c 31 33 2d 32 29 31 34 2d 38 2d 35 2d | 10NO5PS/c1-12-15(16,13-2)14-8-5- |
16a80 | 33 2d 37 28 34 2d 36 2d 38 29 39 28 31 30 29 31 31 2f 68 33 2d 36 48 2c 31 2d 32 48 33 00 00 af | 3-7(4-6-8)9(10)11/h3-6H,1-2H3... |
16aa0 | 03 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 6d 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..4+r.5o..m.warnings... |
16ac0 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 d2 01 00 00 04 4d 50 32 44 00 c7 01 00 00 02 | ....fingerprints......MP2D...... |
16ae0 | 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 17 00 00 00 31 30 3b | 0.....1;1-1-10;2-1-3;..1.....10; |
16b00 | 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 32 00 2a 00 00 00 33 3b 31 2d 31 | 1-1-1;1-1-3;2-2-11;..2.*...3;1-1 |
16b20 | 2d 31 30 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 35 3b 32 2d 31 | -10;1-2-11;2-1-1;2-1-3;2-1-5;2-1 |
16b40 | 2d 31 31 3b 00 02 33 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 | -11;..3.%...11;1-1-3;1-1-11;2-1- |
16b60 | 33 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 31 3b 00 02 34 00 1d 00 00 00 31 31 3b 31 2d 31 2d 33 | 3;2-1-10;2-1-11;..4.....11;1-1-3 |
16b80 | 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 29 00 00 00 33 3b 31 2d | ;1-1-11;2-1-1;2-2-3;..5.)...3;1- |
16ba0 | 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 39 3b 32 2d 32 | 1-1;1-1-3;1-1-11;2-3-1;2-1-9;2-2 |
16bc0 | 2d 31 31 3b 00 02 36 00 2f 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 31 | -11;..6./...3;1-1-3;1-1-9;1-1-11 |
16be0 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 35 3b 32 2d 31 2d 31 31 3b 00 02 37 00 16 00 | ;2-1-1;2-1-3;2-1-5;2-1-11;..7... |
16c00 | 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 2a 00 00 00 31 | ..9;1-1-3;2-1-3;2-1-11;..8.*...1 |
16c20 | 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 35 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 30 | 1;1-2-3;1-1-5;2-1-3;2-1-9;2-1-10 |
16c40 | 3b 32 2d 31 2d 31 31 3b 00 02 39 00 10 00 00 00 35 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 | ;2-1-11;..9.....5;1-1-11;2-2-3;. |
16c60 | 02 31 30 00 1c 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d | .10.....1;1-3-1;1-1-3;2-1-3;2-1- |
16c80 | 31 31 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 33 3b | 11;..11.....1;1-1-1;2-2-1;2-1-3; |
16ca0 | 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f | ....dataset_ids......0.V..4+r.5o |
16cc0 | 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 | ....1.V..:+r.5o....2.V..;+r.5o.. |
16ce0 | c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 | ..3.V..<+r.5o....4.V..=+r.5o.... |
16d00 | 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 | 5.V..>+r.5o....6.V..?+r.5o....7. |
16d20 | 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba | V..@+r.5o....8.V..A+r.5o....9.V. |
16d40 | 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 | .B+r.5o....10.V..C+r.5o.....feat |
16d60 | 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 | ures./....56ba0c342b72ed356f0000 |
16d80 | 30 30 00 10 00 00 00 01 30 00 00 0b f7 cf 78 eb b1 3f 00 00 02 73 6d 69 6c 65 73 00 1a 00 00 00 | 00......0.....x..?...smiles..... |
16da0 | 43 53 63 31 6e 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 | CSc1nnc(c(=O)n1N)C(C)(C)C..updat |
16dc0 | 65 64 5f 61 74 00 dd e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f5 ae bf c6 52 01 | ed_at.....R....created_at.....R. |
16de0 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0c 00 00 00 | ...default_fingerprint_size..... |
16e00 | 02 69 6e 63 68 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 | .inchi.B...InChI=1S/C8H14N4OS/c1 |
16e20 | 2d 38 28 32 2c 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 | -8(2,3)5-6(13)12(9)7(14-4)11-10- |
16e40 | 35 2f 68 39 48 32 2c 31 2d 34 48 33 00 00 49 03 00 00 07 5f 69 64 00 56 ba 0c 34 2b 72 ed 35 6f | 5/h9H2,1-4H3..I...._id.V..4+r.5o |
16e60 | 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 73 00 | ..n.warnings.......fingerprints. |
16e80 | 6b 01 00 00 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 | k....MP2D.`....0.....1;1-1-8;2-1 |
16ea0 | 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 32 3b 32 2d 32 2d 38 | -12;..1.....8;1-1-1;1-1-12;2-2-8 |
16ec0 | 3b 32 2d 31 2d 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 | ;2-1-9;..2.....12;1-3-8;1-1-9;2- |
16ee0 | 33 2d 31 3b 00 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 | 3-1;..3.....9;1-1-12;2-3-8;..4.) |
16f00 | 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- |
16f20 | 31 2d 39 3b 32 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 | 1-9;2-1-14;..5.+...1;1-1-1;1-1-8 |
16f40 | 3b 31 2d 31 2d 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 | ;1-1-14;2-1-12;2-1-14;2-2-15;..6 |
16f60 | 00 24 00 00 00 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 | .$...1;1-1-1;1-1-14;1-2-15;2-1-8 |
16f80 | 3b 32 2d 31 2d 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 | ;2-1-14;..7.....14;1-1-1;2-1-1;2 |
16fa0 | 2d 32 2d 31 35 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 | -2-15;..8.....15;1-1-1;2-1-1;2-1 |
16fc0 | 2d 31 34 3b 32 2d 31 2d 31 35 3b 00 02 39 00 16 00 00 00 31 34 3b 31 2d 31 2d 31 3b 32 2d 31 2d | -14;2-1-15;..9.....14;1-1-1;2-1- |
16fe0 | 31 3b 32 2d 31 2d 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 | 1;2-1-8;....dataset_ids......0.V |
17000 | ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c | ..4+r.5o....1.V..:+r.5o....2.V.. |
17020 | 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b | ;+r.5o....3.V..<+r.5o....4.V..=+ |
17040 | 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 ed | r.5o....5.V..=+r.5o....6.V..?+r. |
17060 | 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f | 5o....7.V..@+r.5o....8.V..A+r.5o |
17080 | 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 | ....9.V..B+r.5o....10.V..C+r.5o. |
170a0 | 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 | ....features./....56ba0c342b72ed |
170c0 | 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 78 4d 5f 49 76 83 75 3f 00 00 02 73 6d 69 | 356f000000......0.xM_Iv.u?...smi |
170e0 | 6c 65 73 00 1d 00 00 00 43 4f 50 28 3d 4f 29 28 4f 43 28 43 28 42 72 29 28 43 6c 29 43 6c 29 42 | les.....COP(=O)(OC(C(Br)(Cl)Cl)B |
17100 | 72 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 78 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 | r)OC..updated_at.x...R....create |
17120 | 64 5f 61 74 00 fa ae bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.....R....default_fingerprin |
17140 | 74 5f 73 69 7a 65 00 0a 00 00 00 02 69 6e 63 68 69 00 40 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.@...InChI=1S/C |
17160 | 34 48 37 42 72 32 43 6c 32 4f 34 50 2f 63 31 2d 31 30 2d 31 33 28 39 2c 31 31 2d 32 29 31 32 2d | 4H7Br2Cl2O4P/c1-10-13(9,11-2)12- |
17180 | 33 28 35 29 34 28 36 2c 37 29 38 2f 68 33 48 2c 31 2d 32 48 33 00 00 cf 07 00 00 07 5f 69 64 00 | 3(5)4(6,7)8/h3H,1-2H3......._id. |
171a0 | 56 ba 0c 34 2b 72 ed 35 6f 00 00 6f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..4+r.5o..o.warnings.......fing |
171c0 | 65 72 70 72 69 6e 74 73 00 fa 04 00 00 04 4d 50 32 44 00 ef 04 00 00 02 30 00 0f 00 00 00 38 3b | erprints......MP2D......0.....8; |
171e0 | 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d | 1-1-1;2-2-1;..1.....1;1-2-1;1-1- |
17200 | 38 3b 32 2d 32 2d 31 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 | 8;2-2-1;..2.....1;1-2-1;2-2-1;2- |
17220 | 33 2d 38 3b 00 02 33 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 32 2d 38 3b 32 2d 33 2d 31 3b | 3-8;..3.....1;1-2-1;1-2-8;2-3-1; |
17240 | 00 02 34 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 | ..4.....8;1-1-1;2-2-1;2-1-8;..5. |
17260 | 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 32 3b 00 02 | ....1;1-2-1;1-1-8;2-2-1;2-1-2;.. |
17280 | 36 00 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 | 6."...1;1-2-1;1-1-2;2-3-1;2-2-8; |
172a0 | 32 2d 32 2d 33 32 3b 00 02 37 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 | 2-2-32;..7.....1;1-3-1;1-1-8;2-3 |
172c0 | 2d 31 3b 32 2d 31 2d 32 3b 00 02 38 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 35 2d 31 3b 32 | -1;2-1-2;..8.....8;1-2-1;2-5-1;2 |
172e0 | 2d 31 2d 38 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 2d 38 | -1-8;..9.....1;1-1-1;2-2-1;2-1-8 |
17300 | 3b 00 02 31 30 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 | ;..10.....1;1-2-1;2-2-1;2-1-2;2- |
17320 | 32 2d 38 3b 00 02 31 31 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;..11.!...1;1-1-1;1-1-2;1-1-8 |
17340 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 32 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d | ;2-2-1;2-1-2;..12.!...2;1-1-1;1- |
17360 | 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 33 00 15 00 00 00 32 | 1-2;2-1-1;2-1-2;2-1-8;..13.....2 |
17380 | 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 34 00 0f 00 00 00 32 3b 31 2d | ;1-2-2;2-1-1;2-1-2;..14.....2;1- |
173a0 | 32 2d 32 3b 32 2d 32 2d 32 3b 00 02 31 35 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | 2-2;2-2-2;..15.....2;1-1-1;1-1-2 |
173c0 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 36 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | ;2-1-1;2-1-2;..16.!...1;1-1-1;1- |
173e0 | 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 37 00 15 00 00 00 31 | 1-2;2-1-1;2-1-2;2-1-8;..17.....1 |
17400 | 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 32 3b 00 02 31 38 00 21 00 00 00 38 3b 31 2d | ;1-2-1;1-1-8;2-2-2;..18.!...8;1- |
17420 | 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 31 39 | 1-1;1-1-2;2-2-1;2-1-2;2-1-9;..19 |
17440 | 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 3b 32 | .!...2;1-1-2;1-1-8;1-1-9;2-1-1;2 |
17460 | 2d 31 2d 32 3b 00 02 32 30 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d | -1-2;..20.....9;1-1-2;2-1-2;2-1- |
17480 | 38 3b 00 02 32 31 00 1b 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 | 8;..21.....2;1-2-2;2-1-1;2-1-8;2 |
174a0 | 2d 31 2d 39 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 | -1-9;..22.'...1;1-1-1;1-1-2;1-1- |
174c0 | 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 21 00 00 00 31 3b 31 | 8;2-3-1;2-1-2;2-1-8;..23.!...1;1 |
174e0 | 2d 33 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 00 02 32 | -3-1;1-1-8;2-2-1;2-1-2;2-1-8;..2 |
17500 | 34 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 32 2d 38 3b 00 02 32 35 00 15 | 4.....1;1-2-1;2-3-1;2-2-8;..25.. |
17520 | 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 32 36 00 15 00 00 00 | ...8;1-2-1;2-4-1;2-1-2;..26..... |
17540 | 31 3b 31 2d 31 2d 31 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 | 1;1-1-1;2-1-1;2-1-8;..27.....8;1 |
17560 | 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 32 38 00 1b 00 00 00 | -2-1;2-3-1;2-1-2;2-1-8;..28..... |
17580 | 31 3b 31 2d 32 2d 31 3b 31 2d 32 2d 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 39 00 15 | 1;1-2-1;1-2-8;2-3-1;2-1-8;..29.. |
175a0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 00 02 33 30 00 15 00 00 00 | ...1;1-1-1;2-1-1;2-2-8;..30..... |
175c0 | 38 3b 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 31 00 1b 00 00 00 31 3b 31 | 8;1-2-1;2-4-1;2-1-8;..31.....1;1 |
175e0 | 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 33 32 00 21 00 00 00 | -2-1;1-1-8;2-2-1;2-1-8;..32.!... |
17600 | 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 31 2d 38 3b | 1;1-2-1;1-1-8;2-2-1;2-1-5;2-1-8; |
17620 | 00 02 33 33 00 1b 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 32 | ..33.....1;1-2-1;1-1-5;2-2-1;2-2 |
17640 | 2d 38 3b 00 02 33 34 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 | -8;..34.!...1;1-2-1;1-1-8;2-2-1; |
17660 | 32 2d 31 2d 35 3b 32 2d 32 2d 38 3b 00 02 33 35 00 0f 00 00 00 35 3b 31 2d 31 2d 31 3b 32 2d 32 | 2-1-5;2-2-8;..35.....5;1-1-1;2-2 |
17680 | 2d 31 3b 00 02 33 36 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 | -1;..36.....2;1-1-1;1-2-32;2-2-1 |
176a0 | 3b 00 02 33 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 | ;..37.....32;1-1-2;2-1-1;2-1-32; |
176c0 | 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f | ....dataset_ids......0.V..4+r.5o |
176e0 | 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 | ....1.V..:+r.5o....2.V..;+r.5o.. |
17700 | c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 | ..3.V..<+r.5o....4.V..=+r.5o.... |
17720 | 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 | 5.V..>+r.5o....6.V..?+r.5o....7. |
17740 | 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba | V..@+r.5o....8.V..A+r.5o....9.V. |
17760 | 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 | .B+r.5o....10.V..C+r.5o.....feat |
17780 | 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 | ures./....56ba0c342b72ed356f0000 |
177a0 | 30 30 00 10 00 00 00 01 30 00 39 a8 46 cc 83 0a ba 3f 00 00 02 73 6d 69 6c 65 73 00 60 00 00 00 | 00......0.9.F....?...smiles.`... |
177c0 | 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 3d | OC1CC2(O)CC(O)C(C(O2)(C)CC(C=CC= |
177e0 | 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 29 | CC=CC=CCC(OC(=O)C=CC2C(C1)(C)O2) |
17800 | 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 00 | C)OC1(C)OC(C)C(C(C1O)N)O)C(=O)O. |
17820 | 09 75 70 64 61 74 65 64 5f 61 74 00 71 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at.q...R....created_at. |
17840 | 04 af bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | ....R....default_fingerprint_siz |
17860 | 65 00 26 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 33 | e.&....inchi.....InChI=1S/C36H53 |
17880 | 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 31 | NO13/c1-21-13-11-9-7-6-8-10-12-1 |
178a0 | 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 32 | 4-24(48-35(5)31(42)29(37)30(41)2 |
178c0 | 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 35 | 2(2)47-35)19-34(4)28(32(43)44)25 |
178e0 | 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 33 | (39)20-36(45,50-34)18-23(38)17-3 |
17900 | 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 68 | 3(3)26(49-33)15-16-27(40)46-21/h |
17920 | 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 2d | 6-12,14-16,21-26,28-31,38-39,41- |
17940 | 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 33 | 42,45H,13,17-20,37H2,1-5H3,(H,43 |
17960 | 2c 34 34 29 00 00 08 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 70 04 77 61 72 6e | ,44)......._id.V..5+r.5o..p.warn |
17980 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 36 01 00 00 04 4d 50 32 | ings.......fingerprints.6....MP2 |
179a0 | 44 00 2b 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 | D.+....0.....9;1-1-19;2-1-3;2-1- |
179c0 | 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 33 3b 00 | 9;..1.....19;1-1-3;1-2-9;2-2-3;. |
179e0 | 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 32 2d | .2.....3;1-2-3;1-1-19;2-2-3;2-2- |
17a00 | 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 39 3b 00 | 9;..3.....3;1-2-3;2-2-3;2-1-19;. |
17a20 | 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 1c | .4.....3;1-2-3;2-1-1;2-2-3;..5.. |
17a40 | 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 02 | ...3;1-1-1;1-2-3;2-2-3;2-1-19;.. |
17a60 | 36 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 | 6.....3;1-2-3;1-1-19;2-1-1;2-2-3 |
17a80 | 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 39 3b 00 02 | ;..7.....3;1-2-3;2-2-3;2-2-19;.. |
17aa0 | 38 00 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 31 3b 31 | 8.....19;1-1-3;2-2-3;..9.....1;1 |
17ac0 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 | -1-3;2-2-3;....dataset_ids...... |
17ae0 | 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 | 0.V..4+r.5o....1.V..:+r.5o....2. |
17b00 | 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba | V..;+r.5o....3.V..<+r.5o....4.V. |
17b20 | 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f | .=+r.5o....5.V..>+r.5o....6.V..? |
17b40 | 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 | +r.5o....7.V..@+r.5o....8.V..A+r |
17b60 | ed 35 6f 00 01 cf 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed | .5o....9.V..B+r.5o....10.V..C+r. |
17b80 | 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 | 5o.....features./....56ba0c342b7 |
17ba0 | 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 e8 f4 e8 7a b2 eb aa 3f 00 00 02 | 2ed356f000000......0....z...?... |
17bc0 | 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 43 | smiles.....O=N(=O)c1ccc(c(c1)N)C |
17be0 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 20 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.....R....created_at |
17c00 | 00 09 af bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | .....R....default_fingerprint_si |
17c20 | 7a 65 00 0a 00 00 00 02 69 6e 63 68 69 00 3b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 38 4e | ze......inchi.;...InChI=1S/C7H8N |
17c40 | 32 4f 32 2f 63 31 2d 35 2d 32 2d 33 2d 36 28 39 28 31 30 29 31 31 29 34 2d 37 28 35 29 38 2f 68 | 2O2/c1-5-2-3-6(9(10)11)4-7(5)8/h |
17c60 | 32 2d 34 48 2c 38 48 32 2c 31 48 33 00 00 d6 02 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f | 2-4H,8H2,1H3......._id.V..5+r.5o |
17c80 | 00 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 | ..q.warnings.......fingerprints. |
17ca0 | 06 01 00 00 04 4d 50 32 44 00 fb 00 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- |
17cc0 | 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 |
17ce0 | 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;.. |
17d00 | 33 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 | 3.....3;1-2-3;1-1-19;2-2-3;2-1-1 |
17d20 | 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 3b 32 | 9;..4.#...3;1-2-3;1-1-19;2-2-3;2 |
17d40 | 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 2d 32 2d | -2-9;2-1-19;..5.....3;1-2-3;2-2- |
17d60 | 33 3b 32 2d 32 2d 31 39 3b 00 02 36 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 32 2d 39 3b | 3;2-2-19;..6.....19;1-1-3;1-2-9; |
17d80 | 32 2d 32 2d 33 3b 00 02 37 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;..7.....9;1-1-19;2-1-3;2-1 |
17da0 | 2d 39 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 | -9;....dataset_ids......0.V..4+r |
17dc0 | ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 | .5o....1.V..:+r.5o....2.V..:+r.5 |
17de0 | 6f 00 01 c3 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 | o....3.V..<+r.5o....4.V..=+r.5o. |
17e00 | 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc | ...5.V..>+r.5o....6.V..?+r.5o... |
17e20 | 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 | .7.V..@+r.5o....8.V..A+r.5o....9 |
17e40 | 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 | .V..B+r.5o....10.V..C+r.5o.....f |
17e60 | 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 | eatures./....56ba0c342b72ed356f0 |
17e80 | 30 30 30 30 30 00 10 00 00 00 01 30 00 2e d5 ce 49 fa 2d e2 3f 00 00 02 73 6d 69 6c 65 73 00 16 | 00000......0....I.-.?...smiles.. |
17ea0 | 00 00 00 4e 63 31 63 63 63 28 63 28 63 31 29 4e 28 3d 4f 29 3d 4f 29 4e 00 09 75 70 64 61 74 65 | ...Nc1ccc(c(c1)N(=O)=O)N..update |
17ec0 | 64 5f 61 74 00 b9 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 0f af bf c6 52 01 00 | d_at.....R....created_at.....R.. |
17ee0 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 08 00 00 00 02 | ..default_fingerprint_size...... |
17f00 | 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 2d 34 | inchi.9...InChI=1S/C6H7N3O2/c7-4 |
17f20 | 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 2d 38 | -1-2-5(8)6(3-4)9(10)11/h1-3H,7-8 |
17f40 | 48 32 00 00 44 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 72 04 77 61 72 6e 69 6e | H2..D...._id.V..5+r.5o..r.warnin |
17f60 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 63 01 00 00 04 4d 50 32 44 00 | gs.......fingerprints.c....MP2D. |
17f80 | 58 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 33 32 | X....0.....32;1-1-2;2-1-3;2-1-32 |
17fa0 | 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 3b 00 02 | ;..1.....2;1-1-3;1-2-32;2-2-3;.. |
17fc0 | 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 31 39 | 2.#...3;1-1-2;1-2-3;2-2-3;2-1-19 |
17fe0 | 3b 32 2d 32 2d 33 32 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 | ;2-2-32;..3.....3;1-2-3;2-1-2;2- |
18000 | 32 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 2d 31 39 | 2-3;..4.....3;1-2-3;2-2-3;2-1-19 |
18020 | 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 32 2d | ;..5.....3;1-2-3;1-1-19;2-2-3;2- |
18040 | 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 39 | 2-9;..6.....3;1-2-3;2-2-3;2-2-19 |
18060 | 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 3b 32 2d | ;..7.....3;1-2-3;1-1-19;2-1-2;2- |
18080 | 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 39 00 16 | 2-3;..8.....19;1-1-3;2-2-3;..9.. |
180a0 | 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 00 16 00 00 | ...19;1-1-3;1-2-9;2-2-3;..10.... |
180c0 | 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 04 64 61 74 61 73 65 | .9;1-1-19;2-1-3;2-1-9;....datase |
180e0 | 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a | t_ids......0.V..4+r.5o....1.V..: |
18100 | 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 | +r.5o....2.V..;+r.5o....3.V..<+r |
18120 | ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 | .5o....4.V..=+r.5o....5.V..>+r.5 |
18140 | 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 | o....6.V..?+r.5o....7.V..@+r.5o. |
18160 | 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 | ...8.V..A+r.5o....9.V..B+r.5o... |
18180 | 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 | .10.V..C+r.5o.....features./.... |
181a0 | 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 | 56ba0c342b72ed356f000000......0. |
181c0 | 81 5c a9 44 5d 06 1a 40 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 4f 43 28 3d 4f 29 63 31 63 63 | .\.D]..@...smiles.....OC(=O)c1cc |
181e0 | 63 28 63 63 31 4e 29 4e 28 3d 4f 29 3d 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 a8 e9 bf c6 52 | c(cc1N)N(=O)=O..updated_at.....R |
18200 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 14 af bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.....R....default_ |
18220 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0b 00 00 00 02 69 6e 63 68 69 00 47 00 00 00 | fingerprint_size......inchi.G... |
18240 | 49 6e 43 68 49 3d 31 53 2f 43 37 48 36 4e 32 4f 34 2f 63 38 2d 36 2d 33 2d 34 28 39 28 31 32 29 | InChI=1S/C7H6N2O4/c8-6-3-4(9(12) |
18260 | 31 33 29 31 2d 32 2d 35 28 36 29 37 28 31 30 29 31 31 2f 68 31 2d 33 48 2c 38 48 32 2c 28 48 2c | 13)1-2-5(6)7(10)11/h1-3H,8H2,(H, |
18280 | 31 30 2c 31 31 29 00 00 bc 02 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 73 04 77 61 | 10,11)......._id.V..5+r.5o..s.wa |
182a0 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 e9 00 00 00 04 4d | rnings.......fingerprints......M |
182c0 | 50 32 44 00 de 00 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 | P2D......0.....9;1-1-19;2-1-3;2- |
182e0 | 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 33 | 1-9;..1.....19;1-1-3;1-2-9;2-2-3 |
18300 | 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 33 2d 33 3b 32 2d | ;..2.....3;1-2-3;1-1-19;2-3-3;2- |
18320 | 32 2d 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 39 | 2-9;..3.....3;1-2-3;2-2-3;2-1-19 |
18340 | 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 |
18360 | 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 |
18380 | 2d 33 3b 00 02 37 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 | -3;..7.....3;1-3-3;2-4-3;2-1-19; |
183a0 | 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f | ....dataset_ids......0.V..4+r.5o |
183c0 | 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 | ....1.V..:+r.5o....2.V..:+r.5o.. |
183e0 | c3 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 | ..3.V..<+r.5o....4.V..=+r.5o.... |
18400 | 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 | 5.V..>+r.5o....6.V..?+r.5o....7. |
18420 | 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba | V..@+r.5o....8.V..A+r.5o....9.V. |
18440 | 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 | .B+r.5o....10.V..C+r.5o.....feat |
18460 | 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 | ures./....56ba0c342b72ed356f0000 |
18480 | 30 30 00 10 00 00 00 01 30 00 5d 50 fd 77 98 7d ee 3f 00 00 02 73 6d 69 6c 65 73 00 16 00 00 00 | 00......0.]P.w.}.?...smiles..... |
184a0 | 4f 3d 4e 28 3d 4f 29 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 | O=N(=O)c1cccc2c1cccc2..updated_a |
184c0 | 74 00 c6 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 19 af bf c6 52 01 00 00 10 64 | t.....R....created_at.....R....d |
184e0 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 08 00 00 00 02 69 6e 63 | efault_fingerprint_size......inc |
18500 | 68 69 00 3c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 37 4e 4f 32 2f 63 31 32 2d 31 31 28 | hi.<...InChI=1S/C10H7NO2/c12-11( |
18520 | 31 33 29 31 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 | 13)10-7-3-5-8-4-1-2-6-9(8)10/h1- |
18540 | 37 48 00 00 2d 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 74 04 77 61 72 6e 69 6e | 7H..-...._id.V..5+r.5o..t.warnin |
18560 | 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 44 00 | gs.......fingerprints......MP2D. |
18580 | 06 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 02 31 00 1b 00 00 | .....0.....8;1-1-3;2-2-3;..1.... |
185a0 | 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 36 3b 00 02 32 00 15 | .3;1-2-3;1-1-8;2-2-3;2-1-6;..2.. |
185c0 | 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 00 0f 00 00 00 33 | ...3;1-2-3;2-2-3;2-1-8;..3.....3 |
185e0 | 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 34 | ;1-2-3;2-3-3;..4.....3;1-3-3;2-4 |
18600 | 2d 33 3b 00 02 35 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 | -3;..5.....3;1-3-3;2-4-3;2-1-6;. |
18620 | 02 36 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 32 2d 31 2d 36 | .6.!...3;1-2-3;1-1-6;2-3-3;2-1-6 |
18640 | 3b 32 2d 31 2d 38 3b 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 | ;2-1-8;..7.....6;1-1-3;1-1-6;2-3 |
18660 | 2d 33 3b 00 02 38 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;..8.....3;1-2-3;1-1-6;2-2-3;2 |
18680 | 2d 31 2d 36 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 36 | -1-6;..9.....3;1-2-3;2-2-3;2-1-6 |
186a0 | 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 16 00 00 | ;..10.....3;1-2-3;2-2-3;..11.... |
186c0 | 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 22 00 00 00 33 | .3;1-2-3;2-2-3;2-1-10;..12."...3 |
186e0 | 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; |
18700 | 00 02 31 33 00 16 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 | ..13.....3;1-2-3;2-3-3;2-1-10;.. |
18720 | 31 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 2d 32 2d | 14.....10;1-1-3;1-1-8;1-2-9;2-2- |
18740 | 33 3b 00 02 31 35 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 | 3;..15.....9;1-1-10;2-1-3;2-1-8; |
18760 | 32 2d 31 2d 39 3b 00 02 31 36 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;..16.....8;1-1-10;2-1-3;2- |
18780 | 32 2d 39 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b | 2-9;....dataset_ids......0.V..4+ |
187a0 | 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed | r.5o....1.V..:+r.5o....2.V..:+r. |
187c0 | 35 6f 00 01 c3 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f | 5o....3.V..<+r.5o....4.V..=+r.5o |
187e0 | 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 | ....5.V..>+r.5o....6.V..?+r.5o.. |
18800 | cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 | ..7.V..@+r.5o....8.V..A+r.5o.... |
18820 | 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 | 9.V..B+r.5o....10.V..C+r.5o..... |
18840 | 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 | features./....56ba0c342b72ed356f |
18860 | 30 30 30 30 30 30 00 10 00 00 00 01 30 00 17 b4 fc aa eb 8a e1 3f 00 00 02 73 6d 69 6c 65 73 00 | 000000......0........?...smiles. |
18880 | 29 00 00 00 4f 63 31 63 63 63 32 63 28 63 31 4e 3d 4e 63 31 63 63 63 63 63 31 29 63 63 63 28 63 | )...Oc1ccc2c(c1N=Nc1ccccc1)ccc(c |
188a0 | 32 29 53 28 3d 4f 29 28 3d 4f 29 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 78 e8 bf c6 52 01 00 | 2)S(=O)(=O)O..updated_at.x...R.. |
188c0 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 1f af bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at.....R....default_fi |
188e0 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 11 00 00 00 02 69 6e 63 68 69 00 72 00 00 00 49 6e | ngerprint_size......inchi.r...In |
18900 | 43 68 49 3d 31 53 2f 43 31 36 48 31 32 4e 32 4f 34 53 2f 63 31 39 2d 31 35 2d 39 2d 36 2d 31 31 | ChI=1S/C16H12N2O4S/c19-15-9-6-11 |
18920 | 2d 31 30 2d 31 33 28 32 33 28 32 30 2c 32 31 29 32 32 29 37 2d 38 2d 31 34 28 31 31 29 31 36 28 | -10-13(23(20,21)22)7-8-14(11)16( |
18940 | 31 35 29 31 38 2d 31 37 2d 31 32 2d 34 2d 32 2d 31 2d 33 2d 35 2d 31 32 2f 68 31 2d 31 30 2c 31 | 15)18-17-12-4-2-1-3-5-12/h1-10,1 |
18960 | 39 48 2c 28 48 2c 32 30 2c 32 31 2c 32 32 29 00 00 93 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 | 9H,(H,20,21,22)......._id.V..5+r |
18980 | ed 35 6f 00 00 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 | .5o..u.warnings.......fingerprin |
189a0 | 74 73 00 85 02 00 00 04 4d 50 32 44 00 7a 02 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b | ts......MP2D.z....0.....1;1-1-1; |
189c0 | 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 3b 31 2d 31 2d | 2-1-1;2-1-8;..1.....1;1-2-1;1-1- |
189e0 | 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- |
18a00 | 32 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 | 2-1;2-2-3;..3."...3;1-2-3;1-1-8; |
18a20 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d 32 | 2-1-1;2-2-3;2-1-15;..4.....3;1-2 |
18a40 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 35 00 24 00 00 00 33 3b | -3;2-2-3;2-1-8;2-1-11;..5.$...3; |
18a60 | 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 35 | 1-2-3;1-1-11;2-3-3;2-1-11;2-1-15 |
18a80 | 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- |
18aa0 | 31 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 32 2d 31 | 1-11;..7.....3;1-2-3;2-2-3;2-2-1 |
18ac0 | 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 32 | 5;..8.....3;1-2-3;1-1-15;2-2-3;2 |
18ae0 | 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 30 | -1-8;..9.....15;1-1-3;2-2-3;..10 |
18b00 | 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 |
18b20 | 3b 00 02 31 31 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 | ;..11.#...11;1-1-3;1-1-11;2-1-1; |
18b40 | 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 32 00 29 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-2-3;2-1-9;..12.)...3;1-1-1;1-1 |
18b60 | 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 |
18b80 | 33 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 | 3.....9;1-2-3;2-1-1;2-1-9;2-2-11 |
18ba0 | 3b 00 02 31 34 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 | ;..14.....3;1-2-9;1-1-11;2-2-3;2 |
18bc0 | 2d 31 2d 31 31 3b 00 02 31 35 00 16 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 | -1-11;..15.....9;1-1-3;2-1-9;2-1 |
18be0 | 2d 31 31 3b 00 02 31 36 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;..16.....1;1-3-1;1-1-3;2-1-9 |
18c00 | 3b 32 2d 31 2d 31 31 3b 00 02 31 37 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 | ;2-1-11;..17.....1;1-1-1;2-2-1;2 |
18c20 | 2d 31 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 | -1-3;....dataset_ids......0.V..4 |
18c40 | 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 | +r.5o....1.V..:+r.5o....2.V..:+r |
18c60 | ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 | .5o....3.V..<+r.5o....4.V..=+r.5 |
18c80 | 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 | o....5.V..>+r.5o....6.V..?+r.5o. |
18ca0 | 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 | ...7.V..@+r.5o....8.V..A+r.5o... |
18cc0 | 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 | .9.V..B+r.5o....10.V..C+r.5o.... |
18ce0 | 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 | .features./....56ba0c342b72ed356 |
18d00 | 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 b1 a5 66 1a 83 a9 8d 3f 00 00 02 73 6d 69 6c 65 73 | f000000......0...f....?...smiles |
18d20 | 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 31 6e 63 28 6f 63 | .*...CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc |
18d40 | 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 00 7c e8 bf c6 52 | 1=O)C(C)(C)C)C..updated_at.|...R |
18d60 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 24 af bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.$...R....default_ |
18d80 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 12 00 00 00 02 69 6e 63 68 69 00 63 00 00 00 | fingerprint_size......inchi.c... |
18da0 | 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 38 28 32 29 32 31 | InChI=1S/C15H18Cl2N2O3/c1-8(2)21 |
18dc0 | 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 39 2d 31 34 28 32 | -12-7-11(9(16)6-10(12)17)19-14(2 |
18de0 | 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 38 48 2c 31 2d 35 | 0)22-13(18-19)15(3,4)5/h6-8H,1-5 |
18e00 | 48 33 00 00 bd 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 76 04 77 61 72 6e 69 6e | H3......._id.V..5+r.5o..v.warnin |
18e20 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 dc 01 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
18e40 | d1 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 00 1c 00 | .....0.....1;1-1-28;2-1-2;..1... |
18e60 | 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 02 32 | ..28;1-1-1;1-1-2;2-1-8;2-1-9;..2 |
18e80 | 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 31 3b | ."...2;1-1-8;1-1-9;1-1-28;2-1-1; |
18ea0 | 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 32 2d 31 2d | 2-1-6;..3.....9;1-1-2;2-1-8;2-1- |
18ec0 | 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 2d 32 3b 32 | 28;..4."...8;1-1-2;1-1-6;2-1-2;2 |
18ee0 | 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 32 3b 31 2d 31 2d | -1-9;2-1-28;..5.....6;1-1-2;1-1- |
18f00 | 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 2d 31 2d 32 3b 31 | 8;2-2-2;2-1-10;..6./...2;1-1-2;1 |
18f20 | 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 31 2d 39 3b 32 2d | -1-6;1-1-10;2-1-1;2-1-8;2-1-9;2- |
18f40 | 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 3b 31 2d 31 2d 32 | 1-28;..7.)...2;1-1-2;1-1-9;1-1-2 |
18f60 | 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 00 00 00 39 3b 31 | 8;2-2-1;2-1-6;2-1-10;..8.....9;1 |
18f80 | 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 32 38 3b 31 2d 32 | -1-2;2-1-2;2-1-28;..9.....28;1-2 |
18fa0 | 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 16 00 00 00 31 3b | -1;1-1-2;2-1-2;2-1-9;..10.....1; |
18fc0 | 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 31 00 1c 00 00 00 31 30 3b 31 | 1-1-28;2-1-1;2-1-2;..11.....10;1 |
18fe0 | 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 32 00 10 00 00 00 | -1-1;1-1-2;2-1-2;2-1-6;..12..... |
19000 | 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab | 1;1-1-10;2-1-2;....dataset_ids.. |
19020 | 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 | ....0.V..4+r.5o....1.V..:+r.5o.. |
19040 | c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 | ..2.V..:+r.5o....3.V..<+r.5o.... |
19060 | 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 | 4.V..=+r.5o....5.V..>+r.5o....6. |
19080 | 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba | V..?+r.5o....7.V..@+r.5o....8.V. |
190a0 | 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c | .A+r.5o....9.V..B+r.5o....10.V.. |
190c0 | 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 | C+r.5o.....features./....56ba0c3 |
190e0 | 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 da ed c1 14 e3 59 97 | 42b72ed356f000000......0......Y. |
19100 | 3f 00 00 02 73 6d 69 6c 65 73 00 1a 00 00 00 43 4e 43 28 3d 4f 29 4f 4e 3d 43 28 43 28 3d 4f 29 | ?...smiles.....CNC(=O)ON=C(C(=O) |
19120 | 4e 28 43 29 43 29 53 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 ce e8 bf c6 52 01 00 00 09 63 72 | N(C)C)SC..updated_at.....R....cr |
19140 | 65 61 74 65 64 5f 61 74 00 29 af bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at.)...R....default_finger |
19160 | 70 72 69 6e 74 5f 73 69 7a 65 00 0d 00 00 00 02 69 6e 63 68 69 00 46 00 00 00 49 6e 43 68 49 3d | print_size......inchi.F...InChI= |
19180 | 31 53 2f 43 37 48 31 33 4e 33 4f 33 53 2f 63 31 2d 38 2d 37 28 31 32 29 31 33 2d 39 2d 35 28 31 | 1S/C7H13N3O3S/c1-8-7(12)13-9-5(1 |
191a0 | 34 2d 34 29 36 28 31 31 29 31 30 28 32 29 33 2f 68 31 2d 34 48 33 2c 28 48 2c 38 2c 31 32 29 00 | 4-4)6(11)10(2)3/h1-4H3,(H,8,12). |
191c0 | 00 b2 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 77 04 77 61 72 6e 69 6e 67 73 00 | ......_id.V..5+r.5o..w.warnings. |
191e0 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 8e 01 00 00 04 4d 50 32 44 00 83 01 00 | ......fingerprints......MP2D.... |
19200 | 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; |
19220 | 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 |
19240 | 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 |
19260 | 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 |
19280 | 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 23 00 00 | ;..4.....18;1-1-12;2-3-8;..5.#.. |
192a0 | 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 32 2d 31 2d | .8;1-1-3;1-1-12;2-2-3;2-2-8;2-1- |
192c0 | 31 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 32 2d 33 3b 32 | 18;..6.....3;1-2-3;1-1-8;2-2-3;2 |
192e0 | 2d 31 2d 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 | -1-12;..7.....3;1-2-3;2-2-3;2-1- |
19300 | 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 31 39 3b 00 | 8;..8.....3;1-2-3;2-2-3;2-1-19;. |
19320 | 02 39 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 | .9.....3;1-2-3;1-1-19;2-2-3;2-2- |
19340 | 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 3b | 9;..10.....19;1-1-3;1-2-9;2-2-3; |
19360 | 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 00 | ..11.....9;1-1-19;2-1-3;2-1-9;.. |
19380 | 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 | ..dataset_ids......0.V..4+r.5o.. |
193a0 | 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 | ..1.V..:+r.5o....2.V..;+r.5o.... |
193c0 | 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 | 3.V..<+r.5o....4.V..<+r.5o....5. |
193e0 | 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba | V..=+r.5o....6.V..>+r.5o....7.V. |
19400 | 0c 3f 2b 72 ed 35 6f 00 01 cc 07 38 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 39 00 56 ba 0c 40 | .?+r.5o....8.V..@+r.5o....9.V..@ |
19420 | 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 | +r.5o....10.V..A+r.5o....11.V..B |
19440 | 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 | +r.5o....12.V..C+r.5o.....featur |
19460 | 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 | es.:....56ba0c342b72ed356f000000 |
19480 | 00 1b 00 00 00 01 30 00 03 87 af 17 3a 9c 88 3f 01 31 00 5f 77 d1 c4 37 a0 57 3f 00 00 02 73 6d | ......0.....:..?.1._w..7.W?...sm |
194a0 | 69 6c 65 73 00 20 00 00 00 43 43 4f 50 28 3d 53 29 28 4f 63 31 63 63 63 28 63 63 31 29 4e 28 3d | iles.....CCOP(=S)(Oc1ccc(cc1)N(= |
194c0 | 4f 29 3d 4f 29 4f 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 d0 e9 bf c6 52 01 00 00 09 63 72 | O)=O)OCC..updated_at.....R....cr |
194e0 | 65 61 74 65 64 5f 61 74 00 2f af bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at./...R....default_finger |
19500 | 70 72 69 6e 74 5f 73 69 7a 65 00 0c 00 00 00 02 69 6e 63 68 69 00 58 00 00 00 49 6e 43 68 49 3d | print_size......inchi.X...InChI= |
19520 | 31 53 2f 43 31 30 48 31 34 4e 4f 35 50 53 2f 63 31 2d 33 2d 31 34 2d 31 37 28 31 38 2c 31 35 2d | 1S/C10H14NO5PS/c1-3-14-17(18,15- |
19540 | 34 2d 32 29 31 36 2d 31 30 2d 37 2d 35 2d 39 28 36 2d 38 2d 31 30 29 31 31 28 31 32 29 31 33 2f | 4-2)16-10-7-5-9(6-8-10)11(12)13/ |
19560 | 68 35 2d 38 48 2c 33 2d 34 48 32 2c 31 2d 32 48 33 00 00 7f 02 00 00 07 5f 69 64 00 56 ba 0c 35 | h5-8H,3-4H2,1-2H3......._id.V..5 |
19580 | 2b 72 ed 35 6f 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 72 | +r.5o..x.warnings.......fingerpr |
195a0 | 69 6e 74 73 00 ae 00 00 00 04 4d 50 32 44 00 a3 00 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 | ints......MP2D......0.....15;1-1 |
195c0 | 2d 33 3b 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 35 3b | -3;2-2-3;..1.#...3;1-2-3;1-1-15; |
195e0 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 35 3b 00 02 32 00 1c 00 00 00 33 3b 31 2d 32 | 2-2-3;2-1-8;2-1-15;..2.....3;1-2 |
19600 | 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 33 00 0f 00 00 00 38 3b | -3;1-1-8;2-2-3;2-2-15;..3.....8; |
19620 | 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 34 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 1-1-3;2-2-3;..4.....3;1-2-3;1-1- |
19640 | 31 35 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 | 15;2-2-3;2-2-15;....dataset_ids. |
19660 | ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 | .....0.V..4+r.5o....1.V..:+r.5o. |
19680 | 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 | ...2.V..;+r.5o....3.V..<+r.5o... |
196a0 | 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 | .4.V..=+r.5o....5.V..=+r.5o....6 |
196c0 | 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 | .V..?+r.5o....7.V..@+r.5o....8.V |
196e0 | ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba | ..A+r.5o....9.V..B+r.5o....10.V. |
19700 | 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 | .C+r.5o.....features./....56ba0c |
19720 | 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 54 cb 26 dd 4a 39 | 342b72ed356f000000......0.T.&.J9 |
19740 | a3 3f 00 00 02 73 6d 69 6c 65 73 00 1c 00 00 00 43 6c 63 31 63 28 4f 29 63 28 43 6c 29 63 28 63 | .?...smiles.....Clc1c(O)c(Cl)c(c |
19760 | 28 63 31 43 6c 29 43 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 60 e9 bf c6 52 01 00 00 | (c1Cl)Cl)Cl..updated_at.`...R... |
19780 | 09 63 72 65 61 74 65 64 5f 61 74 00 34 af bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.4...R....default_fin |
197a0 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 05 00 00 00 02 69 6e 63 68 69 00 34 00 00 00 49 6e 43 | gerprint_size......inchi.4...InC |
197c0 | 68 49 3d 31 53 2f 43 36 48 43 6c 35 4f 2f 63 37 2d 31 2d 32 28 38 29 34 28 31 30 29 36 28 31 32 | hI=1S/C6HCl5O/c7-1-2(8)4(10)6(12 |
197e0 | 29 35 28 31 31 29 33 28 31 29 39 2f 68 31 32 48 00 00 2c 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b | )5(11)3(1)9/h12H..,...._id.V..5+ |
19800 | 72 ed 35 6f 00 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 | r.5o..y.warnings.......fingerpri |
19820 | 6e 74 73 00 3a 01 00 00 04 4d 50 32 44 00 2f 01 00 00 02 30 00 12 00 00 00 31 39 3b 31 2d 31 2d | nts.:....MP2D./....0.....19;1-1- |
19840 | 33 33 3b 32 2d 32 2d 31 39 3b 00 02 31 00 18 00 00 00 33 33 3b 31 2d 33 2d 31 39 3b 32 2d 31 2d | 33;2-2-19;..1.....33;1-3-19;2-1- |
19860 | 31 3b 32 2d 31 2d 33 33 3b 00 02 32 00 12 00 00 00 31 39 3b 31 2d 32 2d 33 33 3b 32 2d 34 2d 31 | 1;2-1-33;..2.....19;1-2-33;2-4-1 |
19880 | 39 3b 00 02 33 00 12 00 00 00 33 33 3b 31 2d 33 2d 31 39 3b 32 2d 31 2d 33 33 3b 00 02 34 00 1e | 9;..3.....33;1-3-19;2-1-33;..4.. |
198a0 | 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 31 39 3b | ...19;1-1-1;1-1-33;2-1-1;2-2-19; |
198c0 | 00 02 35 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 32 2d 31 | ..5.....1;1-1-1;1-1-19;2-1-3;2-1 |
198e0 | 2d 33 33 3b 00 02 36 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b | -33;..6.....1;1-1-1;1-1-3;2-2-3; |
19900 | 32 2d 31 2d 31 39 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 | 2-1-19;..7.....3;1-1-1;1-2-3;2-1 |
19920 | 2d 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 31 2d 31 3b 32 | -1;2-2-3;..8.....3;1-2-3;2-1-1;2 |
19940 | 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 00 00 04 64 | -2-3;..9.....3;1-2-3;2-2-3;....d |
19960 | 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 | ataset_ids......0.V..4+r.5o....1 |
19980 | 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 | .V..9+r.5o....2.V..;+r.5o....3.V |
199a0 | ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c | ..<+r.5o....4.V..=+r.5o....5.V.. |
199c0 | 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b | >+r.5o....6.V..?+r.5o....7.V..@+ |
199e0 | 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed | r.5o....8.V..A+r.5o....9.V..B+r. |
19a00 | 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 | 5o....10.V..C+r.5o.....features. |
19a20 | 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 | /....56ba0c342b72ed356f000000... |
19a40 | 00 00 01 30 00 8a 94 b2 6e ec c2 d6 3f 00 00 02 73 6d 69 6c 65 73 00 18 00 00 00 4e 3d 43 28 4e | ...0....n...?...smiles.....N=C(N |
19a60 | 43 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 64 | C(=N)N)NCCc1ccccc1..updated_at.d |
19a80 | e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 3a af bf c6 52 01 00 00 10 64 65 66 61 | ...R....created_at.:...R....defa |
19aa0 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0a 00 00 00 02 69 6e 63 68 69 00 | ult_fingerprint_size......inchi. |
19ac0 | 59 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 | Y...InChI=1S/C10H15N5/c11-9(12)1 |
19ae0 | 35 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 | 5-10(13)14-7-6-8-4-2-1-3-5-8/h1- |
19b00 | 35 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 eb 03 | 5H,6-7H2,(H6,11,12,13,14,15).... |
19b20 | 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 7a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V..5+r.5o..z.warnings.... |
19b40 | 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 01 00 00 02 30 | ...fingerprints......MP2D......0 |
19b60 | 00 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 | .....1;1-1-8;2-1-12;..1.$...8;1- |
19b80 | 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 38 3b 00 | 1-1;1-1-12;2-1-8;2-1-10;2-1-18;. |
19ba0 | 02 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 | .2.....12;1-2-8;1-1-10;1-1-18;2- |
19bc0 | 33 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 | 3-1;..3.....18;1-1-12;2-2-8;2-1- |
19be0 | 31 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 | 10;..4.%...10;1-1-1;1-1-12;2-2-8 |
19c00 | 3b 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 | ;2-1-18;2-1-28;..5.....1;1-1-10; |
19c20 | 31 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 | 1-1-28;2-2-2;2-1-12;..6.#...28;1 |
19c40 | 2d 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 | -1-1;1-2-2;2-2-3;2-2-9;2-1-10;.. |
19c60 | 37 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 | 7.(...2;1-1-3;1-1-9;1-1-28;2-1-1 |
19c80 | 3b 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 | ;2-1-2;2-2-3;..8.....9;1-1-2;2-1 |
19ca0 | 2d 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 | -3;2-1-28;..9.(...3;1-1-2;1-2-3; |
19cc0 | 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 31 30 00 15 00 | 2-1-2;2-2-3;2-1-9;2-1-28;..10... |
19ce0 | 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 31 00 0f 00 00 00 33 | ..3;1-2-3;2-1-2;2-2-3;..11.....3 |
19d00 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 | ;1-2-3;2-2-3;....dataset_ids.... |
19d20 | 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 | ..0.V..4+r.5o....1.V..9+r.5o.... |
19d40 | 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 33 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 34 00 | 2.V..:+r.5o....3.V..:+r.5o....4. |
19d60 | 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 35 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 36 00 56 ba | V..;+r.5o....5.V..<+r.5o....6.V. |
19d80 | 0c 3d 2b 72 ed 35 6f 00 01 c8 07 37 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 38 00 56 ba 0c 3f | .=+r.5o....7.V..>+r.5o....8.V..? |
19da0 | 2b 72 ed 35 6f 00 01 cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c 41 2b | +r.5o....9.V..@+r.5o....10.V..A+ |
19dc0 | 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b | r.5o....11.V..B+r.5o....12.V..C+ |
19de0 | 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 | r.5o.....features.:....56ba0c342 |
19e00 | 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 5c 60 fb 86 94 22 b0 3f 01 | b72ed356f000000......0.\`...".?. |
19e20 | 31 00 d8 13 5e 59 0b 0b 9d 3f 00 00 02 73 6d 69 6c 65 73 00 23 00 00 00 43 4f 50 28 3d 53 29 28 | 1...^Y...?...smiles.#...COP(=S)( |
19e40 | 53 43 4e 31 43 28 3d 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 | SCN1C(=O)c2c(C1=O)cccc2)OC..upda |
19e60 | 74 65 64 5f 61 74 00 7b e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 3f af bf c6 52 | ted_at.{...R....created_at.?...R |
19e80 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0c 00 00 | ....default_fingerprint_size.... |
19ea0 | 00 02 69 6e 63 68 69 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 | ..inchi.\...InChI=1S/C11H12NO4PS |
19ec0 | 32 2f 63 31 2d 31 35 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 | 2/c1-15-17(18,16-2)19-7-12-10(13 |
19ee0 | 29 38 2d 35 2d 33 2d 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 | )8-5-3-4-6-9(8)11(12)14/h3-6H,7H |
19f00 | 32 2c 31 2d 32 48 33 00 00 fa 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 7b 04 77 | 2,1-2H3......._id.V..5+r.5o..{.w |
19f20 | 61 72 6e 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 04 | arnings.......fingerprints...... |
19f40 | 4d 50 32 44 00 ef 01 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 | MP2D......0.....1;1-1-1;2-1-28;. |
19f60 | 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 2d | .1.....1;1-1-1;1-1-28;2-1-1;2-1- |
19f80 | 32 3b 00 02 32 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 32 | 2;..2."...28;1-2-1;1-1-2;2-2-1;2 |
19fa0 | 2d 31 2d 32 3b 32 2d 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 | -1-2;2-1-9;..3.)...2;1-1-2;1-1-9 |
19fc0 | 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 34 00 16 | ;1-1-28;2-2-1;2-1-2;2-1-15;..4.. |
19fe0 | 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 35 00 23 00 00 00 | ...9;1-1-2;2-1-2;2-1-28;..5.#... |
1a000 | 32 3b 31 2d 32 2d 32 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 | 2;1-2-2;1-1-15;2-1-1;2-2-9;2-1-2 |
1a020 | 38 3b 00 02 36 00 29 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 | 8;..6.)...2;1-1-1;1-1-2;1-1-9;2- |
1a040 | 31 2d 32 3b 32 2d 31 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 | 1-2;2-1-12;2-1-15;..7.(...9;1-1- |
1a060 | 32 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 32 2d 31 2d 39 | 2;1-1-12;2-1-1;2-1-2;2-2-8;2-1-9 |
1a080 | 3b 00 02 38 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 | ;..8.....12;1-2-8;1-2-9;2-2-1;2- |
1a0a0 | 31 2d 32 3b 00 02 39 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 | 1-2;..9.....9;1-1-12;2-2-8;2-1-9 |
1a0c0 | 3b 00 02 31 30 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 | ;..10.....8;1-1-1;1-1-12;2-1-8;2 |
1a0e0 | 2d 32 2d 39 3b 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 02 31 | -2-9;..11.....1;1-1-8;2-1-12;..1 |
1a100 | 32 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 33 00 10 | 2.....1;1-1-2;2-1-2;2-1-9;..13.. |
1a120 | 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 | ...15;1-1-2;2-2-2;....dataset_id |
1a140 | 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 | s......0.V..4+r.5o....1.V..:+r.5 |
1a160 | 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 | o....2.V..;+r.5o....3.V..<+r.5o. |
1a180 | 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca | ...4.V..=+r.5o....5.V..>+r.5o... |
1a1a0 | 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 | .6.V..?+r.5o....7.V..@+r.5o....8 |
1a1c0 | 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 | .V..A+r.5o....9.V..B+r.5o....10. |
1a1e0 | 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 | V..C+r.5o.....features.:....56ba |
1a200 | 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 8b ea f4 7d | 0c342b72ed356f000000......0....} |
1a220 | 8a 03 a5 3f 01 31 00 5c bf b6 29 55 80 74 3f 00 00 02 73 6d 69 6c 65 73 00 23 00 00 00 43 43 4e | ...?.1.\..)U.t?...smiles.#...CCN |
1a240 | 28 43 28 3d 4f 29 43 28 3d 43 28 4f 50 28 3d 4f 29 28 4f 43 29 4f 43 29 43 29 43 6c 29 43 43 00 | (C(=O)C(=C(OP(=O)(OC)OC)C)Cl)CC. |
1a260 | 09 75 70 64 61 74 65 64 5f 61 74 00 6a e6 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at.j...R....created_at. |
1a280 | 44 af bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | D...R....default_fingerprint_siz |
1a2a0 | 65 00 0e 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 30 48 31 39 | e......inchi.Q...InChI=1S/C10H19 |
1a2c0 | 43 6c 4e 4f 35 50 2f 63 31 2d 36 2d 31 32 28 37 2d 32 29 31 30 28 31 33 29 39 28 31 31 29 38 28 | ClNO5P/c1-6-12(7-2)10(13)9(11)8( |
1a2e0 | 33 29 31 37 2d 31 38 28 31 34 2c 31 35 2d 34 29 31 36 2d 35 2f 68 36 2d 37 48 32 2c 31 2d 35 48 | 3)17-18(14,15-4)16-5/h6-7H2,1-5H |
1a300 | 33 00 00 8a 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 7c 04 77 61 72 6e 69 6e 67 | 3......._id.V..5+r.5o..|.warning |
1a320 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 83 01 00 00 04 4d 50 32 44 00 78 | s.......fingerprints......MP2D.x |
1a340 | 01 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 1d 00 00 | ....0.....15;1-1-1;2-2-1;..1.... |
1a360 | 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 34 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 32 | .1;1-2-1;1-1-15;2-4-1;2-2-15;..2 |
1a380 | 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 32 2d 31 35 | .....1;1-3-1;1-1-15;2-5-1;2-2-15 |
1a3a0 | 3b 00 02 33 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 34 00 16 00 00 00 | ;..3.....15;1-1-1;2-3-1;..4..... |
1a3c0 | 31 3b 31 2d 33 2d 31 3b 32 2d 36 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 35 00 15 00 00 00 31 3b 31 | 1;1-3-1;2-6-1;2-1-15;..5.....1;1 |
1a3e0 | 2d 33 2d 31 3b 32 2d 35 2d 31 3b 32 2d 31 2d 38 3b 00 02 36 00 1d 00 00 00 31 3b 31 2d 33 2d 31 | -3-1;2-5-1;2-1-8;..6.....1;1-3-1 |
1a400 | 3b 31 2d 31 2d 31 35 3b 32 2d 34 2d 31 3b 32 2d 33 2d 31 35 3b 00 02 37 00 1d 00 00 00 31 3b 31 | ;1-1-15;2-4-1;2-3-15;..7.....1;1 |
1a420 | 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 38 00 1d 00 00 | -2-1;1-2-15;2-4-1;2-2-15;..8.... |
1a440 | 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 35 2d 31 3b 32 2d 33 2d 31 35 3b 00 02 39 | .1;1-3-1;1-1-15;2-5-1;2-3-15;..9 |
1a460 | 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 00 | .....1;1-2-1;1-1-8;2-4-1;2-1-8;. |
1a480 | 02 31 30 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b 00 02 31 31 00 17 00 00 00 31 | .10.....8;1-2-1;2-4-1;..11.....1 |
1a4a0 | 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 00 00 04 64 61 74 61 73 65 74 | 5;1-1-1;2-2-1;2-1-15;....dataset |
1a4c0 | 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b | _ids......0.V..4+r.5o....1.V..:+ |
1a4e0 | 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed | r.5o....2.V..;+r.5o....3.V..;+r. |
1a500 | 35 6f 00 01 c5 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f | 5o....4.V..=+r.5o....5.V..>+r.5o |
1a520 | 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 | ....6.V..?+r.5o....7.V..@+r.5o.. |
1a540 | ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 | ..8.V..A+r.5o....9.V..B+r.5o.... |
1a560 | 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 | 10.V..C+r.5o.....features./....5 |
1a580 | 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 db | 6ba0c342b72ed356f000000......0.. |
1a5a0 | 70 1a a5 e7 1b 5e 3f 00 00 02 73 6d 69 6c 65 73 00 30 00 00 00 43 6c 43 31 43 32 28 43 6c 29 43 | p....^?...smiles.0...ClC1C2(Cl)C |
1a5c0 | 33 43 34 43 35 43 31 28 43 6c 29 43 28 43 32 28 43 6c 29 43 35 43 33 43 31 43 34 4f 31 29 28 43 | 3C4C5C1(Cl)C(C2(Cl)C5C3C1C4O1)(C |
1a5e0 | 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 e2 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 | l)Cl..updated_at.....R....create |
1a600 | 64 5f 61 74 00 4a af bf c6 52 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...R....default_fingerprin |
1a620 | 74 5f 73 69 7a 65 00 0c 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 |
1a640 | 31 32 48 38 43 6c 36 4f 2f 63 31 33 2d 38 2d 39 28 31 34 29 33 2d 31 2d 34 2d 35 28 32 28 33 29 | 12H8Cl6O/c13-8-9(14)3-1-4-5(2(3) |
1a660 | 37 2d 36 28 31 29 31 39 2d 37 29 31 31 28 39 2c 31 36 29 31 32 28 31 37 2c 31 38 29 31 30 28 34 | 7-6(1)19-7)11(9,16)12(17,18)10(4 |
1a680 | 2c 38 29 31 35 2f 68 31 2d 38 48 00 00 98 02 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 | ,8)15/h1-8H......._id.V..5+r.5o. |
1a6a0 | 00 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 6e 74 73 00 d0 | .}.warnings.......fingerprints.. |
1a6c0 | 00 00 00 04 4d 50 32 44 00 c5 00 00 00 02 30 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d | ....MP2D......0.....9;1-1-2;2-1- |
1a6e0 | 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- |
1a700 | 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 00 15 00 00 00 38 3b 31 2d 32 2d 32 3b | 1-9;2-1-2;2-2-3;..2.....8;1-2-2; |
1a720 | 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 33 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d | 2-2-3;2-2-9;..3.'...3;1-1-2;1-2- |
1a740 | 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 34 00 15 00 | 3;2-1-2;2-2-3;2-1-8;2-1-9;..4... |
1a760 | 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 0f 00 00 00 33 3b | ..3;1-2-3;2-1-2;2-2-3;..5.....3; |
1a780 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 | 1-2-3;2-2-3;....dataset_ids..... |
1a7a0 | 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 | .0.V..4+r.5o....1.V..:+r.5o....2 |
1a7c0 | 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 | .V..;+r.5o....3.V..<+r.5o....4.V |
1a7e0 | ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba 0c | ..=+r.5o....5.V..=+r.5o....6.V.. |
1a800 | 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b | ?+r.5o....7.V..@+r.5o....8.V..A+ |
1a820 | 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 | r.5o....9.V..B+r.5o....10.V..C+r |
1a840 | ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 | .5o.....features./....56ba0c342b |
1a860 | 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 ad 79 78 d4 42 00 20 40 00 00 | 72ed356f000000......0..yx.B..@.. |
1a880 | 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 63 32 00 | .smiles.....O=C1OC(=O)c2c1cccc2. |
1a8a0 | 09 75 70 64 61 74 65 64 5f 61 74 00 8a e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at.....R....created_at. |
1a8c0 | 4f af bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | O...R....default_fingerprint_siz |
1a8e0 | 65 00 06 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 34 4f 33 | e......inchi.3...InChI=1S/C8H4O3 |
1a900 | 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 2f 68 31 | /c9-7-5-3-1-2-4-6(5)8(10)11-7/h1 |
1a920 | 2d 34 48 00 00 8e 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 7e 04 77 61 72 6e 69 | -4H......._id.V..5+r.5o..~.warni |
1a940 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a6 01 00 00 04 4d 50 32 44 | ngs.......fingerprints......MP2D |
1a960 | 00 9b 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 33 | ......0.....32;1-1-2;2-1-3;2-1-3 |
1a980 | 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 33 3b 32 | 2;..1.....2;1-1-3;1-2-32;2-1-3;2 |
1a9a0 | 2d 31 2d 31 31 3b 00 02 32 00 2a 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d | -1-11;..2.*...3;1-1-2;1-1-3;1-1- |
1a9c0 | 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 33 00 1d 00 00 00 31 | 11;2-2-3;2-1-15;2-2-32;..3.....1 |
1a9e0 | 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 34 00 24 | 1;1-2-3;2-1-2;2-2-3;2-1-15;..4.$ |
1aa00 | 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 32 | ...3;1-1-3;1-1-11;1-1-15;2-2-3;2 |
1aa20 | 2d 31 2d 31 35 3b 00 02 35 00 17 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 | -1-15;..5.....15;1-1-3;2-1-3;2-1 |
1aa40 | 2d 31 31 3b 00 02 36 00 2b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 33 | -11;..6.+...3;1-2-3;1-1-15;2-1-3 |
1aa60 | 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 31 39 3b 00 02 37 00 1d 00 00 00 33 3b | ;2-1-11;2-1-15;2-1-19;..7.....3; |
1aa80 | 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 38 00 2a 00 | 1-2-3;1-1-19;2-2-3;2-2-15;..8.*. |
1aaa0 | 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 31 | ..3;1-2-3;1-1-15;2-1-2;2-1-3;2-1 |
1aac0 | 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 32 2d | -11;2-1-19;..9.....15;1-1-3;2-2- |
1aae0 | 33 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 04 64 61 | 3;..10.....19;1-1-3;2-2-3;....da |
1ab00 | 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 | taset_ids......0.V..4+r.5o....1. |
1ab20 | 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba | V..:+r.5o....2.V..;+r.5o....3.V. |
1ab40 | 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3e | .<+r.5o....4.V..<+r.5o....5.V..> |
1ab60 | 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 | +r.5o....6.V..?+r.5o....7.V..@+r |
1ab80 | ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 | .5o....8.V..A+r.5o....9.V..B+r.5 |
1aba0 | 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f | o....10.V..C+r.5o.....features./ |
1abc0 | 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 | ....56ba0c342b72ed356f000000.... |
1abe0 | 00 01 30 00 47 79 e7 32 7e ce cf 3f 00 00 02 73 6d 69 6c 65 73 00 1c 00 00 00 4f 43 28 3d 4f 29 | ..0.Gy.2~..?...smiles.....OC(=O) |
1ac00 | 63 31 6e 63 28 43 6c 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 | c1nc(Cl)c(c(c1Cl)N)Cl..updated_a |
1ac20 | 74 00 43 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 55 af bf c6 52 01 00 00 10 64 | t.C...R....created_at.U...R....d |
1ac40 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0b 00 00 00 02 69 6e 63 | efault_fingerprint_size......inc |
1ac60 | 68 69 00 4b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 33 43 6c 33 4e 32 4f 32 2f 63 37 2d 31 | hi.K...InChI=1S/C6H3Cl3N2O2/c7-1 |
1ac80 | 2d 33 28 31 30 29 32 28 38 29 35 28 39 29 31 31 2d 34 28 31 29 36 28 31 32 29 31 33 2f 68 28 48 | -3(10)2(8)5(9)11-4(1)6(12)13/h(H |
1aca0 | 32 2c 31 30 2c 31 31 29 28 48 2c 31 32 2c 31 33 29 00 00 49 04 00 00 07 5f 69 64 00 56 ba 0c 35 | 2,10,11)(H,12,13)..I...._id.V..5 |
1acc0 | 2b 72 ed 35 6f 00 00 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 | +r.5o....warnings.......fingerpr |
1ace0 | 69 6e 74 73 00 22 02 00 00 04 4d 50 32 44 00 17 02 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d | ints."....MP2D......0.....1;1-1- |
1ad00 | 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 39 3b | 1;2-1-19;..1.....1;1-1-1;1-1-19; |
1ad20 | 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 00 1d 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 | 2-1-1;2-1-3;..2.....19;1-2-1;1-1 |
1ad40 | 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 31 31 3b 00 02 33 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 | -3;2-2-1;2-2-11;..3.....3;1-2-11 |
1ad60 | 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 24 00 00 00 31 31 3b 31 | ;1-1-19;2-2-1;2-2-3;..4.$...11;1 |
1ad80 | 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 | -2-3;2-1-3;2-1-8;2-1-11;2-1-19;. |
1ada0 | 02 35 00 23 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d | .5.#...3;1-1-3;1-1-8;1-1-11;2-2- |
1adc0 | 33 3b 32 2d 31 2d 31 32 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 | 3;2-1-12;..6.....3;1-2-3;2-1-1;2 |
1ade0 | 2d 31 2d 38 3b 32 2d 32 2d 31 31 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -1-8;2-2-11;..7.....3;1-1-1;1-1- |
1ae00 | 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 38 00 24 00 00 00 31 31 3b 31 2d 32 2d 33 3b | 3;1-1-11;2-2-3;..8.$...11;1-2-3; |
1ae20 | 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 39 00 16 00 | 2-1-1;2-1-3;2-1-11;2-1-19;..9... |
1ae40 | 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 2a 00 00 00 | ..1;1-1-3;2-1-3;2-1-11;..10.*... |
1ae60 | 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 31 | 8;1-1-3;1-1-12;2-1-3;2-2-8;2-1-1 |
1ae80 | 31 3b 32 2d 31 2d 31 38 3b 00 02 31 31 00 1d 00 00 00 31 32 3b 31 2d 33 2d 38 3b 31 2d 31 2d 31 | 1;2-1-18;..11.....12;1-3-8;1-1-1 |
1aea0 | 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 32 00 11 00 00 00 31 38 3b 31 2d 31 2d 31 32 | 8;2-2-1;2-1-3;..12.....18;1-1-12 |
1aec0 | 3b 32 2d 33 2d 38 3b 00 02 31 33 00 1d 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 | ;2-3-8;..13.....8;1-1-1;1-1-12;2 |
1aee0 | 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 31 34 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 | -2-8;2-1-18;..14.....1;1-1-8;2-1 |
1af00 | 2d 31 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b | -12;....dataset_ids......0.V..4+ |
1af20 | 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed | r.5o....1.V..:+r.5o....2.V..;+r. |
1af40 | 35 6f 00 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f | 5o....3.V..;+r.5o....4.V..<+r.5o |
1af60 | 00 01 c6 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 | ....5.V..=+r.5o....6.V..>+r.5o.. |
1af80 | ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 38 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 | ..7.V..?+r.5o....8.V..@+r.5o.... |
1afa0 | 39 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 30 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 | 9.V..A+r.5o....10.V..B+r.5o....1 |
1afc0 | 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 | 1.V..B+r.5o....12.V..C+r.5o..... |
1afe0 | 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 | features.:....56ba0c342b72ed356f |
1b000 | 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 c1 d7 b2 76 bf c4 80 3f 01 31 00 43 15 d8 fa fd 23 a7 | 000000......0....v...?.1.C....#. |
1b020 | 3f 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 28 6e 31 29 43 29 | ?...smiles.!...CCN(c1nc(cc(n1)C) |
1b040 | 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 74 00 56 ea bf c6 | OP(=S)(OC)OC)CC..updated_at.V... |
1b060 | 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 5a af bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 | R....created_at.Z...R....default |
1b080 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0f 00 00 00 02 69 6e 63 68 69 00 5a 00 00 | _fingerprint_size......inchi.Z.. |
1b0a0 | 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 36 2d 31 34 28 37 | .InChI=1S/C11H20N3O3PS/c1-6-14(7 |
1b0c0 | 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 2d 31 38 28 31 39 | -2)11-12-9(3)8-10(13-11)17-18(19 |
1b0e0 | 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 00 00 ef 02 00 00 | ,15-4)16-5/h8H,6-7H2,1-5H3...... |
1b100 | 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 80 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V..5+r.5o....warnings...... |
1b120 | 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 10 | .fingerprints......MP2D......0.. |
1b140 | 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- |
1b160 | 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 |
1b180 | 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 2d | -2-3;2-1-19;..3.....3;1-2-3;2-3- |
1b1a0 | 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 31 2d 31 31 3b 00 | 3;..4.....3;1-3-3;2-3-3;2-1-11;. |
1b1c0 | 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 33 3b 00 02 36 00 | .5.....3;1-2-3;1-1-11;2-4-3;..6. |
1b1e0 | 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 2d 31 2d 31 39 3b | ....3;1-2-3;2-2-3;2-1-11;2-1-19; |
1b200 | 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 00 0f 00 00 00 33 | ..7.....11;1-2-3;2-4-3;..8.....3 |
1b220 | 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 | ;1-2-3;2-4-3;....dataset_ids.... |
1b240 | 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 | ..0.V..4+r.5o....1.V..:+r.5o.... |
1b260 | 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 | 2.V..:+r.5o....3.V..<+r.5o....4. |
1b280 | 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba | V..=+r.5o....5.V..>+r.5o....6.V. |
1b2a0 | 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 | .?+r.5o....7.V..@+r.5o....8.V..A |
1b2c0 | 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b | +r.5o....9.V..B+r.5o....10.V..C+ |
1b2e0 | 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 | r.5o.....features./....56ba0c342 |
1b300 | 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 a4 ce 05 bb 32 c0 cc 3f 00 | b72ed356f000000......0.....2..?. |
1b320 | 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 |
1b340 | 29 63 63 63 28 63 31 29 4e 00 09 75 70 64 61 74 65 64 5f 61 74 00 ab e8 bf c6 52 01 00 00 09 63 | )ccc(c1)N..updated_at.....R....c |
1b360 | 72 65 61 74 65 64 5f 61 74 00 60 af bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.`...R....default_finge |
1b380 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 09 00 00 00 02 69 6e 63 68 69 00 4f 00 00 00 49 6e 43 68 49 | rprint_size......inchi.O...InChI |
1b3a0 | 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- |
1b3c0 | 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 |
1b3e0 | 48 2c 31 34 2d 31 35 48 32 00 00 86 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 81 | H,14-15H2......._id.V..5+r.5o... |
1b400 | 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 75 01 00 | .warnings.......fingerprints.u.. |
1b420 | 00 04 4d 50 32 44 00 6a 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.j....0.....1;1-1-1;2-1-2; |
1b440 | 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- |
1b460 | 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; |
1b480 | 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- |
1b4a0 | 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; |
1b4c0 | 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- |
1b4e0 | 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 |
1b500 | 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- |
1b520 | 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 |
1b540 | 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 |
1b560 | 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 30 00 10 00 00 00 | -3;2-2-3;2-1-15;2-1-28;..10..... |
1b580 | 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb | 15;1-1-3;2-2-3;....dataset_ids.. |
1b5a0 | 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 | ....0.V..4+r.5o....1.V..:+r.5o.. |
1b5c0 | c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 | ..2.V..;+r.5o....3.V..<+r.5o.... |
1b5e0 | 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 | 4.V..<+r.5o....5.V..=+r.5o....6. |
1b600 | 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 38 00 56 ba | V..>+r.5o....7.V..?+r.5o....8.V. |
1b620 | 0c 3f 2b 72 ed 35 6f 00 01 cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c | .?+r.5o....9.V..@+r.5o....10.V.. |
1b640 | 41 2b 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c | A+r.5o....11.V..B+r.5o....12.V.. |
1b660 | 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 | C+r.5o.....features.:....56ba0c3 |
1b680 | 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 de 68 44 7b 46 7a b7 | 42b72ed356f000000......0..hD{Fz. |
1b6a0 | 3f 01 31 00 d3 96 1a f5 c2 4d d6 3f 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 43 43 43 28 3d 4f | ?.1......M.?...smiles.....CCC(=O |
1b6c0 | 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 b1 | )Nc1ccc(c(c1)Cl)Cl..updated_at.. |
1b6e0 | e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 65 af bf c6 52 01 00 00 10 64 65 66 61 | ...R....created_at.e...R....defa |
1b700 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0b 00 00 00 02 69 6e 63 68 69 00 | ult_fingerprint_size......inchi. |
1b720 | 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 33 | L...InChI=1S/C9H9Cl2NO/c1-2-9(13 |
1b740 | 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 48 | )12-6-3-4-7(10)8(11)5-6/h3-5H,2H |
1b760 | 32 2c 31 48 33 2c 28 48 2c 31 32 2c 31 33 29 00 00 1d 05 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 | 2,1H3,(H,12,13)......._id.V..5+r |
1b780 | ed 35 6f 00 00 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 | .5o....warnings.......fingerprin |
1b7a0 | 74 73 00 d6 02 00 00 04 4d 50 32 44 00 cb 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; |
1b7c0 | 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 00 | 2-1-1;..1.....1;1-2-1;2-1-1;..2. |
1b7e0 | 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 00 | ....1;1-2-1;2-2-1;2-1-8;..3..... |
1b800 | 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 00 | 1;1-2-1;1-1-8;2-2-1;2-1-8;..4... |
1b820 | 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 00 | ..1;1-1-1;1-1-8;2-2-1;2-1-8;..5. |
1b840 | 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 02 | ....8;1-2-1;2-2-1;2-1-3;2-1-8;.. |
1b860 | 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 3b | 6.(...1;1-1-1;1-1-3;1-2-8;2-2-1; |
1b880 | 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 33 | 2-2-3;2-1-11;..7.....8;1-2-1;2-3 |
1b8a0 | 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 31 | -1;2-1-3;2-1-8;..8.#...1;1-1-1;1 |
1b8c0 | 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 00 | -1-11;2-2-3;2-2-8;2-1-11;..9.*.. |
1b8e0 | 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 |
1b900 | 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 2d | -3;2-1-11;..10.....3;1-2-11;2-1- |
1b920 | 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 33 | 1;2-1-3;2-1-11;..11.....11;1-2-3 |
1b940 | 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 3b | ;2-2-11;..12.....3;1-2-11;2-1-3; |
1b960 | 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 3b | 2-1-11;..13.$...11;1-1-3;1-1-11; |
1b980 | 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 2d | 2-1-1;2-1-3;2-1-11;..14.(...3;1- |
1b9a0 | 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 2d | 1-1;1-2-3;2-1-1;2-2-3;2-2-8;2-1- |
1b9c0 | 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 3b | 15;..15.....3;1-2-3;2-1-1;2-2-3; |
1b9e0 | 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 02 | ..16.....3;1-2-3;2-2-3;2-1-15;.. |
1ba00 | 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 38 | 17.....3;1-2-3;1-1-15;2-2-3;..18 |
1ba20 | 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 1c | .....3;1-2-3;2-2-3;2-2-15;..19.. |
1ba40 | 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 02 | ...3;1-2-3;1-1-15;2-1-1;2-2-3;.. |
1ba60 | 32 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 | 20.....15;1-1-3;2-2-3;....datase |
1ba80 | 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 | t_ids......0.V..4+r.5o....1.V..9 |
1baa0 | 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 33 00 56 ba 0c 3b 2b 72 | +r.5o....2.V..:+r.5o....3.V..;+r |
1bac0 | ed 35 6f 00 01 c4 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 ba 0c 3d 2b 72 ed 35 | .5o....4.V..<+r.5o....5.V..=+r.5 |
1bae0 | 6f 00 01 c8 07 36 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 | o....6.V..>+r.5o....7.V..?+r.5o. |
1bb00 | 01 cc 07 38 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 39 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 | ...8.V..@+r.5o....9.V..A+r.5o... |
1bb20 | 07 31 30 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 31 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 | .10.V..B+r.5o....11.V..C+r.5o... |
1bb40 | 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 | .12.V..C+r.5o.....features.:.... |
1bb60 | 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 | 56ba0c342b72ed356f000000......0. |
1bb80 | 63 f9 c8 e8 8e b3 b2 3f 01 31 00 5f 18 1d 50 0e f4 d1 3f 00 00 02 73 6d 69 6c 65 73 00 25 00 00 | c......?.1._..P...?...smiles.%.. |
1bba0 | 00 43 43 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 | .CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1 |
1bbc0 | 43 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 48 e8 bf c6 52 01 00 00 09 63 72 65 61 74 | Cl)Cl..updated_at.H...R....creat |
1bbe0 | 65 64 5f 61 74 00 6b af bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at.k...R....default_fingerpri |
1bc00 | 6e 74 5f 73 69 7a 65 00 15 00 00 00 02 69 6e 63 68 69 00 76 00 00 00 49 6e 43 68 49 3d 31 53 2f | nt_size......inchi.v...InChI=1S/ |
1bc20 | 43 31 35 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 | C15H17Cl2N3O2/c1-2-3-12-7-21-15( |
1bc40 | 32 32 2d 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 | 22-12,8-20-10-18-9-19-20)13-5-4- |
1bc60 | 31 31 28 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 | 11(16)6-14(13)17/h4-6,9-10,12H,2 |
1bc80 | 2d 33 2c 37 2d 38 48 32 2c 31 48 33 00 00 f2 02 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f | -3,7-8H2,1H3......._id.V..5+r.5o |
1bca0 | 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 70 72 69 6e 74 73 00 | ....warnings.......fingerprints. |
1bcc0 | 2d 01 00 00 04 4d 50 32 44 00 22 01 00 00 02 30 00 16 00 00 00 32 38 3b 31 2d 31 2d 32 3b 32 2d | -....MP2D."....0.....28;1-1-2;2- |
1bce0 | 31 2d 33 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 | 1-3;2-1-9;..1.#...2;1-1-3;1-1-9; |
1bd00 | 31 2d 31 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 | 1-1-28;2-1-3;2-1-11;..2.....9;1- |
1bd20 | 31 2d 32 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 | 1-2;2-1-3;2-1-28;..3.0...3;1-1-2 |
1bd40 | 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 31 | ;1-1-3;1-1-11;2-1-3;2-1-9;2-1-11 |
1bd60 | 3b 32 2d 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 | ;2-1-28;..4.#...3;1-1-3;1-1-11;2 |
1bd80 | 2d 31 2d 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 | -1-2;2-1-3;2-1-11;..5.....11;1-2 |
1bda0 | 2d 33 3b 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 | -3;2-2-3;..6.....3;1-1-3;1-1-11; |
1bdc0 | 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 37 00 16 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d | 2-1-3;2-1-11;..7.....11;1-2-3;2- |
1bde0 | 31 2d 32 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 | 1-2;2-2-3;....dataset_ids......0 |
1be00 | 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 | .V..4+r.5o....1.V..:+r.5o....2.V |
1be20 | ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c | ..;+r.5o....3.V..<+r.5o....4.V.. |
1be40 | 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b | <+r.5o....5.V..>+r.5o....6.V..?+ |
1be60 | 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed | r.5o....7.V..@+r.5o....8.V..A+r. |
1be80 | 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 | 5o....9.V..B+r.5o....10.V..C+r.5 |
1bea0 | 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 | o.....features./....56ba0c342b72 |
1bec0 | 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 95 97 05 85 92 a2 19 40 00 00 02 73 | ed356f000000......0........@...s |
1bee0 | 6d 69 6c 65 73 00 0f 00 00 00 4e 43 28 3d 4f 29 63 31 63 6e 63 63 6e 31 00 09 75 70 64 61 74 65 | miles.....NC(=O)c1cnccn1..update |
1bf00 | 64 5f 61 74 00 2c e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 70 af bf c6 52 01 00 | d_at.,...R....created_at.p...R.. |
1bf20 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 08 00 00 00 02 | ..default_fingerprint_size...... |
1bf40 | 69 6e 63 68 69 00 35 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 35 4e 33 4f 2f 63 36 2d 35 28 | inchi.5...InChI=1S/C5H5N3O/c6-5( |
1bf60 | 39 29 34 2d 33 2d 37 2d 31 2d 32 2d 38 2d 34 2f 68 31 2d 33 48 2c 28 48 32 2c 36 2c 39 29 00 00 | 9)4-3-7-1-2-8-4/h1-3H,(H2,6,9).. |
1bf80 | 0c 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 84 04 77 61 72 6e 69 6e 67 73 00 05 | ....._id.V..5+r.5o....warnings.. |
1bfa0 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ff 01 00 00 04 4d 50 32 44 00 f4 01 00 00 | .....fingerprints......MP2D..... |
1bfc0 | 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 00 33 3b 31 | .0.....8;1-1-3;2-2-3;..1.....3;1 |
1bfe0 | 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 2d 32 2d 33 | -2-3;1-1-8;2-2-3;..2.....3;1-2-3 |
1c000 | 3b 32 2d 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 31 2d 31 | ;2-2-3;2-2-8;..3.....3;1-2-3;1-1 |
1c020 | 2d 38 3b 32 2d 33 2d 33 3b 00 02 34 00 1b 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 33 2d 33 3b 32 | -8;2-3-3;..4.....3;1-3-3;2-3-3;2 |
1c040 | 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 | -1-8;2-2-9;..5.....3;1-2-3;1-1-9 |
1c060 | 3b 32 2d 34 2d 33 3b 00 02 36 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;..6.....3;1-2-3;2-2-3;2-1 |
1c080 | 2d 38 3b 32 2d 31 2d 39 3b 00 02 37 00 0f 00 00 00 39 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 | -8;2-1-9;..7.....9;1-2-3;2-4-3;. |
1c0a0 | 02 38 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 | .8.....3;1-2-3;1-1-9;2-4-3;2-1-8 |
1c0c0 | 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 2d 32 | ;..9.....3;1-2-3;1-1-8;2-2-3;2-2 |
1c0e0 | 2d 39 3b 00 02 31 30 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 33 2d 33 3b | -9;..10.....3;1-2-3;1-1-9;2-3-3; |
1c100 | 32 2d 31 2d 38 3b 00 02 31 31 00 0f 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 | 2-1-8;..11.....9;1-1-3;2-2-3;..1 |
1c120 | 32 00 15 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 31 33 00 0f | 2.....3;1-3-3;2-3-3;2-1-9;..13.. |
1c140 | 00 00 00 33 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 32 2d | ...3;1-2-3;2-3-3;..14.....3;1-2- |
1c160 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 35 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 3;2-2-3;2-1-8;..15.....3;1-2-3;1 |
1c180 | 2d 31 2d 38 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 | -1-8;2-2-3;2-1-8;..16.....3;1-2- |
1c1a0 | 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 | 3;2-3-3;2-1-8;....dataset_ids... |
1c1c0 | 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 | ...0.V..4+r.5o....1.V..:+r.5o... |
1c1e0 | 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 | .2.V..;+r.5o....3.V..<+r.5o....4 |
1c200 | 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 | .V..=+r.5o....5.V..>+r.5o....6.V |
1c220 | ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c | ..?+r.5o....7.V..@+r.5o....8.V.. |
1c240 | 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 | A+r.5o....9.V..B+r.5o....10.V..C |
1c260 | 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 | +r.5o.....features./....56ba0c34 |
1c280 | 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 e0 da db fe 5c eb 1a 40 | 2b72ed356f000000......0.....\..@ |
1c2a0 | 00 00 02 73 6d 69 6c 65 73 00 2a 00 00 00 4f 63 31 63 63 28 4f 29 63 32 63 28 63 31 29 6f 63 28 | ...smiles.*...Oc1cc(O)c2c(c1)oc( |
1c2c0 | 63 28 63 32 3d 4f 29 4f 29 63 31 63 63 63 28 63 28 63 31 29 4f 29 4f 00 09 75 70 64 61 74 65 64 | c(c2=O)O)c1ccc(c(c1)O)O..updated |
1c2e0 | 5f 61 74 00 c6 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 76 af bf c6 52 01 00 00 | _at.....R....created_at.v...R... |
1c300 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 11 00 00 00 02 69 | .default_fingerprint_size......i |
1c320 | 6e 63 68 69 00 62 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 31 30 4f 37 2f 63 31 36 2d 37 | nchi.b...InChI=1S/C15H10O7/c16-7 |
1c340 | 2d 34 2d 31 30 28 31 39 29 31 32 2d 31 31 28 35 2d 37 29 32 32 2d 31 35 28 31 34 28 32 31 29 31 | -4-10(19)12-11(5-7)22-15(14(21)1 |
1c360 | 33 28 31 32 29 32 30 29 36 2d 31 2d 32 2d 38 28 31 37 29 39 28 31 38 29 33 2d 36 2f 68 31 2d 35 | 3(12)20)6-1-2-8(17)9(18)3-6/h1-5 |
1c380 | 2c 31 36 2d 31 39 2c 32 31 48 00 00 a3 02 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 | ,16-19,21H......._id.V..5+r.5o.. |
1c3a0 | 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 e6 00 | ..warnings.......fingerprints... |
1c3c0 | 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 2d 31 2d 31 | ...MP2D......0.....1;1-1-1;2-1-1 |
1c3e0 | 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 3b 31 2d 31 | ;2-1-4;2-1-8;..1.!...1;1-2-1;1-1 |
1c400 | 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 00 34 3b 31 | -4;1-1-8;2-1-1;2-1-4;..2.....4;1 |
1c420 | 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 00 00 00 34 | -1-1;1-1-4;2-2-1;2-1-8;..3.....4 |
1c440 | 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 3b 32 2d 31 | ;1-1-4;2-1-1;..4.....1;1-2-1;2-1 |
1c460 | 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 2d 31 3b 32 | -1;2-1-4;2-1-8;..5.....1;1-1-1;2 |
1c480 | 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 2d 31 2d 34 | -1-1;..6.....8;1-1-1;2-2-1;2-1-4 |
1c4a0 | 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 | ;....dataset_ids......0.V..4+r.5 |
1c4c0 | 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 | o....1.V..:+r.5o....2.V..;+r.5o. |
1c4e0 | 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 | ...3.V..<+r.5o....4.V..=+r.5o... |
1c500 | 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 | .5.V..>+r.5o....6.V..?+r.5o....7 |
1c520 | 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 39 00 56 | .V..@+r.5o....8.V..A+r.5o....9.V |
1c540 | ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 | ..B+r.5o....10.V..C+r.5o.....fea |
1c560 | 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 | tures./....56ba0c342b72ed356f000 |
1c580 | 30 30 30 00 10 00 00 00 01 30 00 9d 83 79 59 3e ff dd 3f 00 00 02 73 6d 69 6c 65 73 00 0d 00 00 | 000......0...yY>..?...smiles.... |
1c5a0 | 00 43 43 28 43 23 43 29 28 43 43 29 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 2e ea bf c6 52 01 | .CC(C#C)(CC)O..updated_at.....R. |
1c5c0 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 7a af bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at.z...R....default_f |
1c5e0 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 07 00 00 00 02 69 6e 63 68 69 00 2f 00 00 00 49 | ingerprint_size......inchi./...I |
1c600 | 6e 43 68 49 3d 31 53 2f 43 36 48 31 30 4f 2f 63 31 2d 34 2d 36 28 33 2c 37 29 35 2d 32 2f 68 31 | nChI=1S/C6H10O/c1-4-6(3,7)5-2/h1 |
1c620 | 2c 37 48 2c 35 48 32 2c 32 2d 33 48 33 00 00 f1 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 | ,7H,5H2,2-3H3......._id.V..5+r.5 |
1c640 | 6f 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 6e 74 73 | o....warnings.......fingerprints |
1c660 | 00 a3 02 00 00 04 4d 50 32 44 00 98 02 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- |
1c680 | 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 3b | 1-8;..1.....1;1-1-1;1-1-8;2-1-2; |
1c6a0 | 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 2d | ..2.!...8;1-1-1;1-1-2;2-1-1;2-1- |
1c6c0 | 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 2d | 3;2-1-9;..3.!...2;1-1-3;1-1-8;1- |
1c6e0 | 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 3b | 1-9;2-1-1;2-2-3;..4.....9;1-1-2; |
1c700 | 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 2d | 2-1-3;2-1-8;..5.'...3;1-1-2;1-2- |
1c720 | 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 00 | 3;2-1-2;2-2-3;2-1-8;2-1-9;..6... |
1c740 | 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 3b | ..3;1-2-3;2-1-2;2-2-3;..7.....3; |
1c760 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 1b 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d | 1-2-3;2-2-3;..8.....3;1-1-2;1-2- |
1c780 | 33 3b 32 2d 31 2d 32 3b 32 2d 34 2d 33 3b 00 02 39 00 0f 00 00 00 32 3b 31 2d 33 2d 33 3b 32 2d | 3;2-1-2;2-4-3;..9.....2;1-3-3;2- |
1c7a0 | 36 2d 33 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 34 2d 33 | 6-3;..10.....3;1-1-2;1-2-3;2-4-3 |
1c7c0 | 3b 32 2d 31 2d 38 3b 00 02 31 31 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d | ;2-1-8;..11.....3;1-2-3;2-1-1;2- |
1c7e0 | 31 2d 32 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 | 1-2;2-2-3;..12.....3;1-1-1;1-2-3 |
1c800 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 | ;2-2-3;2-1-19;..13.....1;1-1-3;2 |
1c820 | 2d 32 2d 33 3b 00 02 31 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 | -2-3;..14.....3;1-2-3;1-1-19;2-2 |
1c840 | 2d 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 32 2d 33 3b | -1;2-2-3;..15.....3;1-2-3;2-2-3; |
1c860 | 32 2d 31 2d 38 3b 32 2d 31 2d 31 39 3b 00 02 31 36 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 2-1-8;2-1-19;..16.....3;1-2-3;1- |
1c880 | 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 02 31 37 00 0f 00 00 00 38 3b 31 2d 32 2d 33 | 1-8;2-1-2;2-3-3;..17.....8;1-2-3 |
1c8a0 | 3b 32 2d 34 2d 33 3b 00 02 31 38 00 1c 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 | ;2-4-3;..18.....19;1-1-1;1-1-3;2 |
1c8c0 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 39 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -1-1;2-2-3;..19.....1;1-1-1;1-1- |
1c8e0 | 31 39 3b 32 2d 31 2d 33 3b 00 02 32 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 39 | 19;2-1-3;..20.....1;1-1-1;2-1-19 |
1c900 | 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 | ;....dataset_ids......0.V..4+r.5 |
1c920 | 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 | o....1.V..:+r.5o....2.V..;+r.5o. |
1c940 | 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 | ...3.V..<+r.5o....4.V..<+r.5o... |
1c960 | 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 | .5.V..>+r.5o....6.V..?+r.5o....7 |
1c980 | 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 | .V..@+r.5o....8.V..A+r.5o....9.V |
1c9a0 | ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 | ..B+r.5o....10.V..C+r.5o.....fea |
1c9c0 | 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 | tures./....56ba0c342b72ed356f000 |
1c9e0 | 30 30 30 00 10 00 00 00 01 30 00 5a 30 33 2a 0b b4 9b 3f 00 00 02 73 6d 69 6c 65 73 00 39 00 00 | 000......0.Z03*...?...smiles.9.. |
1ca00 | 00 43 43 4f 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 | .CCOC(=O)c1ccccc1C1=c2cc(C)c(cc2 |
1ca20 | 3d 5b 4f 5d 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 | =[O]c2c1cc(C)c(c2)NCC)NCC..updat |
1ca40 | 65 64 5f 61 74 00 4c e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 81 af bf c6 52 01 | ed_at.L...R....created_at.....R. |
1ca60 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 15 00 00 00 | ...default_fingerprint_size..... |
1ca80 | 02 69 6e 63 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 | .inchi.....InChI=1S/C28H31N2O3/c |
1caa0 | 31 2d 36 2d 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 | 1-6-29-23-15-25-21(13-17(23)4)27 |
1cac0 | 28 31 39 2d 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 | (19-11-9-10-12-20(19)28(31)32-8- |
1cae0 | 33 29 32 32 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 | 3)22-14-18(5)24(30-7-2)16-26(22) |
1cb00 | 33 33 2d 32 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 | 33-25/h9-16,29-30H,6-8H2,1-5H3.. |
1cb20 | 51 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 87 04 77 61 72 6e 69 6e 67 73 00 05 | Q...._id.V..5+r.5o....warnings.. |
1cb40 | 00 00 00 00 03 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 | .....fingerprints.x....MP2D.m... |
1cb60 | 02 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 00 | .0.....9;1-1-2;2-1-3;2-1-28;..1. |
1cb80 | 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 33 3b 32 | #...2;1-1-3;1-1-9;1-1-28;2-2-3;2 |
1cba0 | 2d 31 2d 33 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 | -1-30;..2.....28;1-1-2;1-1-30;2- |
1cbc0 | 32 2d 33 3b 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 | 2-3;2-3-9;..3.#...30;1-1-3;1-2-9 |
1cbe0 | 3b 31 2d 31 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 | ;1-1-28;2-1-2;2-2-3;..4.....9;1- |
1cc00 | 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 35 00 29 00 00 00 | 1-30;2-1-3;2-1-9;2-1-28;..5.)... |
1cc20 | 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 |
1cc40 | 3b 32 2d 31 2d 32 38 3b 00 02 36 00 29 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d | ;2-1-28;..6.)...3;1-1-2;1-2-3;2- |
1cc60 | 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 37 00 15 00 00 00 | 2-3;2-1-9;2-1-28;2-1-30;..7..... |
1cc80 | 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 3b 31 2d | 3;1-2-3;2-1-2;2-2-3;..8.....3;1- |
1cca0 | 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 3b 32 2d 32 2d 33 3b | 2-3;2-2-3;..9.....3;1-2-3;2-2-3; |
1ccc0 | 32 2d 31 2d 33 30 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba | 2-1-30;....dataset_ids......0.V. |
1cce0 | 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b | .4+r.5o....1.V..:+r.5o....2.V..; |
1cd00 | 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 | +r.5o....3.V..<+r.5o....4.V..=+r |
1cd20 | ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 ed 35 | .5o....5.V..=+r.5o....6.V..?+r.5 |
1cd40 | 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 | o....7.V..@+r.5o....8.V..A+r.5o. |
1cd60 | 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 | ...9.V..B+r.5o....10.V..C+r.5o.. |
1cd80 | d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 | ...features./....56ba0c342b72ed3 |
1cda0 | 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 10 02 97 d0 c9 a9 33 40 00 00 02 73 6d 69 6c | 56f000000......0.......3@...smil |
1cdc0 | 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 63 63 63 63 32 00 09 | es.....O=C1NS(=O)(=O)c2c1cccc2.. |
1cde0 | 75 70 64 61 74 65 64 5f 61 74 00 51 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 86 | updated_at.Q...R....created_at.. |
1ce00 | af bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | ...R....default_fingerprint_size |
1ce20 | 00 0a 00 00 00 02 69 6e 63 68 69 00 40 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 35 4e 4f 33 | ......inchi.@...InChI=1S/C7H5NO3 |
1ce40 | 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 30 2c 31 31 29 38 2d | S/c9-7-5-3-1-2-4-6(5)12(10,11)8- |
1ce60 | 37 2f 68 31 2d 34 48 2c 28 48 2c 38 2c 39 29 00 00 b6 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 | 7/h1-4H,(H,8,9)......._id.V..5+r |
1ce80 | ed 35 6f 00 00 88 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .5o....warnings.......fingerprin |
1cea0 | 74 73 00 8e 02 00 00 04 4d 50 32 44 00 83 02 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b | ts......MP2D......0.....1;1-1-1; |
1cec0 | 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 32 2d 31 3b 31 2d 31 | 2-1-1;2-1-28;..1.#...1;1-2-1;1-1 |
1cee0 | 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 32 00 2a 00 00 00 32 | -28;2-2-2;2-1-3;2-1-10;..2.*...2 |
1cf00 | 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 3b 32 2d 31 2d 31 30 | 8;1-1-1;1-2-2;2-2-1;2-2-9;2-1-10 |
1cf20 | 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 2d 32 2d 32 38 3b 32 | ;2-1-28;..3.....2;1-1-9;1-2-28;2 |
1cf40 | 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 32 3b 32 2d 32 2d 32 | -2-1;2-1-2;..4.....9;1-1-2;2-2-2 |
1cf60 | 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 32 2d 32 2d 31 3b 32 | 8;..5.#...28;1-1-1;1-1-2;2-2-1;2 |
1cf80 | 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 2d 31 3b 31 2d 31 2d | -1-9;2-1-28;..6.....1;1-2-1;1-1- |
1cfa0 | 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 31 2d 32 2d 31 3b 32 | 28;2-2-1;2-1-2;..7.....1;1-2-1;2 |
1cfc0 | 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 2d 31 3b 32 2d 32 2d | -2-1;2-1-28;..8.....1;1-2-1;2-2- |
1cfe0 | 31 3b 00 02 39 00 23 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 | 1;..9.#...2;1-1-9;1-1-10;1-1-28; |
1d000 | 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 30 00 17 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 | 2-2-1;2-1-2;..10.....9;1-1-2;2-1 |
1d020 | 2d 31 30 3b 32 2d 31 2d 32 38 3b 00 02 31 31 00 29 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 | -10;2-1-28;..11.)...10;1-1-1;1-1 |
1d040 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 32 | -2;2-1-1;2-1-3;2-1-9;2-1-28;..12 |
1d060 | 00 2f 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b | ./...1;1-1-1;1-1-3;1-1-10;2-1-1; |
1d080 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 22 00 00 00 33 3b 31 2d | 2-1-2;2-2-3;2-1-28;..13."...3;1- |
1d0a0 | 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 31 30 3b 00 02 31 | 1-1;1-2-3;2-1-1;2-2-3;2-1-10;..1 |
1d0c0 | 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 16 | 4.....3;1-2-3;2-1-1;2-2-3;..15.. |
1d0e0 | 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 36 00 16 00 00 | ...3;1-2-3;2-2-3;2-1-15;..16.... |
1d100 | 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 37 00 10 00 00 00 31 | .3;1-2-3;1-1-15;2-2-3;..17.....1 |
1d120 | 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 | 5;1-1-3;2-2-3;....dataset_ids... |
1d140 | 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 | ...0.V..4+r.5o....1.V..:+r.5o... |
1d160 | 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 | .2.V..;+r.5o....3.V..<+r.5o....4 |
1d180 | 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 | .V..=+r.5o....5.V..=+r.5o....6.V |
1d1a0 | ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c | ..?+r.5o....7.V..@+r.5o....8.V.. |
1d1c0 | 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 | A+r.5o....9.V..B+r.5o....10.V..C |
1d1e0 | 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 | +r.5o.....features./....56ba0c34 |
1d200 | 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 a7 74 79 b3 b9 04 dd 3f | 2b72ed356f000000......0..ty....? |
1d220 | 00 00 02 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 | ...smiles.)...CC1N(C(=O)NC2CCCCC |
1d240 | 32 29 43 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 | 2)C(=O)SC1c1ccc(cc1)Cl..updated_ |
1d260 | 61 74 00 67 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 8c af bf c6 52 01 00 00 10 | at.g...R....created_at.....R.... |
1d280 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 12 00 00 00 02 69 6e | default_fingerprint_size......in |
1d2a0 | 63 68 69 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 | chi.~...InChI=1S/C17H21ClN2O2S/c |
1d2c0 | 31 2d 31 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 | 1-11-15(12-7-9-13(18)10-8-12)23- |
1d2e0 | 31 37 28 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 | 17(22)20(11)16(21)19-14-5-3-2-4- |
1d300 | 36 2d 31 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 | 6-14/h7-11,14-15H,2-6H2,1H3,(H,1 |
1d320 | 39 2c 32 31 29 00 00 1c 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 89 04 77 61 72 | 9,21)......._id.V..5+r.5o....war |
1d340 | 6e 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 00 04 4d 50 | nings.......fingerprints......MP |
1d360 | 32 44 00 fc 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 | 2D......0.....1;1-1-1;2-1-19;..1 |
1d380 | 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 00 1d 00 | .....1;1-1-1;1-1-19;2-1-3;..2... |
1d3a0 | 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 31 31 3b 00 02 | ..19;1-1-1;1-1-3;2-1-1;2-2-11;.. |
1d3c0 | 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 3b 32 2d 32 2d | 3.....3;1-2-11;1-1-19;2-1-1;2-2- |
1d3e0 | 33 3b 00 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 | 3;..4.....11;1-2-3;2-2-11;2-2-19 |
1d400 | 3b 00 02 35 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 | ;..5.....11;1-2-3;2-2-11;2-1-15; |
1d420 | 32 2d 31 2d 31 39 3b 00 02 36 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 35 3b 32 | 2-1-19;..6.....3;1-2-11;1-1-15;2 |
1d440 | 2d 32 2d 33 3b 00 02 37 00 11 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 00 00 | -2-3;..7.....15;1-1-3;2-2-11;... |
1d460 | 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 | .dataset_ids......0.V..4+r.5o... |
1d480 | 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 33 | .1.V..9+r.5o....2.V..:+r.5o....3 |
1d4a0 | 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 | .V..;+r.5o....4.V..<+r.5o....5.V |
1d4c0 | ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c | ..=+r.5o....6.V..>+r.5o....7.V.. |
1d4e0 | 3f 2b 72 ed 35 6f 00 01 cc 07 38 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 39 00 56 ba 0c 41 2b | ?+r.5o....8.V..@+r.5o....9.V..A+ |
1d500 | 72 ed 35 6f 00 01 cf 07 31 30 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b | r.5o....10.V..A+r.5o....11.V..B+ |
1d520 | 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 | r.5o....12.V..C+r.5o.....feature |
1d540 | 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 | s.:....56ba0c342b72ed356f000000. |
1d560 | 1b 00 00 00 01 30 00 a9 d0 14 88 c2 63 99 3f 01 31 00 9e 1a ed d7 be e9 9a 3f 00 00 02 73 6d 69 | .....0......c.?.1........?...smi |
1d580 | 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 43 6c 00 09 75 70 | les.....CCNc1nc(NCC)nc(n1)Cl..up |
1d5a0 | 64 61 74 65 64 5f 61 74 00 38 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 91 af bf | dated_at.8...R....created_at.... |
1d5c0 | c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 08 | .R....default_fingerprint_size.. |
1d5e0 | 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 31 32 43 6c 4e 35 | ....inchi.T...InChI=1S/C7H12ClN5 |
1d600 | 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 29 31 30 2d 34 2d | /c1-3-9-6-11-5(8)12-7(13-6)10-4- |
1d620 | 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 2c 31 32 2c 31 33 | 2/h3-4H2,1-2H3,(H2,9,10,11,12,13 |
1d640 | 29 00 00 f1 02 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 8a 04 77 61 72 6e 69 6e 67 | )......._id.V..5+r.5o....warning |
1d660 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 00 01 00 00 04 4d 50 32 44 00 f5 | s.......fingerprints......MP2D.. |
1d680 | 00 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 32 2d 32 2d 39 3b | ....0.....32;1-1-10;2-1-5;2-2-9; |
1d6a0 | 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 2d 33 32 3b 32 2d | ..1.....10;1-1-5;1-2-9;1-1-32;2- |
1d6c0 | 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 3b 32 2d 31 2d 39 | 1-1;..2.....9;1-1-10;2-1-5;2-1-9 |
1d6e0 | 3b 32 2d 31 2d 33 32 3b 00 02 33 00 23 00 00 00 35 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 32 | ;2-1-32;..3.#...5;1-1-1;1-1-10;2 |
1d700 | 2d 32 2d 31 3b 32 2d 32 2d 39 3b 32 2d 31 2d 33 32 3b 00 02 34 00 1c 00 00 00 31 3b 31 2d 32 2d | -2-1;2-2-9;2-1-32;..4.....1;1-2- |
1d720 | 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 35 00 15 00 00 00 31 3b 31 | 1;1-1-5;2-2-1;2-1-10;..5.....1;1 |
1d740 | 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 36 00 0f 00 00 00 31 3b 31 2d 32 2d 31 | -2-1;2-2-1;2-1-5;..6.....1;1-2-1 |
1d760 | 3b 32 2d 32 2d 31 3b 00 02 37 00 04 00 00 00 32 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 | ;2-2-1;..7.....21;....dataset_id |
1d780 | 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 | s......0.V..4+r.5o....1.V..:+r.5 |
1d7a0 | 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 | o....2.V..;+r.5o....3.V..<+r.5o. |
1d7c0 | 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca | ...4.V..=+r.5o....5.V..>+r.5o... |
1d7e0 | 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 | .6.V..?+r.5o....7.V..@+r.5o....8 |
1d800 | 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 30 00 | .V..A+r.5o....9.V..B+r.5o....10. |
1d820 | 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 | V..C+r.5o.....features./....56ba |
1d840 | 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 f9 ba 33 1e | 0c342b72ed356f000000......0...3. |
1d860 | a0 e6 31 40 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 4f 29 4e | ..1@...smiles.....[O-]S(=O)(=O)N |
1d880 | 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 55 ea bf c6 52 | C1CCCCC1.[Na+]..updated_at.U...R |
1d8a0 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 97 af bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.....R....default_ |
1d8c0 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 08 00 00 00 02 69 6e 63 68 69 00 53 00 00 00 | fingerprint_size......inchi.S... |
1d8e0 | 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 2c 31 30 | InChI=1S/C6H13NO3S.Na/c8-11(9,10 |
1d900 | 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 2c 28 48 | )7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H |
1d920 | 2c 38 2c 39 2c 31 30 29 3b 2f 71 3b 2b 31 2f 70 2d 31 00 00 eb 03 00 00 07 5f 69 64 00 56 ba 0c | ,8,9,10);/q;+1/p-1......._id.V.. |
1d940 | 35 2b 72 ed 35 6f 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 70 | 5+r.5o....warnings.......fingerp |
1d960 | 72 69 6e 74 73 00 d7 01 00 00 04 4d 50 32 44 00 cc 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 | rints......MP2D......0.....1;1-1 |
1d980 | 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;. |
1d9a0 | 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 31 3b 31 | .2.....1;1-2-1;2-2-1;..3.....1;1 |
1d9c0 | 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 00 21 00 00 00 31 3b 31 2d 31 2d 31 | -2-1;2-1-1;2-1-2;..4.!...1;1-1-1 |
1d9e0 | 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 35 00 1b 00 00 | ;1-1-2;2-1-1;2-1-8;2-1-9;..5.... |
1da00 | 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 02 36 00 15 | .2;1-1-1;1-1-8;1-1-9;2-2-1;..6.. |
1da20 | 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 37 00 1b 00 00 00 38 | ...9;1-1-2;2-1-1;2-1-8;..7.....8 |
1da40 | 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 38 00 21 00 00 | ;1-1-1;1-1-2;2-2-1;2-1-9;..8.!.. |
1da60 | 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 32 2d 31 2d 38 | .1;1-1-1;1-1-8;2-1-1;2-1-2;2-1-8 |
1da80 | 3b 00 02 39 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 | ;..9.....1;1-2-1;1-1-8;2-1-1;2-2 |
1daa0 | 2d 38 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 33 2d 31 3b | -8;..10.....1;1-2-1;1-1-8;2-3-1; |
1dac0 | 32 2d 32 2d 38 3b 00 02 31 31 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 | 2-2-8;..11.....8;1-2-1;2-3-1;..1 |
1dae0 | 32 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 | 2.....1;1-1-1;1-1-8;2-2-1;2-1-8; |
1db00 | 00 02 31 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 | ..13.....1;1-2-1;1-1-8;2-2-1;2-2 |
1db20 | 2d 38 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 00 00 04 64 61 | -8;..14.....8;1-1-1;2-2-1;....da |
1db40 | 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 | taset_ids......0.V..4+r.5o....1. |
1db60 | 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba | V..:+r.5o....2.V..;+r.5o....3.V. |
1db80 | 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3e | .<+r.5o....4.V..<+r.5o....5.V..> |
1dba0 | 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 | +r.5o....6.V..?+r.5o....7.V..@+r |
1dbc0 | ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 | .5o....8.V..A+r.5o....9.V..B+r.5 |
1dbe0 | 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f | o....10.V..C+r.5o.....features./ |
1dc00 | 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 | ....56ba0c342b72ed356f000000.... |
1dc20 | 00 01 30 00 e7 58 1f c4 e0 dd 33 40 00 00 02 73 6d 69 6c 65 73 00 22 00 00 00 43 43 43 43 43 43 | ..0..X....3@...smiles."...CCCCCC |
1dc40 | 43 43 43 43 43 43 28 3d 4f 29 4f 43 43 28 43 31 4f 43 43 28 43 31 4f 29 4f 29 4f 00 09 75 70 64 | CCCCCC(=O)OCC(C1OCC(C1O)O)O..upd |
1dc60 | 61 74 65 64 5f 61 74 00 33 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 9c af bf c6 | ated_at.3...R....created_at..... |
1dc80 | 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0f 00 | R....default_fingerprint_size... |
1dca0 | 00 00 02 69 6e 63 68 69 00 71 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 38 48 33 34 4f 36 2f 63 | ...inchi.q...InChI=1S/C18H34O6/c |
1dcc0 | 31 2d 32 2d 33 2d 34 2d 35 2d 36 2d 37 2d 38 2d 39 2d 31 30 2d 31 31 2d 31 36 28 32 31 29 32 33 | 1-2-3-4-5-6-7-8-9-10-11-16(21)23 |
1dce0 | 2d 31 33 2d 31 35 28 32 30 29 31 38 2d 31 37 28 32 32 29 31 34 28 31 39 29 31 32 2d 32 34 2d 31 | -13-15(20)18-17(22)14(19)12-24-1 |
1dd00 | 38 2f 68 31 34 2d 31 35 2c 31 37 2d 32 30 2c 32 32 48 2c 32 2d 31 33 48 32 2c 31 48 33 00 00 03 | 8/h14-15,17-20,22H,2-13H2,1H3... |
1dd20 | 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 8c 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..5+r.5o....warnings... |
1dd40 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 d7 01 00 00 04 4d 50 32 44 00 cc 01 00 00 02 | ....fingerprints......MP2D...... |
1dd60 | 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- |
1dd80 | 32 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 | 2-1;2-1-1;..2.....1;1-2-1;2-2-1; |
1dda0 | 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 32 3b 00 02 34 00 | ..3.....1;1-2-1;2-1-1;2-1-2;..4. |
1ddc0 | 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 32 2d | !...1;1-1-1;1-1-2;2-1-1;2-1-8;2- |
1dde0 | 31 2d 39 3b 00 02 35 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 | 1-9;..5.....2;1-1-1;1-1-8;1-1-9; |
1de00 | 32 2d 32 2d 31 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 | 2-2-1;..6.....9;1-1-2;2-1-1;2-1- |
1de20 | 38 3b 00 02 37 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 | 8;..7.....8;1-1-1;1-1-2;2-2-1;2- |
1de40 | 31 2d 39 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 3b | 1-9;..8.!...1;1-1-1;1-1-8;2-1-1; |
1de60 | 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 39 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d | 2-1-2;2-1-8;..9.....1;1-2-1;1-1- |
1de80 | 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 00 02 31 30 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 | 8;2-1-1;2-2-8;..10.....1;1-2-1;1 |
1dea0 | 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 32 2d 38 3b 00 02 31 31 00 0f 00 00 00 38 3b 31 2d 32 2d | -1-8;2-3-1;2-2-8;..11.....8;1-2- |
1dec0 | 31 3b 32 2d 33 2d 31 3b 00 02 31 32 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 | 1;2-3-1;..12.....1;1-1-1;1-1-8;2 |
1dee0 | 2d 32 2d 31 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 31 2d | -2-1;2-1-8;..13.....1;1-2-1;1-1- |
1df00 | 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 31 34 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 | 8;2-2-1;2-2-8;..14.....8;1-1-1;2 |
1df20 | 2d 32 2d 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 | -2-1;....dataset_ids......0.V..4 |
1df40 | 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 | +r.5o....1.V..:+r.5o....2.V..;+r |
1df60 | ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 | .5o....3.V..<+r.5o....4.V..=+r.5 |
1df80 | 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 | o....5.V..>+r.5o....6.V..?+r.5o. |
1dfa0 | 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 | ...7.V..@+r.5o....8.V..A+r.5o... |
1dfc0 | 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 | .9.V..B+r.5o....10.V..C+r.5o.... |
1dfe0 | 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 | .features./....56ba0c342b72ed356 |
1e000 | 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 73 f8 0f 93 23 ba 30 40 00 00 02 73 6d 69 6c 65 73 | f000000......0.s...#.0@...smiles |
1e020 | 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 43 | .(...CCCCCCCCCCCCCCCCCC(=O)OCC(C |
1e040 | 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 f5 e9 bf c6 52 01 00 | 1OCC(C1O)O)O..updated_at.....R.. |
1e060 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 a2 af bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at.....R....default_fi |
1e080 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0f 00 00 00 02 69 6e 63 68 69 00 83 00 00 00 49 6e | ngerprint_size......inchi.....In |
1e0a0 | 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 38 | ChI=1S/C24H46O6/c1-2-3-4-5-6-7-8 |
1e0c0 | 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 37 | -9-10-11-12-13-14-15-16-17-22(27 |
1e0e0 | 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 33 | )29-19-21(26)24-23(28)20(25)18-3 |
1e100 | 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 33 | 0-24/h20-21,23-26,28H,2-19H2,1H3 |
1e120 | 00 00 d9 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 8d 04 77 61 72 6e 69 6e 67 73 | ......._id.V..5+r.5o....warnings |
1e140 | 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 50 32 44 00 c0 01 | .......fingerprints......MP2D... |
1e160 | 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..... |
1e180 | 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 |
1e1a0 | 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- |
1e1c0 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 34 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 3;2-2-3;2-1-30;..4.#...3;1-2-3;1 |
1e1e0 | 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 35 00 1d 00 00 | -1-30;2-2-3;2-2-9;2-1-19;..5.... |
1e200 | 00 33 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 36 | .30;1-1-3;1-2-9;1-1-19;2-3-3;..6 |
1e220 | 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 31 39 | .....9;1-1-30;2-1-3;2-1-9;2-1-19 |
1e240 | 3b 00 02 37 00 24 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 | ;..7.$...19;1-1-3;1-1-30;2-1-3;2 |
1e260 | 2d 32 2d 39 3b 32 2d 32 2d 31 31 3b 00 02 38 00 1e 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 | -2-9;2-2-11;..8.....3;1-2-11;1-1 |
1e280 | 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 39 00 24 00 00 00 31 31 3b 31 2d 32 2d | -19;2-2-3;2-1-30;..9.$...11;1-2- |
1e2a0 | 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 31 30 | 3;2-1-1;2-1-3;2-1-11;2-1-19;..10 |
1e2c0 | 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b | .....3;1-1-1;1-1-3;1-1-11;2-2-3; |
1e2e0 | 00 02 31 31 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 | ..11.....1;1-1-3;2-1-3;2-1-11;.. |
1e300 | 31 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 31 31 3b 00 00 00 04 | 12.....3;1-2-3;2-2-1;2-2-11;.... |
1e320 | 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 | dataset_ids......0.V..4+r.5o.... |
1e340 | 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 | 1.V..:+r.5o....2.V..:+r.5o....3. |
1e360 | 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba | V..<+r.5o....4.V..=+r.5o....5.V. |
1e380 | 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 | .>+r.5o....6.V..?+r.5o....7.V..@ |
1e3a0 | 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 | +r.5o....8.V..A+r.5o....9.V..B+r |
1e3c0 | ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 | .5o....10.V..C+r.5o.....features |
1e3e0 | 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 | ./....56ba0c342b72ed356f000000.. |
1e400 | 00 00 00 01 30 00 84 7b 41 a1 39 5a be 3f 00 00 02 73 6d 69 6c 65 73 00 24 00 00 00 4e 63 31 63 | ....0..{A.9Z.?...smiles.$...Nc1c |
1e420 | 63 63 28 63 63 31 29 53 28 3d 4f 29 28 3d 4f 29 4e 63 31 6e 63 28 43 29 63 63 28 6e 31 29 43 00 | cc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C. |
1e440 | 09 75 70 64 61 74 65 64 5f 61 74 00 a6 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at.....R....created_at. |
1e460 | a7 af bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | ....R....default_fingerprint_siz |
1e480 | 65 00 0d 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 32 48 31 34 | e......inchi.i...InChI=1S/C12H14 |
1e4a0 | 4e 34 4f 32 53 2f 63 31 2d 38 2d 37 2d 39 28 32 29 31 35 2d 31 32 28 31 34 2d 38 29 31 36 2d 31 | N4O2S/c1-8-7-9(2)15-12(14-8)16-1 |
1e4c0 | 39 28 31 37 2c 31 38 29 31 31 2d 35 2d 33 2d 31 30 28 31 33 29 34 2d 36 2d 31 31 2f 68 33 2d 37 | 9(17,18)11-5-3-10(13)4-6-11/h3-7 |
1e4e0 | 48 2c 31 33 48 32 2c 31 2d 32 48 33 2c 28 48 2c 31 34 2c 31 35 2c 31 36 29 00 00 82 03 00 00 07 | H,13H2,1-2H3,(H,14,15,16)....... |
1e500 | 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 8e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..5+r.5o....warnings....... |
1e520 | 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 10 00 | fingerprints......MP2D......0... |
1e540 | 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 2d 31 2d 31 | ..1;1-1-1;2-1-19;..1.....1;1-1-1 |
1e560 | 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 2d 31 3b 31 | ;1-1-19;2-1-3;..2.....19;1-1-1;1 |
1e580 | 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 31 2d 32 2d | -1-3;2-1-1;2-2-11;..3.....3;1-2- |
1e5a0 | 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 1f 00 00 00 31 31 | 11;1-1-19;2-1-1;2-2-3;..4.....11 |
1e5c0 | 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 31 39 3b 00 02 35 00 | ;1-2-3;2-1-10;2-2-11;2-1-19;..5. |
1e5e0 | 1d 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 3b | ....3;1-1-10;1-2-11;2-1-1;2-2-3; |
1e600 | 00 02 36 00 17 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 | ..6.....10;1-1-1;1-1-3;2-2-11;.. |
1e620 | 37 00 10 00 00 00 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 00 02 38 00 18 00 00 00 31 31 3b | 7.....1;1-1-10;2-1-3;..8.....11; |
1e640 | 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 32 2d 32 2d 31 39 3b 00 02 39 00 1d 00 00 00 31 39 3b 31 | 1-2-3;2-2-11;2-2-19;..9.....19;1 |
1e660 | 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 33 2d 31 3b 32 2d 32 2d 31 31 3b 00 02 31 30 00 16 00 00 | -1-1;1-1-3;2-3-1;2-2-11;..10.... |
1e680 | 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 00 02 31 31 00 16 00 00 00 31 | .1;1-3-1;1-1-19;2-1-3;..11.....1 |
1e6a0 | 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 39 3b 00 00 00 04 64 61 74 61 73 65 74 5f | ;1-1-1;2-2-1;2-1-19;....dataset_ |
1e6c0 | 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 | ids......0.V..4+r.5o....1.V..:+r |
1e6e0 | ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 | .5o....2.V..;+r.5o....3.V..<+r.5 |
1e700 | 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 | o....4.V..=+r.5o....5.V..>+r.5o. |
1e720 | 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce | ...6.V..?+r.5o....7.V..@+r.5o... |
1e740 | 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 | .8.V..A+r.5o....9.V..B+r.5o....1 |
1e760 | 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 | 0.V..C+r.5o.....features./....56 |
1e780 | 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 62 3b | ba0c342b72ed356f000000......0.b; |
1e7a0 | 0a 8d f6 d1 af 3f 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 | .....?...smiles.....CCNc1nc(SC)n |
1e7c0 | 63 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 c1 e9 bf c6 52 | c(n1)NC(C)(C)C..updated_at.....R |
1e7e0 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ad af bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.....R....default_ |
1e800 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0c 00 00 00 02 69 6e 63 68 69 00 5c 00 00 00 | fingerprint_size......inchi.\... |
1e820 | 49 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 | InChI=1S/C10H19N5S/c1-6-11-7-12- |
1e840 | 38 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 | 8(15-10(2,3)4)14-9(13-7)16-5/h6H |
1e860 | 32 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 0f 03 00 | 2,1-5H3,(H2,11,12,13,14,15)..... |
1e880 | 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 8f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V..5+r.5o....warnings..... |
1e8a0 | 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 30 00 | ..fingerprints.8....MP2D.-....0. |
1e8c0 | 0f 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 | ....8;1-1-3;2-2-3;..1.....3;1-2- |
1e8e0 | 33 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 | 3;1-1-8;2-2-3;2-1-15;..2.....3;1 |
1e900 | 2d 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 | -2-3;2-2-3;2-1-8;..3.....3;1-2-3 |
1e920 | 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 32 | ;2-1-1;2-2-3;..4.....3;1-1-1;1-2 |
1e940 | 2d 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 | -3;2-3-1;2-2-3;..5.....3;1-2-3;2 |
1e960 | 2d 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 | -1-1;2-2-3;2-1-15;..6.....3;1-2- |
1e980 | 33 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 | 3;1-1-15;2-2-3;2-1-8;..7.....15; |
1e9a0 | 31 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 | 1-1-3;2-2-3;..8.....1;1-3-1;1-1- |
1e9c0 | 33 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 | 3;2-2-3;..9.....1;1-1-1;2-2-1;2- |
1e9e0 | 31 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b | 1-3;....dataset_ids......0.V..4+ |
1ea00 | 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed | r.5o....1.V..:+r.5o....2.V..;+r. |
1ea20 | 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f | 5o....3.V..<+r.5o....4.V..=+r.5o |
1ea40 | 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 | ....5.V..>+r.5o....6.V..?+r.5o.. |
1ea60 | cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 | ..7.V..@+r.5o....8.V..A+r.5o.... |
1ea80 | 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 | 9.V..B+r.5o....10.V..C+r.5o..... |
1eaa0 | 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 | features./....56ba0c342b72ed356f |
1eac0 | 30 30 30 30 30 30 00 10 00 00 00 01 30 00 80 bc c7 1a 18 b7 f2 3f 00 00 02 73 6d 69 6c 65 73 00 | 000000......0........?...smiles. |
1eae0 | 16 00 00 00 4f 63 31 63 63 63 28 63 63 31 43 6c 29 43 28 43 29 28 43 29 43 00 09 75 70 64 61 74 | ....Oc1ccc(cc1Cl)C(C)(C)C..updat |
1eb00 | 65 64 5f 61 74 00 34 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 b2 af bf c6 52 01 | ed_at.4...R....created_at.....R. |
1eb20 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0a 00 00 00 | ...default_fingerprint_size..... |
1eb40 | 02 69 6e 63 68 69 00 40 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 33 43 6c 4f 2f 63 31 | .inchi.@...InChI=1S/C10H13ClO/c1 |
1eb60 | 2d 31 30 28 32 2c 33 29 37 2d 34 2d 35 2d 39 28 31 32 29 38 28 31 31 29 36 2d 37 2f 68 34 2d 36 | -10(2,3)7-4-5-9(12)8(11)6-7/h4-6 |
1eb80 | 2c 31 32 48 2c 31 2d 33 48 33 00 00 00 02 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 | ,12H,1-3H3......._id.V..5+r.5o.. |
1eba0 | 90 04 77 61 72 6e 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 00 | ..warnings.......fingerprints.L. |
1ebc0 | 00 00 04 4d 50 32 44 00 41 00 00 00 02 30 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d | ...MP2D.A....0.....15;1-1-1;2-1- |
1ebe0 | 31 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 | 1;2-1-15;..1.....1;1-1-1;1-2-15; |
1ec00 | 32 2d 32 2d 31 35 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba | 2-2-15;....dataset_ids......0.V. |
1ec20 | 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a | .4+r.5o....1.V..:+r.5o....2.V..: |
1ec40 | 2b 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 | +r.5o....3.V..<+r.5o....4.V..=+r |
1ec60 | ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 | .5o....5.V..>+r.5o....6.V..?+r.5 |
1ec80 | 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 | o....7.V..@+r.5o....8.V..A+r.5o. |
1eca0 | 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 | ...9.V..B+r.5o....10.V..C+r.5o.. |
1ecc0 | d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 | ...features./....56ba0c342b72ed3 |
1ece0 | 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 15 a8 af ba 03 97 e4 3f 00 00 02 73 6d 69 6c | 56f000000......0........?...smil |
1ed00 | 65 73 00 0f 00 00 00 43 6c 43 28 43 28 43 6c 29 43 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 | es.....ClC(C(Cl)Cl)Cl..updated_a |
1ed20 | 74 00 ca e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 b7 af bf c6 52 01 00 00 10 64 | t.....R....created_at.....R....d |
1ed40 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 02 00 00 00 02 69 6e 63 | efault_fingerprint_size......inc |
1ed60 | 68 69 00 24 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 48 32 43 6c 34 2f 63 33 2d 31 28 34 29 32 | hi.$...InChI=1S/C2H2Cl4/c3-1(4)2 |
1ed80 | 28 35 29 36 2f 68 31 2d 32 48 00 00 1a 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 | (5)6/h1-2H......._id.V..5+r.5o.. |
1eda0 | 91 04 77 61 72 6e 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 | ..warnings.......fingerprints... |
1edc0 | 00 00 04 4d 50 32 44 00 e9 01 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d | ...MP2D......0.....15;1-1-2;2-1- |
1ede0 | 32 3b 00 02 31 00 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 | 2;..1.....2;1-1-2;1-1-15;2-1-3;2 |
1ee00 | 2d 31 2d 39 3b 00 02 32 00 29 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 | -1-9;..2.)...2;1-1-2;1-1-3;1-1-9 |
1ee20 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 32 3b 32 2d 31 2d 31 35 3b 00 02 33 00 28 00 00 00 33 3b 31 | ;2-2-3;2-1-12;2-1-15;..3.(...3;1 |
1ee40 | 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 31 | -1-2;1-2-3;2-1-2;2-2-3;2-1-9;2-1 |
1ee60 | 2d 31 35 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 | -15;..4.....3;1-2-3;2-1-2;2-2-3; |
1ee80 | 32 2d 31 2d 31 35 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 2d | 2-1-15;..5.....3;1-2-3;1-1-15;2- |
1eea0 | 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 36 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d | 2-3;2-1-15;..6.....15;1-1-3;2-2- |
1eec0 | 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 32 2d 31 35 3b 00 | 3;..7.....3;1-2-3;2-2-3;2-2-15;. |
1eee0 | 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 32 3b 32 2d 32 2d | .8.....3;1-2-3;1-1-15;2-1-2;2-2- |
1ef00 | 33 3b 00 02 39 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 | 3;..9.(...9;1-1-2;1-1-12;2-1-2;2 |
1ef20 | 2d 31 2d 33 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 30 00 1c 00 00 00 31 32 3b 31 2d 32 | -1-3;2-2-8;2-1-9;..10.....12;1-2 |
1ef40 | 2d 38 3b 31 2d 32 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 31 00 16 00 00 00 39 3b | -8;1-2-9;2-2-1;2-1-2;..11.....9; |
1ef60 | 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 32 00 1c 00 00 00 38 3b 31 2d | 1-1-12;2-2-8;2-1-9;..12.....8;1- |
1ef80 | 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 00 00 00 | 1-1;1-1-12;2-1-8;2-2-9;..13..... |
1efa0 | 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb | 1;1-1-8;2-1-12;....dataset_ids.. |
1efc0 | 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 | ....0.V..4+r.5o....1.V..:+r.5o.. |
1efe0 | c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 | ..2.V..:+r.5o....3.V..;+r.5o.... |
1f000 | 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 | 4.V..<+r.5o....5.V..=+r.5o....6. |
1f020 | 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 38 00 56 ba | V..>+r.5o....7.V..?+r.5o....8.V. |
1f040 | 0c 3f 2b 72 ed 35 6f 00 01 cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c | .?+r.5o....9.V..@+r.5o....10.V.. |
1f060 | 41 2b 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c | A+r.5o....11.V..B+r.5o....12.V.. |
1f080 | 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 | C+r.5o.....features.:....56ba0c3 |
1f0a0 | 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 0f 4e ee 41 f8 7c d1 | 42b72ed356f000000......0..N.A.|. |
1f0c0 | 3f 01 31 00 0f 4e ee 41 f8 7c c1 3f 00 00 02 73 6d 69 6c 65 73 00 26 00 00 00 43 6c 43 3d 43 28 | ?.1..N.A.|.?...smiles.&...ClC=C( |
1f0e0 | 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. |
1f100 | 09 75 70 64 61 74 65 64 5f 61 74 00 bc e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at.....R....created_at. |
1f120 | bc af bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | ....R....default_fingerprint_siz |
1f140 | 65 00 0e 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 30 48 39 43 | e......inchi.T...InChI=1S/C10H9C |
1f160 | 6c 34 4f 34 50 2f 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 | l4O4P/c1-16-19(15,17-2)18-10(5-1 |
1f180 | 31 29 36 2d 33 2d 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 | 1)6-3-8(13)9(14)4-7(6)12/h3-5H,1 |
1f1a0 | 2d 32 48 33 00 00 85 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 92 04 77 61 72 6e | -2H3......._id.V..5+r.5o....warn |
1f1c0 | 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 01 00 00 04 4d 50 32 | ings.......fingerprints......MP2 |
1f1e0 | 44 00 8a 01 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 | D......0.....1;1-1-1;2-1-28;..1. |
1f200 | 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;. |
1f220 | 02 32 00 23 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 | .2.#...28;1-2-1;1-1-2;2-2-1;2-1- |
1f240 | 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 31 2d 31 2d 31 30 3b | 9;2-1-10;..3.....2;1-1-9;1-1-10; |
1f260 | 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 31 | 1-1-28;2-3-1;..4.....9;1-1-2;2-1 |
1f280 | 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 2d 31 3b 31 2d 31 2d | -10;2-1-28;..5.#...10;1-1-1;1-1- |
1f2a0 | 32 3b 32 2d 31 2d 33 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 | 2;2-1-3;2-1-9;2-1-28;..6.....1;1 |
1f2c0 | 2d 31 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 1c 00 00 00 | -1-3;1-1-10;2-1-2;2-2-3;..7..... |
1f2e0 | 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 15 | 3;1-1-1;1-2-3;2-2-3;2-1-10;..8.. |
1f300 | 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 00 00 33 | ...3;1-2-3;2-1-1;2-2-3;..9.....3 |
1f320 | 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 00 00 33 3b 31 | ;1-2-3;2-2-3;2-1-15;..10.....3;1 |
1f340 | 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 31 31 00 10 00 00 00 31 35 3b 31 2d | -2-3;1-1-15;2-2-3;..11.....15;1- |
1f360 | 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 | 1-3;2-2-3;....dataset_ids......0 |
1f380 | 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 | .V..4+r.5o....1.V..:+r.5o....2.V |
1f3a0 | ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c | ..;+r.5o....3.V..<+r.5o....4.V.. |
1f3c0 | 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b | =+r.5o....5.V..>+r.5o....6.V..?+ |
1f3e0 | 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 00 56 ba 0c 41 2b 72 ed | r.5o....7.V..@+r.5o....8.V..A+r. |
1f400 | 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 | 5o....9.V..B+r.5o....10.V..C+r.5 |
1f420 | 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 | o.....features./....56ba0c342b72 |
1f440 | 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 46 e9 39 a7 a7 dc 93 3f 00 00 02 73 | ed356f000000......0.F.9....?...s |
1f460 | 6d 69 6c 65 73 00 1b 00 00 00 43 43 4e 28 43 28 3d 4f 29 53 43 63 31 63 63 63 28 63 63 31 29 43 | miles.....CCN(C(=O)SCc1ccc(cc1)C |
1f480 | 6c 29 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 d7 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 | l)CC..updated_at.....R....create |
1f4a0 | 64 5f 61 74 00 c1 af bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.....R....default_fingerprin |
1f4c0 | 74 5f 73 69 7a 65 00 0c 00 00 00 02 69 6e 63 68 69 00 54 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.T...InChI=1S/C |
1f4e0 | 31 32 48 31 36 43 6c 4e 4f 53 2f 63 31 2d 33 2d 31 34 28 34 2d 32 29 31 32 28 31 35 29 31 36 2d | 12H16ClNOS/c1-3-14(4-2)12(15)16- |
1f500 | 39 2d 31 30 2d 35 2d 37 2d 31 31 28 31 33 29 38 2d 36 2d 31 30 2f 68 35 2d 38 48 2c 33 2d 34 2c | 9-10-5-7-11(13)8-6-10/h5-8H,3-4, |
1f520 | 39 48 32 2c 31 2d 32 48 33 00 00 a4 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 93 | 9H2,1-2H3......._id.V..5+r.5o... |
1f540 | 04 77 61 72 6e 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 01 00 | .warnings.......fingerprints.... |
1f560 | 00 04 4d 50 32 44 00 74 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b | ..MP2D.t....0.....1;1-1-8;2-1-2; |
1f580 | 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 3b 32 2d 31 2d | ..1.....8;1-1-1;1-1-2;2-1-9;2-1- |
1f5a0 | 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 31 2d 32 38 3b | 28;..2."...2;1-1-8;1-1-9;1-1-28; |
1f5c0 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d | 2-1-1;2-1-2;..3.....9;1-1-2;2-1- |
1f5e0 | 38 3b 32 2d 31 2d 32 38 3b 00 02 34 00 24 00 00 00 32 38 3b 31 2d 32 2d 32 3b 32 2d 31 2d 38 3b | 8;2-1-28;..4.$...28;1-2-2;2-1-8; |
1f600 | 32 2d 31 2d 39 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 32 38 3b 00 02 35 00 1d 00 00 00 32 3b 31 2d | 2-1-9;2-1-18;2-1-28;..5.....2;1- |
1f620 | 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 36 00 11 00 00 00 | 1-18;1-2-28;2-1-2;2-1-3;..6..... |
1f640 | 31 38 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 37 00 24 00 00 00 32 38 3b 31 2d 31 2d 32 | 18;1-1-2;2-2-28;..7.$...28;1-1-2 |
1f660 | 3b 31 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 38 00 23 | ;1-1-3;2-2-3;2-1-18;2-1-28;..8.# |
1f680 | 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 2d | ...3;1-2-3;1-1-28;2-1-2;2-2-3;2- |
1f6a0 | 31 2d 32 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 32 | 1-28;..9.....3;1-2-3;2-2-3;2-1-2 |
1f6c0 | 38 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 00 00 04 64 61 74 | 8;..10.....3;1-2-3;2-2-3;....dat |
1f6e0 | 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 | aset_ids......0.V..4+r.5o....1.V |
1f700 | ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c | ..:+r.5o....2.V..;+r.5o....3.V.. |
1f720 | 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b | ;+r.5o....4.V..=+r.5o....5.V..>+ |
1f740 | 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed | r.5o....6.V..?+r.5o....7.V..@+r. |
1f760 | 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f | 5o....8.V..A+r.5o....9.V..B+r.5o |
1f780 | 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 | ....10.V..C+r.5o.....features./. |
1f7a0 | 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 | ...56ba0c342b72ed356f000000..... |
1f7c0 | 01 30 00 69 d4 95 c5 f7 ec b7 3f 00 00 02 73 6d 69 6c 65 73 00 25 00 00 00 43 4f 43 28 3d 4f 29 | .0.i......?...smiles.%...COC(=O) |
1f7e0 | 4e 43 28 3d 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 | NC(=S)Nc1ccccc1NC(=S)NC(=O)OC..u |
1f800 | 70 64 61 74 65 64 5f 61 74 00 e0 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c7 af | pdated_at.....R....created_at... |
1f820 | bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | ..R....default_fingerprint_size. |
1f840 | 0b 00 00 00 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 | .....inchi.....InChI=1S/C12H14N4 |
1f860 | 4f 34 53 32 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 | O4S2/c1-19-11(17)15-9(21)13-7-5- |
1f880 | 33 2d 34 2d 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 | 3-4-6-8(7)14-10(22)16-12(18)20-2 |
1f8a0 | 2f 68 33 2d 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 | /h3-6H,1-2H3,(H2,13,15,17,21)(H2 |
1f8c0 | 2c 31 34 2c 31 36 2c 31 38 2c 32 32 29 00 00 f8 02 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 | ,14,16,18,22)......._id.V..5+r.5 |
1f8e0 | 6f 00 00 94 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 | o....warnings.......fingerprints |
1f900 | 00 c9 00 00 00 04 4d 50 32 44 00 be 00 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 |
1f920 | 2d 31 2d 31 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 | -1-1;2-1-2;..1.....28;1-2-1;1-1- |
1f940 | 32 3b 32 2d 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 | 2;2-1-10;2-1-18;..2.%...2;1-1-10 |
1f960 | 3b 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 33 00 | ;1-1-18;1-1-28;2-2-1;2-1-10;..3. |
1f980 | 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 34 00 25 | ....18;1-1-2;2-1-10;2-1-28;..4.% |
1f9a0 | 00 00 00 31 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 | ...10;1-1-2;1-1-10;2-1-2;2-1-18; |
1f9c0 | 32 2d 31 2d 32 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 eb 00 00 00 07 30 00 56 ba | 2-1-28;....dataset_ids......0.V. |
1f9e0 | 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b | .4+r.5o....1.V..:+r.5o....2.V..; |
1fa00 | 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3c 2b 72 | +r.5o....3.V..;+r.5o....4.V..<+r |
1fa20 | ed 35 6f 00 01 c6 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3e 2b 72 ed 35 | .5o....5.V..=+r.5o....6.V..>+r.5 |
1fa40 | 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 38 00 56 ba 0c 3f 2b 72 ed 35 6f 00 | o....7.V..?+r.5o....8.V..?+r.5o. |
1fa60 | 01 cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 31 30 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 | ...9.V..@+r.5o....10.V..@+r.5o.. |
1fa80 | ce 07 31 31 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 31 32 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 | ..11.V..A+r.5o....12.V..A+r.5o.. |
1faa0 | d0 07 31 33 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 34 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 | ..13.V..B+r.5o....14.V..C+r.5o.. |
1fac0 | d4 00 03 66 65 61 74 75 72 65 73 00 50 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 | ...features.P....56ba0c342b72ed3 |
1fae0 | 35 36 66 30 30 30 30 30 30 00 31 00 00 00 01 30 00 01 2c 3e 3f 40 f1 af 3f 01 31 00 ab 10 16 ca | 56f000000.1....0..,>?@..?.1..... |
1fb00 | 39 7d a8 3f 01 32 00 bc 49 80 13 f1 4b 97 3f 01 33 00 01 f0 64 ff cc 8d a9 3f 00 00 02 73 6d 69 | 9}.?.2..I...K.?.3...d....?...smi |
1fb20 | 6c 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 | les.....CN(C(=S)SSC(=S)N(C)C)C.. |
1fb40 | 75 70 64 61 74 65 64 5f 61 74 00 14 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 cc | updated_at.....R....created_at.. |
1fb60 | af bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | ...R....default_fingerprint_size |
1fb80 | 00 05 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 | ......inchi.6...InChI=1S/C6H12N2 |
1fba0 | 53 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 | S4/c1-7(2)5(9)11-12-6(10)8(3)4/h |
1fbc0 | 31 2d 34 48 33 00 00 c1 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 95 04 77 61 72 | 1-4H3......._id.V..5+r.5o....war |
1fbe0 | 6e 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 02 00 00 04 4d 50 | nings.......fingerprints.z....MP |
1fc00 | 32 44 00 6f 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.o....0.....1;1-1-1;2-2-1;..1. |
1fc20 | 0f 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 | ....1;1-3-1;2-2-1;..2.....1;1-2- |
1fc40 | 31 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 | 1;2-3-1;..3.....1;1-2-1;2-2-1;.. |
1fc60 | 34 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 | 4.....1;1-2-1;2-3-1;2-1-8;..5... |
1fc80 | 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 33 3b 00 02 36 00 | ..1;1-3-1;1-1-8;2-2-1;2-1-3;..6. |
1fca0 | 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 1b 00 00 00 | ....1;1-1-1;2-2-1;2-1-8;..7..... |
1fcc0 | 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 38 00 1b 00 | 1;1-2-1;2-2-1;2-1-3;2-1-8;..8... |
1fce0 | 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 39 00 | ..1;1-1-1;1-1-3;2-1-1;2-2-3;..9. |
1fd00 | 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 3b 32 2d | !...3;1-1-1;1-2-3;2-2-1;2-2-3;2- |
1fd20 | 31 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 | 1-8;..10.....3;1-2-3;1-1-8;2-3-1 |
1fd40 | 3b 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 | ;2-2-3;..11.....8;1-1-1;1-1-3;2- |
1fd60 | 33 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 | 3-1;2-2-3;..12.!...3;1-1-1;1-2-3 |
1fd80 | 3b 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 | ;2-1-1;2-2-3;2-1-8;..13.....1;1- |
1fda0 | 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 | 1-3;2-2-3;..14.!...3;1-2-3;1-1-8 |
1fdc0 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 35 00 21 00 00 00 38 3b 31 2d | ;2-2-1;2-1-2;2-2-3;..15.!...8;1- |
1fde0 | 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 36 | 1-2;1-1-3;2-1-1;2-2-3;2-1-9;..16 |
1fe00 | 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 31 2d 33 3b 00 | .....2;1-1-1;1-1-8;1-1-9;2-1-3;. |
1fe20 | 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 38 3b 00 02 31 38 | .17.....9;1-1-2;2-1-1;2-1-8;..18 |
1fe40 | 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 02 31 39 00 0f 00 | .....1;1-1-2;2-1-8;2-1-9;..19... |
1fe60 | 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 | ..1;1-3-1;2-1-1;....dataset_ids. |
1fe80 | ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 | .....0.V..4+r.5o....1.V..:+r.5o. |
1fea0 | 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 | ...2.V..;+r.5o....3.V..<+r.5o... |
1fec0 | 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 | .4.V..=+r.5o....5.V..>+r.5o....6 |
1fee0 | 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 | .V..?+r.5o....7.V..@+r.5o....8.V |
1ff00 | ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba | ..A+r.5o....9.V..B+r.5o....10.V. |
1ff20 | 0c 43 2b 72 ed 35 6f 00 01 d3 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 | .C+r.5o.....features./....56ba0c |
1ff40 | 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 03 bc 7d 63 2a ec | 342b72ed356f000000......0...}c*. |
1ff60 | 10 40 00 00 02 73 6d 69 6c 65 73 00 3a 00 00 00 43 43 28 43 43 43 43 31 28 43 29 43 43 63 32 63 | .@...smiles.:...CC(CCCC1(C)CCc2c |
1ff80 | 28 4f 31 29 63 28 43 29 63 28 63 28 63 32 43 29 4f 43 28 3d 4f 29 43 29 43 29 43 43 43 43 28 43 | (O1)c(C)c(c(c2C)OC(=O)C)C)CCCC(C |
1ffa0 | 43 43 43 28 43 29 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 88 e6 bf c6 52 01 00 00 09 63 | CCC(C)C)C..updated_at.....R....c |
1ffc0 | 72 65 61 74 65 64 5f 61 74 00 d3 af bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.....R....default_finge |
1ffe0 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 14 00 00 00 02 69 6e 63 68 69 00 8c 00 00 00 49 6e 43 68 49 | rprint_size......inchi.....InChI |
20000 | 3d 31 53 2f 43 33 31 48 35 32 4f 33 2f 63 31 2d 32 31 28 32 29 31 33 2d 31 30 2d 31 34 2d 32 32 | =1S/C31H52O3/c1-21(2)13-10-14-22 |
20020 | 28 33 29 31 35 2d 31 31 2d 31 36 2d 32 33 28 34 29 31 37 2d 31 32 2d 31 39 2d 33 31 28 39 29 32 | (3)15-11-16-23(4)17-12-19-31(9)2 |
20040 | 30 2d 31 38 2d 32 38 2d 32 36 28 37 29 32 39 28 33 33 2d 32 37 28 38 29 33 32 29 32 34 28 35 29 | 0-18-28-26(7)29(33-27(8)32)24(5) |
20060 | 32 35 28 36 29 33 30 28 32 38 29 33 34 2d 33 31 2f 68 32 31 2d 32 33 48 2c 31 30 2d 32 30 48 32 | 25(6)30(28)34-31/h21-23H,10-20H2 |
20080 | 2c 31 2d 39 48 33 00 00 9d 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 96 04 77 61 | ,1-9H3......._id.V..5+r.5o....wa |
200a0 | 72 6e 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 01 00 00 04 4d | rnings.......fingerprints......M |
200c0 | 50 32 44 00 a1 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 | P2D......0.....19;1-1-3;2-2-3;.. |
200e0 | 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 16 | 1.....3;1-2-3;1-1-19;2-2-3;..2.. |
20100 | 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 16 00 00 00 | ...3;1-2-3;2-2-3;2-1-19;..3..... |
20120 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 31 3b 00 02 34 00 22 00 00 00 33 3b 31 | 3;1-2-3;2-2-3;2-1-31;..4."...3;1 |
20140 | 2d 32 2d 33 3b 31 2d 31 2d 33 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 | -2-3;1-1-31;2-1-1;2-2-3;2-1-8;.. |
20160 | 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 33 31 | 5.....3;1-1-1;1-2-3;2-2-3;2-1-31 |
20180 | 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 33 3b 32 2d 31 | ;..6.....3;1-2-3;2-1-1;2-2-3;2-1 |
201a0 | 2d 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 1d 00 | -19;..7.....1;1-1-3;2-2-3;..8... |
201c0 | 00 00 33 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 | ..31;1-1-3;1-1-8;2-2-3;2-1-10;.. |
201e0 | 39 00 23 00 00 00 38 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 33 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d | 9.#...8;1-1-10;1-1-31;2-1-3;2-1- |
20200 | 38 3b 32 2d 32 2d 39 3b 00 02 31 30 00 17 00 00 00 31 30 3b 31 2d 32 2d 38 3b 31 2d 32 2d 39 3b | 8;2-2-9;..10.....10;1-2-8;1-2-9; |
20220 | 32 2d 31 2d 33 31 3b 00 02 31 31 00 16 00 00 00 39 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 38 3b 32 | 2-1-31;..11.....9;1-1-10;2-2-8;2 |
20240 | 2d 31 2d 39 3b 00 02 31 32 00 16 00 00 00 38 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 38 3b 32 2d 32 | -1-9;..12.....8;1-1-10;2-1-8;2-2 |
20260 | 2d 39 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 | -9;....dataset_ids......0.V..4+r |
20280 | ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3b 2b 72 ed 35 | .5o....1.V..9+r.5o....2.V..;+r.5 |
202a0 | 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 | o....3.V..<+r.5o....4.V..=+r.5o. |
202c0 | 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc | ...5.V..>+r.5o....6.V..?+r.5o... |
202e0 | 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 | .7.V..@+r.5o....8.V..A+r.5o....9 |
20300 | 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 | .V..B+r.5o....10.V..C+r.5o.....f |
20320 | 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 | eatures./....56ba0c342b72ed356f0 |
20340 | 30 30 30 30 30 00 10 00 00 00 01 30 00 b6 10 d7 46 0d fb ea 3f 00 00 02 73 6d 69 6c 65 73 00 1b | 00000......0....F...?...smiles.. |
20360 | 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 75 | ...Nc1ccc(c(c1)C)NOS(=O)(=O)O..u |
20380 | 70 64 61 74 65 64 5f 61 74 00 5a e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d8 af | pdated_at.Z...R....created_at... |
203a0 | bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | ..R....default_fingerprint_size. |
203c0 | 0d 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 4f | .....inchi.U...InChI=1S/C7H10N2O |
203e0 | 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 30 | 4S/c1-5-4-6(8)2-3-7(5)9-13-14(10 |
20400 | 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 2c | ,11)12/h2-4,9H,8H2,1H3,(H,10,11, |
20420 | 31 32 29 00 00 f1 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 97 04 77 61 72 6e 69 | 12)......._id.V..5+r.5o....warni |
20440 | 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 44 | ngs.......fingerprints......MP2D |
20460 | 00 a6 02 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 | ......0.....7;1-1-4;2-1-1;..1... |
20480 | 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 00 | ..4;1-1-1;1-1-7;2-1-3;2-1-8;..2. |
204a0 | 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 2d | '...1;1-1-3;1-1-4;1-1-8;2-1-2;2- |
204c0 | 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 3b | 2-3;2-1-7;..3.!...3;1-1-1;1-2-3; |
204e0 | 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 2d | 2-2-3;2-1-4;2-1-8;..4.....3;1-2- |
20500 | 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 2d | 3;2-1-1;2-2-3;..5.....3;1-2-3;2- |
20520 | 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; |
20540 | 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 00 | ..7.....3;1-2-3;1-1-8;2-3-3;..8. |
20560 | 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;.. |
20580 | 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 27 00 00 00 38 3b 31 | 9.....8;1-2-3;2-4-3;..10.'...8;1 |
205a0 | 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 |
205c0 | 2d 39 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 | -9;..11.....2;1-1-1;1-1-8;1-1-9; |
205e0 | 32 2d 33 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 | 2-3-1;..12.....9;1-1-2;2-1-1;2-1 |
20600 | 2d 38 3b 00 02 31 33 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 | -8;..13.!...1;1-2-1;1-1-2;2-5-1; |
20620 | 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 34 00 1c 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 35 | 2-1-8;2-1-9;..14.....1;1-3-1;2-5 |
20640 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 34 3b 00 02 31 35 00 15 00 00 00 31 3b 31 2d 34 2d 31 | -1;2-1-2;2-1-14;..15.....1;1-4-1 |
20660 | 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 36 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d | ;2-3-1;2-1-2;..16.....1;1-1-1;2- |
20680 | 33 2d 31 3b 00 02 31 37 00 1d 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 34 3b 32 2d 32 2d | 3-1;..17.....1;1-2-1;1-1-14;2-2- |
206a0 | 31 3b 32 2d 33 2d 31 34 3b 00 02 31 38 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 33 2d 31 34 | 1;2-3-14;..18.....1;1-1-1;1-3-14 |
206c0 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 34 3b 00 02 31 39 00 17 00 00 00 31 34 3b 31 2d 31 2d 31 3b | ;2-1-1;2-1-14;..19.....14;1-1-1; |
206e0 | 32 2d 31 2d 31 3b 32 2d 32 2d 31 34 3b 00 02 32 30 00 10 00 00 00 31 34 3b 31 2d 31 2d 31 3b 32 | 2-1-1;2-2-14;..20.....14;1-1-1;2 |
20700 | 2d 32 2d 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 | -2-1;....dataset_ids......0.V..4 |
20720 | 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 | +r.5o....1.V..:+r.5o....2.V..;+r |
20740 | ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 | .5o....3.V..<+r.5o....4.V..=+r.5 |
20760 | 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 | o....5.V..>+r.5o....6.V..?+r.5o. |
20780 | 01 cb 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 | ...7.V..@+r.5o....8.V..A+r.5o... |
207a0 | 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 | .9.V..B+r.5o....10.V..C+r.5o.... |
207c0 | 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 | .features./....56ba0c342b72ed356 |
207e0 | 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 50 db 28 fb 5d 7a 72 3f 00 00 02 73 6d 69 6c 65 73 | f000000......0.P.(.]zr?...smiles |
20800 | 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 43 | .;...N#CC(c1cccc(c1)Oc1ccccc1)OC |
20820 | 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 00 | (=O)C1C(C1(C)C)C(C(Br)(Br)Br)Br. |
20840 | 09 75 70 64 61 74 65 64 5f 61 74 00 c4 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at.....R....created_at. |
20860 | df af bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | ....R....default_fingerprint_siz |
20880 | 65 00 15 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 39 | e......inchi.....InChI=1S/C22H19 |
208a0 | 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 35 | Br4NO3/c1-21(2)17(19(23)22(24,25 |
208c0 | 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 37 | )26)18(21)20(28)30-16(12-27)13-7 |
208e0 | 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 31 | -6-10-15(11-13)29-14-8-4-3-5-9-1 |
20900 | 34 2f 68 33 2d 31 31 2c 31 36 2d 31 39 48 2c 31 2d 32 48 33 00 00 3e 03 00 00 07 5f 69 64 00 56 | 4/h3-11,16-19H,1-2H3..>...._id.V |
20920 | ba 0c 35 2b 72 ed 35 6f 00 00 98 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..5+r.5o....warnings.......finge |
20940 | 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 17 00 00 00 33 32 3b | rprints.W....MP2D.L....0.....32; |
20960 | 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 |
20980 | 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d 38 3b 00 02 32 00 1c 00 00 00 31 3b 31 2d 31 2d 32 3b | -1;1-2-32;2-1-8;..2.....1;1-1-2; |
209a0 | 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 32 2d 32 2d 33 32 3b 00 02 33 00 1b 00 00 00 38 3b 31 2d 31 | 1-1-8;2-1-3;2-2-32;..3.....8;1-1 |
209c0 | 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 00 22 00 00 00 33 3b 31 | -1;1-1-3;2-1-2;2-2-3;..4."...3;1 |
209e0 | 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 00 02 | -2-3;1-1-8;2-1-1;2-2-3;2-1-15;.. |
20a00 | 35 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 | 5.....3;1-2-3;2-2-3;2-1-8;2-1-15 |
20a20 | 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- |
20a40 | 31 2d 31 35 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 | 1-15;..7.....15;1-1-3;2-2-3;..8. |
20a60 | 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 39 00 1c 00 00 | ....3;1-2-3;2-2-3;2-2-15;..9.... |
20a80 | 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 00 00 04 | .3;1-2-3;1-1-15;2-2-3;2-1-8;.... |
20aa0 | 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 | dataset_ids......0.V..4+r.5o.... |
20ac0 | 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 | 1.V..:+r.5o....2.V..;+r.5o....3. |
20ae0 | 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba | V..<+r.5o....4.V..=+r.5o....5.V. |
20b00 | 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 | .>+r.5o....6.V..?+r.5o....7.V..@ |
20b20 | 2b 72 ed 35 6f 00 01 cd 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 | +r.5o....8.V..A+r.5o....9.V..B+r |
20b40 | ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 | .5o....10.V..C+r.5o.....features |
20b60 | 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 | ./....56ba0c342b72ed356f000000.. |
20b80 | 00 00 00 01 30 00 f0 9f 8b f7 5e 0a a4 3f 00 00 02 73 6d 69 6c 65 73 00 1b 00 00 00 4f 43 28 3d | ....0.....^..?...smiles.....OC(= |
20ba0 | 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 74 65 64 5f | O)COc1cc(Cl)c(cc1Cl)Cl..updated_ |
20bc0 | 61 74 00 fb e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e4 af bf c6 52 01 00 00 10 | at.....R....created_at.....R.... |
20be0 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0a 00 00 00 02 69 6e | default_fingerprint_size......in |
20c00 | 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 39 2d 34 2d | chi.K...InChI=1S/C8H5Cl3O3/c9-4- |
20c20 | 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 31 33 2f 68 | 1-6(11)7(2-5(4)10)14-3-8(12)13/h |
20c40 | 31 2d 32 48 2c 33 48 32 2c 28 48 2c 31 32 2c 31 33 29 00 00 c1 03 00 00 07 5f 69 64 00 56 ba 0c | 1-2H,3H2,(H,12,13)......._id.V.. |
20c60 | 35 2b 72 ed 35 6f 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 | 5+r.5o....warnings.......fingerp |
20c80 | 72 69 6e 74 73 00 83 01 00 00 04 4d 50 32 44 00 78 01 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 | rints......MP2D.x....0.....1;1-1 |
20ca0 | 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 32 2d 31 3b | -1;2-1-1;2-1-19;..1.....1;1-2-1; |
20cc0 | 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 39 3b 31 2d | 1-1-19;2-1-1;2-1-3;..2.....19;1- |
20ce0 | 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 00 00 33 3b | 2-1;1-1-3;2-4-1;2-2-3;..3.#...3; |
20d00 | 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; |
20d20 | 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 3b 32 2d 32 | ..4.#...3;1-2-3;1-1-19;2-2-3;2-2 |
20d40 | 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 31 2d 31 3b | -9;2-1-19;..5.....3;1-2-3;2-1-1; |
20d60 | 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 3b 31 2d 32 | 2-2-3;2-1-19;..6.....3;1-1-1;1-2 |
20d80 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 37 00 16 00 00 00 31 39 3b 31 2d 31 2d 33 | -3;2-2-3;2-3-16;..7.....19;1-1-3 |
20da0 | 3b 31 2d 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 | ;1-2-9;2-2-3;..8.....9;1-1-19;2- |
20dc0 | 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 39 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 | 1-3;2-1-9;..9.....1;1-1-3;1-3-16 |
20de0 | 3b 32 2d 32 2d 33 3b 00 02 31 30 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 | ;2-2-3;..10.....16;1-1-1;2-1-3;2 |
20e00 | 2d 32 2d 31 36 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c | -2-16;....dataset_ids......0.V.. |
20e20 | 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b | 4+r.5o....1.V..:+r.5o....2.V..;+ |
20e40 | 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed | r.5o....3.V..<+r.5o....4.V..=+r. |
20e60 | 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f | 5o....5.V..>+r.5o....6.V..?+r.5o |
20e80 | 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 | ....7.V..@+r.5o....8.V..@+r.5o.. |
20ea0 | ce 07 39 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 30 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 | ..9.V..A+r.5o....10.V..B+r.5o... |
20ec0 | 07 31 31 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 | .11.V..C+r.5o....12.V..C+r.5o... |
20ee0 | 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 | ..features.:....56ba0c342b72ed35 |
20f00 | 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 1b e6 25 62 ae 8a be 3f 01 31 00 c5 9b ad 3c 58 | 6f000000......0...%b...?.1....<X |
20f20 | dc 07 40 00 00 02 73 6d 69 6c 65 73 00 30 00 00 00 43 43 28 4e 28 63 31 63 28 63 63 28 63 63 31 | ..@...smiles.0...CC(N(c1c(cc(cc1 |
20f40 | 4e 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 28 43 29 43 29 43 | N(=O)=O)C(F)(F)F)N(=O)=O)C(C)C)C |
20f60 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 e2 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.....R....created_at |
20f80 | 00 ea af bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | .....R....default_fingerprint_si |
20fa0 | 7a 65 00 0b 00 00 00 02 69 6e 63 68 69 00 62 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 33 48 31 | ze......inchi.b...InChI=1S/C13H1 |
20fc0 | 36 46 33 4e 33 4f 34 2f 63 31 2d 37 28 32 29 31 37 28 38 28 33 29 34 29 31 32 2d 31 30 28 31 38 | 6F3N3O4/c1-7(2)17(8(3)4)12-10(18 |
20fe0 | 28 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 | (20)21)5-9(13(14,15)16)6-11(12)1 |
21000 | 39 28 32 32 29 32 33 2f 68 35 2d 38 48 2c 31 2d 34 48 33 00 00 af 02 00 00 07 5f 69 64 00 56 ba | 9(22)23/h5-8H,1-4H3......._id.V. |
21020 | 0c 35 2b 72 ed 35 6f 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 | .5+r.5o....warnings.......finger |
21040 | 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 00 00 00 31 3b 31 2d | prints......MP2D......0.....1;1- |
21060 | 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 32 2d 33 3b | 1-3;2-2-3;..1.....3;1-1-1;1-2-3; |
21080 | 32 2d 31 2d 31 3b 32 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 | 2-1-1;2-2-3;..2.....3;1-2-3;2-1- |
210a0 | 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 31 | 1;2-2-3;2-1-19;..3.....3;1-2-3;1 |
210c0 | 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 10 00 00 00 31 39 3b 31 2d 31 | -1-19;2-1-1;2-2-3;..4.....19;1-1 |
210e0 | 2d 33 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 32 2d 33 3b 32 | -3;2-2-3;..5.....3;1-1-1;1-2-3;2 |
21100 | 2d 32 2d 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 32 2d | -2-3;2-1-19;..6.....3;1-2-3;2-2- |
21120 | 31 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 | 1;2-2-3;....dataset_ids......0.V |
21140 | ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c | ..4+r.5o....1.V..:+r.5o....2.V.. |
21160 | 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b | ;+r.5o....3.V..<+r.5o....4.V..=+ |
21180 | 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 ed | r.5o....5.V..=+r.5o....6.V..?+r. |
211a0 | 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f | 5o....7.V..@+r.5o....8.V..A+r.5o |
211c0 | 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 | ....9.V..B+r.5o....10.V..C+r.5o. |
211e0 | 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 | ....features./....56ba0c342b72ed |
21200 | 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 23 95 83 7a 34 d2 dd 3f 00 00 02 73 6d 69 | 356f000000......0.#..z4..?...smi |
21220 | 6c 65 73 00 11 00 00 00 43 63 31 63 63 28 4e 29 63 28 63 63 31 43 29 43 00 09 75 70 64 61 74 65 | les.....Cc1cc(N)c(cc1C)C..update |
21240 | 64 5f 61 74 00 75 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ef af bf c6 52 01 00 | d_at.u...R....created_at.....R.. |
21260 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 07 00 00 00 02 | ..default_fingerprint_size...... |
21280 | 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 34 | inchi.9...InChI=1S/C9H13N/c1-6-4 |
212a0 | 2d 38 28 33 29 39 28 31 30 29 35 2d 37 28 36 29 32 2f 68 34 2d 35 48 2c 31 30 48 32 2c 31 2d 33 | -8(3)9(10)5-7(6)2/h4-5H,10H2,1-3 |
212c0 | 48 33 00 00 5c 09 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 9b 04 77 61 72 6e 69 6e | H3..\...._id.V..5+r.5o....warnin |
212e0 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 45 06 00 00 04 4d 50 32 44 00 | gs.......fingerprints.E....MP2D. |
21300 | 3a 06 00 00 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 | :....0.....9;1-1-2;2-1-1;..1.... |
21320 | 00 32 3b 31 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 | .2;1-1-1;1-1-9;2-1-1;..2.....1;1 |
21340 | 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 31 | -1-1;1-1-2;2-2-1;2-1-9;..3.....1 |
21360 | 3b 31 2d 33 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 | ;1-3-1;2-2-1;2-1-2;2-1-8;..4.... |
21380 | 00 31 3b 31 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 | .1;1-2-1;2-3-1;2-1-2;..5.!...1;1 |
213a0 | 2d 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 | -2-1;1-1-2;2-1-1;2-1-2;2-1-9;..6 |
213c0 | 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 37 00 21 00 00 | .....1;1-1-1;2-1-1;2-1-2;..7.!.. |
213e0 | 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 |
21400 | 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 39 | ;..8.....9;1-1-2;2-1-1;2-1-2;..9 |
21420 | 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 3b 00 | .....2;1-2-2;2-1-1;2-1-2;2-1-9;. |
21440 | 02 31 30 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 31 31 | .10.....2;1-2-2;2-1-1;2-2-2;..11 |
21460 | 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 3b 00 | .....2;1-1-1;1-2-2;2-1-1;2-1-2;. |
21480 | 02 31 32 00 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 | .12.....2;1-1-1;1-1-2;2-3-1;2-1- |
214a0 | 32 3b 00 02 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 | 2;..13.!...1;1-2-1;1-1-2;2-1-1;2 |
214c0 | 2d 31 2d 32 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 | -1-2;2-2-8;..14.....1;1-2-1;1-1- |
214e0 | 38 3b 32 2d 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 | 8;2-2-1;2-2-2;..15.....8;1-1-1;1 |
21500 | 2d 31 2d 32 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 | -1-2;2-3-1;2-1-9;..16.....2;1-1- |
21520 | 31 3b 31 2d 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 | 1;1-1-8;1-1-9;2-2-1;..17.....9;1 |
21540 | 2d 31 2d 32 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 | -1-2;2-1-1;2-1-8;..18.!...1;1-1- |
21560 | 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 31 39 00 1b | 1;1-1-2;2-1-1;2-2-8;2-1-9;..19.. |
21580 | 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 32 | ...1;1-2-1;1-1-8;2-2-1;2-1-2;..2 |
215a0 | 30 00 15 00 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 | 0.....1;1-3-1;2-2-1;2-2-8;..21.. |
215c0 | 00 00 00 31 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 | ...1;1-2-1;1-1-8;2-5-1;..22..... |
215e0 | 38 3b 31 2d 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 | 8;1-2-1;2-4-1;2-1-8;..23.....1;1 |
21600 | 2d 32 2d 31 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 | -2-1;1-2-8;2-3-1;2-1-8;..24..... |
21620 | 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 00 02 32 35 00 1b 00 00 00 31 3b 31 | 1;1-1-1;2-1-1;2-2-8;..25.....1;1 |
21640 | 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 36 00 15 00 00 00 | -2-1;1-1-8;2-2-1;2-1-8;..26..... |
21660 | 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 37 00 21 00 00 00 31 3b 31 | 1;1-1-1;2-1-1;2-1-8;..27.!...1;1 |
21680 | 2d 32 2d 31 3b 31 2d 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 | -2-1;1-1-8;2-3-1;2-1-5;2-1-8;..2 |
216a0 | 38 00 1b 00 00 00 31 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 | 8.....1;1-2-1;1-1-5;2-4-1;2-2-8; |
216c0 | 00 02 32 39 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 | ..29.!...1;1-2-1;1-1-8;2-2-1;2-1 |
216e0 | 2d 35 3b 32 2d 32 2d 38 3b 00 02 33 30 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b | -5;2-2-8;..30.....8;1-1-1;2-2-1; |
21700 | 00 02 33 31 00 0f 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 32 00 0f 00 00 00 | ..31.....5;1-3-1;2-2-1;..32..... |
21720 | 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 33 33 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 31 | 1;1-1-5;2-2-1;..33.....1;1-2-1;1 |
21740 | 2d 32 2d 38 3b 32 2d 33 2d 31 3b 00 02 33 34 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d | -2-8;2-3-1;..34.....1;1-2-1;1-1- |
21760 | 38 3b 32 2d 33 2d 31 3b 32 2d 32 2d 38 3b 00 02 33 35 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 31 | 8;2-3-1;2-2-8;..35.....1;1-3-1;1 |
21780 | 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 36 00 15 00 00 00 31 3b 31 2d 32 2d | -1-8;2-2-1;2-1-8;..36.....1;1-2- |
217a0 | 31 3b 32 2d 33 2d 31 3b 32 2d 33 2d 38 3b 00 02 33 37 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 | 1;2-3-1;2-3-8;..37.....1;1-1-1;2 |
217c0 | 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 38 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 33 2d | -2-1;2-1-8;..38.....8;1-1-1;2-3- |
217e0 | 31 3b 00 02 33 39 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 34 30 00 15 00 | 1;..39.....1;1-1-1;2-2-1;..40... |
21800 | 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 31 00 0f 00 00 00 31 | ..1;1-2-1;2-1-1;2-1-8;..41.....1 |
21820 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 34 32 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | ;1-1-1;2-1-1;..42.....1;1-1-1;1- |
21840 | 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 33 00 15 00 00 00 38 3b 31 2d 32 2d 31 | 1-8;2-2-1;2-1-2;..43.....8;1-2-1 |
21860 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 34 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | ;2-2-1;2-1-8;..44.....1;1-1-1;1- |
21880 | 32 2d 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 35 00 15 00 00 00 38 3b 31 2d 32 2d 31 | 2-8;2-3-1;2-1-8;..45.....8;1-2-1 |
218a0 | 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 36 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d | ;2-3-1;2-1-8;..46.....1;1-2-1;1- |
218c0 | 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 34 37 00 1b 00 00 00 31 3b 31 2d 32 2d 31 | 1-8;2-2-1;2-2-8;..47.....1;1-2-1 |
218e0 | 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 33 2d 38 3b 00 02 34 38 00 0f 00 00 00 38 3b 31 2d | ;1-1-8;2-2-1;2-3-8;..48.....8;1- |
21900 | 32 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 | 2-1;2-2-1;..49.....1;1-1-8;2-1-1 |
21920 | 3b 00 02 35 30 00 0f 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 00 00 04 64 61 74 61 | ;..50.....1;1-1-2;2-2-2;....data |
21940 | 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba | set_ids......0.V..4+r.5o....1.V. |
21960 | 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c | .9+r.5o....2.V..;+r.5o....3.V..< |
21980 | 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 | +r.5o....4.V..=+r.5o....5.V..>+r |
219a0 | ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 | .5o....6.V..?+r.5o....7.V..@+r.5 |
219c0 | 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 | o....8.V..A+r.5o....9.V..B+r.5o. |
219e0 | 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 | ...10.V..C+r.5o.....features./.. |
21a00 | 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 | ..56ba0c342b72ed356f000000...... |
21a20 | 30 00 53 98 79 60 47 f2 e0 3f 00 00 02 73 6d 69 6c 65 73 00 7a 00 00 00 4f 3d 43 43 43 31 43 43 | 0.S.y`G..?...smiles.z...O=CCC1CC |
21a40 | 28 43 29 43 28 3d 4f 29 43 3d 43 43 28 3d 43 43 28 43 28 4f 43 28 3d 4f 29 43 43 28 43 28 43 31 | (C)C(=O)C=CC(=CC(C(OC(=O)CC(C(C1 |
21a60 | 4f 43 31 28 43 29 4f 43 28 43 29 43 28 43 28 43 31 4f 29 4e 28 43 29 43 29 4f 43 31 28 43 29 4f | OC1(C)OC(C)C(C(C1O)N(C)C)OC1(C)O |
21a80 | 43 28 43 29 43 28 43 28 43 31 29 28 43 29 4f 29 4f 29 43 29 4f 29 43 43 29 43 4f 43 31 4f 43 28 | C(C)C(C(C1)(C)O)O)C)O)CC)COC1OC( |
21aa0 | 43 29 43 28 43 28 43 31 4f 43 29 4f 43 29 4f 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 67 e8 | C)C(C(C1OC)OC)O)C..updated_at.g. |
21ac0 | bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f8 af bf c6 52 01 00 00 10 64 65 66 61 75 | ..R....created_at.....R....defau |
21ae0 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 33 00 00 00 02 69 6e 63 68 69 00 1c | lt_fingerprint_size.3....inchi.. |
21b00 | 01 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 38 48 38 31 4e 4f 31 37 2f 63 31 2d 31 35 2d 33 35 2d | ...InChI=1S/C48H81NO17/c1-15-35- |
21b20 | 33 32 28 32 33 2d 36 30 2d 34 35 2d 34 32 28 35 39 2d 31 34 29 34 31 28 35 38 2d 31 33 29 33 38 | 32(23-60-45-42(59-14)41(58-13)38 |
21b40 | 28 35 34 29 32 38 28 35 29 36 31 2d 34 35 29 32 30 2d 32 35 28 32 29 31 36 2d 31 37 2d 33 33 28 | (54)28(5)61-45)20-25(2)16-17-33( |
21b60 | 35 31 29 32 36 28 33 29 32 31 2d 33 31 28 31 38 2d 31 39 2d 35 30 29 33 39 28 32 37 28 34 29 33 | 51)26(3)21-31(18-19-50)39(27(4)3 |
21b80 | 34 28 35 32 29 32 32 2d 33 36 28 35 33 29 36 32 2d 33 35 29 36 36 2d 34 38 28 31 30 29 34 34 28 | 4(52)22-36(53)62-35)66-48(10)44( |
21ba0 | 35 36 29 33 37 28 34 39 28 31 31 29 31 32 29 34 30 28 32 39 28 36 29 36 34 2d 34 38 29 36 35 2d | 56)37(49(11)12)40(29(6)64-48)65- |
21bc0 | 34 37 28 39 29 32 34 2d 34 36 28 38 2c 35 37 29 34 33 28 35 35 29 33 30 28 37 29 36 33 2d 34 37 | 47(9)24-46(8,57)43(55)30(7)63-47 |
21be0 | 2f 68 31 36 2d 31 37 2c 31 39 2d 32 30 2c 32 36 2d 33 32 2c 33 34 2d 33 35 2c 33 37 2d 34 35 2c | /h16-17,19-20,26-32,34-35,37-45, |
21c00 | 35 32 2c 35 34 2d 35 37 48 2c 31 35 2c 31 38 2c 32 31 2d 32 34 48 32 2c 31 2d 31 34 48 33 00 00 | 52,54-57H,15,18,21-24H2,1-14H3.. |
21c20 | 2f 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 9c 04 77 61 72 6e 69 6e 67 73 00 05 | /...._id.V..5+r.5o....warnings.. |
21c40 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 32 02 00 00 04 4d 50 32 44 00 27 02 00 00 | .....fingerprints.2....MP2D.'... |
21c60 | 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 21 00 00 00 32 3b 31 | .0.....2;1-1-2;2-1-1;..1.!...2;1 |
21c80 | 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 02 32 | -1-1;1-1-2;2-1-1;2-1-2;2-1-8;..2 |
21ca0 | 00 28 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 32 3b 32 | .(...1;1-1-1;1-2-2;1-1-8;2-2-2;2 |
21cc0 | 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 2d | -1-9;2-1-28;..3.....1;1-1-1;2-2- |
21ce0 | 32 3b 32 2d 31 2d 38 3b 00 02 34 00 28 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d | 2;2-1-8;..4.(...8;1-1-1;1-1-2;2- |
21d00 | 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 35 00 28 00 00 00 32 | 1-1;2-2-2;2-1-9;2-1-28;..5.(...2 |
21d20 | 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; |
21d40 | 32 2d 31 2d 33 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 | 2-1-3;..6.....9;1-1-2;2-1-8;2-1- |
21d60 | 32 38 3b 00 02 37 00 28 00 00 00 32 38 3b 31 2d 32 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b | 28;..7.(...28;1-2-2;1-1-3;2-1-1; |
21d80 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 38 00 2e 00 00 00 32 3b 31 2d 31 2d | 2-2-3;2-1-8;2-2-9;..8.....2;1-1- |
21da0 | 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 |
21dc0 | 3b 32 2d 31 2d 38 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 | ;2-1-8;..9.....9;1-1-2;2-1-1;2-1 |
21de0 | 2d 32 38 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 32 2d | -28;..10.....3;1-2-3;1-1-28;2-2- |
21e00 | 32 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 | 2;2-2-3;..11.....3;1-2-3;2-2-3;2 |
21e20 | 2d 31 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | -1-15;2-1-28;..12.....3;1-2-3;1- |
21e40 | 31 2d 31 35 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 | 1-15;2-2-3;..13.....15;1-1-3;2-2 |
21e60 | 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 32 2d 31 35 | -3;..14.....3;1-2-3;2-2-3;2-2-15 |
21e80 | 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 | ;....dataset_ids......0.V..4+r.5 |
21ea0 | 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 | o....1.V..:+r.5o....2.V..;+r.5o. |
21ec0 | 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 | ...3.V..<+r.5o....4.V..=+r.5o... |
21ee0 | 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 | .5.V..=+r.5o....6.V..?+r.5o....7 |
21f00 | 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 | .V..@+r.5o....8.V..A+r.5o....9.V |
21f20 | ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 | ..B+r.5o....10.V..C+r.5o.....fea |
21f40 | 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 | tures./....56ba0c342b72ed356f000 |
21f60 | 30 30 30 00 10 00 00 00 01 30 00 82 bf 9f ae 95 4e d0 3f 00 00 02 73 6d 69 6c 65 73 00 26 00 00 | 000......0......N.?...smiles.&.. |
21f80 | 00 43 3d 43 43 31 28 43 29 4f 43 28 3d 4f 29 4e 28 43 31 3d 4f 29 63 31 63 63 28 43 6c 29 63 63 | .C=CC1(C)OC(=O)N(C1=O)c1cc(Cl)cc |
21fa0 | 28 63 31 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 73 e9 bf c6 52 01 00 00 09 63 72 65 61 | (c1)Cl..updated_at.s...R....crea |
21fc0 | 74 65 64 5f 61 74 00 fe af bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at.....R....default_fingerpr |
21fe0 | 69 6e 74 5f 73 69 7a 65 00 0f 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 |
22000 | 2f 43 31 32 48 39 43 6c 32 4e 4f 33 2f 63 31 2d 33 2d 31 32 28 32 29 31 30 28 31 36 29 31 35 28 | /C12H9Cl2NO3/c1-3-12(2)10(16)15( |
22020 | 31 31 28 31 37 29 31 38 2d 31 32 29 39 2d 35 2d 37 28 31 33 29 34 2d 38 28 31 34 29 36 2d 39 2f | 11(17)18-12)9-5-7(13)4-8(14)6-9/ |
22040 | 68 33 2d 36 48 2c 31 48 32 2c 32 48 33 00 00 62 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 | h3-6H,1H2,2H3..b...._id.V..5+r.5 |
22060 | 6f 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 69 6e 74 73 | o....warnings.......fingerprints |
22080 | 00 4c 02 00 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 | .L....MP2D.A....0.....8;1-1-1;2- |
220a0 | 32 2d 31 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 32 2d 31 3b | 2-1;..1.....1;1-2-1;1-1-8;2-2-1; |
220c0 | 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 00 02 33 00 | ..2.....1;1-2-1;2-2-1;2-1-8;..3. |
220e0 | 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 34 00 15 00 00 00 31 3b 31 2d 32 2d | ....1;1-2-1;2-2-1;..4.....1;1-2- |
22100 | 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 35 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | 1;2-1-1;2-1-3;..5.....1;1-1-1;1- |
22120 | 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b | 1-3;2-1-1;2-2-3;..6.!...3;1-1-1; |
22140 | 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 37 00 1b 00 00 00 | 1-2-3;2-1-1;2-1-2;2-2-3;..7..... |
22160 | 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 38 00 15 00 | 3;1-2-3;2-1-1;2-2-3;2-1-8;..8... |
22180 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 00 02 39 00 0f 00 00 00 38 3b | ..3;1-2-3;1-1-8;2-2-3;..9.....8; |
221a0 | 31 2d 31 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 32 | 1-1-3;2-2-3;..10.....3;1-2-3;2-2 |
221c0 | 2d 33 3b 32 2d 32 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 | -3;2-2-8;..11.....3;1-2-3;1-1-8; |
221e0 | 32 2d 31 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 | 2-1-2;2-2-3;..12.'...3;1-1-2;1-2 |
22200 | 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 39 3b 00 02 31 33 00 | -3;2-1-1;2-2-3;2-2-8;2-1-9;..13. |
22220 | 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- |
22240 | 32 2d 33 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 | 2-3;..14.....9;1-1-2;2-1-3;2-1-8 |
22260 | 3b 00 02 31 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 | ;..15.!...8;1-1-1;1-1-2;2-2-1;2- |
22280 | 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 36 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 | 1-3;2-1-9;..16.....1;1-2-1;1-1-8 |
222a0 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 37 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d | ;2-1-1;2-1-2;..17.....1;1-1-1;2- |
222c0 | 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 | 1-1;2-1-8;....dataset_ids......0 |
222e0 | 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 | .V..4+r.5o....1.V..:+r.5o....2.V |
22300 | ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c | ..;+r.5o....3.V..<+r.5o....4.V.. |
22320 | 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b | =+r.5o....5.V..=+r.5o....6.V..?+ |
22340 | 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed | r.5o....7.V..@+r.5o....8.V..A+r. |
22360 | 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 | 5o....9.V..B+r.5o....10.V..C+r.5 |
22380 | 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 | o.....features./....56ba0c342b72 |
223a0 | 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 65 44 c7 3f ea 53 44 3f 00 00 02 73 | ed356f000000......0.eD.?.SD?...s |
223c0 | 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 63 32 43 28 | miles.%...OC1CCCCCc2cc(O)cc(c2C( |
223e0 | 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 62 e9 bf c6 52 | =O)OC(CCC1)C)O..updated_at.b...R |
22400 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 0d b0 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.....R....default_ |
22420 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 12 00 00 00 02 69 6e 63 68 69 00 70 00 00 00 | fingerprint_size......inchi.p... |
22440 | 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 39 2d 31 34 | InChI=1S/C18H26O5/c1-12-6-5-9-14 |
22460 | 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 2d 31 36 28 | (19)8-4-2-3-7-13-10-15(20)11-16( |
22480 | 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 31 34 2c 31 | 21)17(13)18(22)23-12/h10-12,14,1 |
224a0 | 39 2d 32 31 48 2c 32 2d 39 48 32 2c 31 48 33 00 00 df 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 | 9-21H,2-9H2,1H3......._id.V..5+r |
224c0 | ed 35 6f 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 70 72 69 6e | .5o....warnings.......fingerprin |
224e0 | 74 73 00 e1 01 00 00 04 4d 50 32 44 00 d6 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; |
22500 | 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- |
22520 | 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 38 3b 31 2d | 1;2-1-9;..2.'...2;1-1-1;1-1-8;1- |
22540 | 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 00 00 39 3b | 1-9;2-1-1;2-2-3;2-1-8;..3.....9; |
22560 | 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 31 2d 31 2d | 1-1-2;2-1-1;2-1-8;..4.'...1;1-1- |
22580 | 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 39 3b | 2;1-2-3;1-1-8;2-4-3;2-1-8;2-1-9; |
225a0 | 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 00 02 36 00 | ..5.....8;1-1-1;2-1-2;2-2-3;..6. |
225c0 | 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 33 3b 32 2d | !...3;1-1-1;1-2-3;2-1-2;2-4-3;2- |
225e0 | 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 32 2d 33 3b | 1-8;..7.....3;1-2-3;2-1-1;2-2-3; |
22600 | 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 35 3b 32 2d | 2-1-15;..8.....3;1-2-3;1-1-15;2- |
22620 | 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 02 31 30 00 | 2-3;..9.....15;1-1-3;2-2-3;..10. |
22640 | 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 0f 00 | ....3;1-2-3;2-2-3;2-1-15;..11... |
22660 | 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 2d 33 2d 33 | ..3;1-2-3;2-3-3;..12.....3;1-3-3 |
22680 | 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 32 2d 33 3b 32 2d | ;2-1-1;2-4-3;..13.....3;1-2-3;2- |
226a0 | 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 2d 33 | 1-1;2-2-3;..14.....3;1-2-3;2-2-3 |
226c0 | 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 | ;....dataset_ids......0.V..4+r.5 |
226e0 | 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 | o....1.V..:+r.5o....2.V..;+r.5o. |
22700 | 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 | ...3.V..<+r.5o....4.V..=+r.5o... |
22720 | 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 | .5.V..=+r.5o....6.V..?+r.5o....7 |
22740 | 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 | .V..@+r.5o....8.V..A+r.5o....9.V |
22760 | ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 | ..B+r.5o....10.V..C+r.5o.....fea |
22780 | 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 | tures./....56ba0c342b72ed356f000 |
227a0 | 30 30 30 00 10 00 00 00 01 30 00 a2 36 0b 59 42 79 e1 3f 00 00 02 73 6d 69 6c 65 73 00 22 00 00 | 000......0..6.YBy.?...smiles.".. |
227c0 | 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 63 32 63 31 63 63 63 | .COC(=O)C1(O)c2cc(Cl)ccc2c2c1ccc |
227e0 | 63 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 88 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f | c2..updated_at.....R....created_ |
22800 | 61 74 00 13 b0 bf c6 52 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.....R....default_fingerprint_ |
22820 | 73 69 7a 65 00 0f 00 00 00 02 69 6e 63 68 69 00 5b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 | size......inchi.[...InChI=1S/C15 |
22840 | 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 29 31 32 2d 35 2d 33 | H11ClO3/c1-19-14(17)15(18)12-5-3 |
22860 | 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 31 33 28 31 31 29 31 | -2-4-10(12)11-7-6-9(16)8-13(11)1 |
22880 | 35 2f 68 32 2d 38 2c 31 38 48 2c 31 48 33 00 00 68 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed | 5/h2-8,18H,1H3..h...._id.V..5+r. |
228a0 | 35 6f 00 00 9f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | 5o....warnings.......fingerprint |
228c0 | 73 00 88 01 00 00 04 4d 50 32 44 00 7d 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; |
228e0 | 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 |
22900 | 2d 33 32 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 31 2d 31 3b | -32;2-1-1;2-1-8;..2."...1;1-1-1; |
22920 | 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 33 00 21 00 00 | 1-1-2;1-1-8;2-1-3;2-2-32;..3.!.. |
22940 | 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 |
22960 | 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 2d 32 | ;..4.....3;1-2-3;1-1-8;2-1-1;2-2 |
22980 | 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 38 3b 00 | -3;..5.....3;1-2-3;2-2-3;2-1-8;. |
229a0 | 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 00 00 00 33 3b 31 | .6.....3;1-2-3;2-2-3;..7.....3;1 |
229c0 | 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 2d | -2-3;2-2-3;2-1-15;..8.....3;1-2- |
229e0 | 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 39 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;1-1-15;2-2-3;..9.....3;1-2-3;2 |
22a00 | 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 35 3b 00 02 31 30 00 10 00 00 00 31 35 3b 31 2d | -2-3;2-1-8;2-1-15;..10.....15;1- |
22a20 | 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 | 1-3;2-2-3;..11.....1;1-1-1;2-1-2 |
22a40 | 3b 32 2d 31 2d 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba | ;2-1-8;....dataset_ids......0.V. |
22a60 | 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b | .4+r.5o....1.V..:+r.5o....2.V..; |
22a80 | 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 | +r.5o....3.V..<+r.5o....4.V..=+r |
22aa0 | ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 | .5o....5.V..>+r.5o....6.V..?+r.5 |
22ac0 | 6f 00 01 cb 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 | o....7.V..@+r.5o....8.V..A+r.5o. |
22ae0 | 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 | ...9.V..B+r.5o....10.V..C+r.5o.. |
22b00 | d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 | ...features./....56ba0c342b72ed3 |
22b20 | 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 5d 84 12 c2 b9 e6 df 3f 00 00 02 73 6d 69 6c | 56f000000......0.]......?...smil |
22b40 | 65 73 00 18 00 00 00 4f 43 28 3d 4f 29 43 28 4f 63 31 63 63 63 63 28 63 31 29 43 6c 29 43 00 09 | es.....OC(=O)C(Oc1cccc(c1)Cl)C.. |
22b60 | 75 70 64 61 74 65 64 5f 61 74 00 ad e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 18 | updated_at.....R....created_at.. |
22b80 | b0 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | ...R....default_fingerprint_size |
22ba0 | 00 0c 00 00 00 02 69 6e 63 68 69 00 47 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 39 43 6c 4f | ......inchi.G...InChI=1S/C9H9ClO |
22bc0 | 33 2f 63 31 2d 36 28 39 28 31 31 29 31 32 29 31 33 2d 38 2d 34 2d 32 2d 33 2d 37 28 31 30 29 35 | 3/c1-6(9(11)12)13-8-4-2-3-7(10)5 |
22be0 | 2d 38 2f 68 32 2d 36 48 2c 31 48 33 2c 28 48 2c 31 31 2c 31 32 29 00 00 d0 01 00 00 07 5f 69 64 | -8/h2-6H,1H3,(H,11,12)......._id |
22c00 | 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 a0 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..5+r.5o....warnings.......fin |
22c20 | 67 65 72 70 72 69 6e 74 73 00 29 00 00 00 04 4d 50 32 44 00 1e 00 00 00 02 30 00 12 00 00 00 31 | gerprints.)....MP2D......0.....1 |
22c40 | 32 3b 31 2d 33 2d 31 32 3b 32 2d 36 2d 31 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 | 2;1-3-12;2-6-12;....dataset_ids. |
22c60 | ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 | .....0.V..4+r.5o....1.V..9+r.5o. |
22c80 | 01 c1 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 | ...2.V..;+r.5o....3.V..<+r.5o... |
22ca0 | 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 | .4.V..=+r.5o....5.V..>+r.5o....6 |
22cc0 | 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 | .V..?+r.5o....7.V..@+r.5o....8.V |
22ce0 | ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba | ..A+r.5o....9.V..B+r.5o....10.V. |
22d00 | 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 | .C+r.5o.....features./....56ba0c |
22d20 | 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 c2 f0 23 a3 15 c3 | 342b72ed356f000000......0...#... |
22d40 | 27 40 00 00 02 73 6d 69 6c 65 73 00 0b 00 00 00 50 31 32 50 33 50 31 50 32 33 00 09 75 70 64 61 | '@...smiles.....P12P3P1P23..upda |
22d60 | 74 65 64 5f 61 74 00 71 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 1d b0 bf c6 52 | ted_at.q...R....created_at.....R |
22d80 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 01 00 00 | ....default_fingerprint_size.... |
22da0 | 00 02 69 6e 63 68 69 00 1b 00 00 00 49 6e 43 68 49 3d 31 53 2f 50 34 2f 63 31 2d 32 2d 33 28 31 | ..inchi.....InChI=1S/P4/c1-2-3(1 |
22dc0 | 29 34 28 31 29 32 00 00 0a 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 a1 04 77 61 | )4(1)2......._id.V..5+r.5o....wa |
22de0 | 72 6e 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 01 00 00 04 4d | rnings.......fingerprints.3....M |
22e00 | 50 32 44 00 28 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 |
22e20 | 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 2d 32 | .....1;1-2-1;2-1-1;..2.....1;1-2 |
22e40 | 2d 31 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 | -1;2-1-1;2-1-8;..3.....1;1-1-1;1 |
22e60 | 2d 31 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 | -1-8;2-2-1;..4.....8;1-2-1;2-2-1 |
22e80 | 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 31 3b 32 2d 31 | ;..5.....1;1-1-1;1-1-8;2-2-1;2-1 |
22ea0 | 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 31 2d 31 3b 32 | -8;..6.....1;1-2-1;1-1-8;2-1-1;2 |
22ec0 | 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 3b 00 02 38 00 15 | -1-8;..7.....8;1-2-1;2-3-1;..8.. |
22ee0 | 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 38 3b 00 02 39 00 0f 00 00 00 38 | ...1;1-2-1;1-1-8;2-1-8;..9.....8 |
22f00 | 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d | ;1-1-1;2-2-1;..10.....1;1-1-1;2- |
22f20 | 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 | 1-1;2-1-8;....dataset_ids......0 |
22f40 | 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 | .V..4+r.5o....1.V..:+r.5o....2.V |
22f60 | ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c | ..;+r.5o....3.V..<+r.5o....4.V.. |
22f80 | 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b | =+r.5o....5.V..>+r.5o....6.V..?+ |
22fa0 | 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 00 56 ba 0c 41 2b 72 ed | r.5o....7.V..@+r.5o....8.V..A+r. |
22fc0 | 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 | 5o....9.V..B+r.5o....10.V..C+r.5 |
22fe0 | 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 | o.....features./....56ba0c342b72 |
23000 | 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 37 20 56 18 b4 86 e5 3f 00 00 02 73 | ed356f000000......0.7.V....?...s |
23020 | 6d 69 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 | miles.....CCCCOCC(OCC(O)C)C..upd |
23040 | 61 74 65 64 5f 61 74 00 ea e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 24 b0 bf c6 | ated_at.....R....created_at.$... |
23060 | 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0b 00 | R....default_fingerprint_size... |
23080 | 00 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 32 32 4f 33 2f 63 | ...inchi.D...InChI=1S/C10H22O3/c |
230a0 | 31 2d 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 | 1-4-5-6-12-8-10(3)13-7-9(2)11/h9 |
230c0 | 2d 31 31 48 2c 34 2d 38 48 32 2c 31 2d 33 48 33 00 00 24 02 00 00 07 5f 69 64 00 56 ba 0c 35 2b | -11H,4-8H2,1-3H3..$...._id.V..5+ |
230e0 | 72 ed 35 6f 00 00 a2 04 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.5o....warnings.......fingerpri |
23100 | 6e 74 73 00 5f 00 00 00 04 4d 50 32 44 00 54 00 00 00 02 30 00 18 00 00 00 33 32 3b 31 2d 31 2d | nts._....MP2D.T....0.....32;1-1- |
23120 | 32 36 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 | 26;2-1-9;2-2-32;..1.....26;1-1-9 |
23140 | 3b 31 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 | ;1-3-32;..2.....9;1-1-26;2-3-32; |
23160 | 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f | ....dataset_ids......0.V..4+r.5o |
23180 | 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 | ....1.V..:+r.5o....2.V..;+r.5o.. |
231a0 | c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 | ..3.V..<+r.5o....4.V..=+r.5o.... |
231c0 | 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 | 5.V..=+r.5o....6.V..?+r.5o....7. |
231e0 | 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba | V..@+r.5o....8.V..A+r.5o....9.V. |
23200 | 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 | .B+r.5o....10.V..C+r.5o.....feat |
23220 | 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 | ures./....56ba0c342b72ed356f0000 |
23240 | 30 30 00 10 00 00 00 01 30 00 02 5f 04 fb f3 08 a7 3f 00 00 02 73 6d 69 6c 65 73 00 17 00 00 00 | 00......0.._.....?...smiles..... |
23260 | 5b 4f 2d 5d 5b 41 73 5d 28 3d 4f 29 28 5b 4f 2d 5d 29 5b 4f 2d 5d 00 09 75 70 64 61 74 65 64 5f | [O-][As](=O)([O-])[O-]..updated_ |
23280 | 61 74 00 72 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 2f b0 bf c6 52 01 00 00 10 | at.r...R....created_at./...R.... |
232a0 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 03 00 00 00 02 69 6e | default_fingerprint_size......in |
232c0 | 63 68 69 00 2d 00 00 00 49 6e 43 68 49 3d 31 53 2f 41 73 48 33 4f 34 2f 63 32 2d 31 28 33 2c 34 | chi.-...InChI=1S/AsH3O4/c2-1(3,4 |
232e0 | 29 35 2f 68 28 48 33 2c 32 2c 33 2c 34 2c 35 29 2f 70 2d 33 00 00 ab 03 00 00 07 5f 69 64 00 56 | )5/h(H3,2,3,4,5)/p-3......._id.V |
23300 | ba 0c 35 2b 72 ed 35 6f 00 00 a3 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..5+r.5o....warnings.......finge |
23320 | 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 00 00 31 36 3b | rprints......MP2D......0.....16; |
23340 | 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- |
23360 | 31 36 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 | 16;2-2-3;..2.....3;1-2-3;2-2-3;2 |
23380 | 2d 31 2d 31 36 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 | -1-16;..3.....3;1-2-3;2-2-3;2-1- |
233a0 | 32 37 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 37 3b 32 2d 31 2d 31 3b | 27;..4.....3;1-2-3;1-1-27;2-1-1; |
233c0 | 32 2d 33 2d 33 3b 00 02 35 00 1d 00 00 00 32 37 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 34 | 2-3-3;..5.....27;1-1-1;1-2-3;2-4 |
233e0 | 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 36 00 1e 00 00 00 31 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 32 | -3;2-1-11;..6.....1;1-1-11;1-1-2 |
23400 | 37 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 37 00 2b 00 00 00 31 31 3b 31 2d 31 2d 31 3b | 7;2-3-3;2-1-11;..7.+...11;1-1-1; |
23420 | 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 2d 32 37 | 1-1-3;1-1-11;2-1-3;2-1-11;2-1-27 |
23440 | 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 2d | ;..8.....3;1-2-11;2-1-1;2-1-3;2- |
23460 | 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 31 | 1-11;..9.....11;1-2-3;2-2-11;..1 |
23480 | 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 31 | 0.....3;1-2-11;2-1-3;2-1-11;..11 |
234a0 | 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 33 | .$...11;1-1-3;1-1-11;2-1-1;2-1-3 |
234c0 | 3b 32 2d 31 2d 31 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 | ;2-1-11;....dataset_ids......0.V |
234e0 | ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c | ..4+r.5o....1.V..:+r.5o....2.V.. |
23500 | 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b | ;+r.5o....3.V..<+r.5o....4.V..<+ |
23520 | 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed | r.5o....5.V..>+r.5o....6.V..?+r. |
23540 | 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f | 5o....7.V..@+r.5o....8.V..A+r.5o |
23560 | 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 | ....9.V..B+r.5o....10.V..C+r.5o. |
23580 | 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 | ....features./....56ba0c342b72ed |
235a0 | 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 b0 a3 45 e7 7e 5d 7f 3f 00 00 02 73 6d 69 | 356f000000......0...E.~].?...smi |
235c0 | 6c 65 73 00 25 00 00 00 46 63 31 63 63 63 28 63 63 31 29 5b 53 69 5d 28 63 31 63 63 63 28 63 63 | les.%...Fc1ccc(cc1)[Si](c1ccc(cc |
235e0 | 31 29 46 29 43 6e 31 63 6e 63 6e 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 1d e9 bf c6 52 01 00 | 1)F)Cn1cncn1..updated_at.....R.. |
23600 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 35 b0 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at.5...R....default_fi |
23620 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0c 00 00 00 02 69 6e 63 68 69 00 62 00 00 00 49 6e | ngerprint_size......inchi.b...In |
23640 | 43 68 49 3d 31 53 2f 43 31 35 48 31 32 46 32 4e 33 53 69 2f 63 31 36 2d 31 32 2d 31 2d 35 2d 31 | ChI=1S/C15H12F2N3Si/c16-12-1-5-1 |
23660 | 34 28 36 2d 32 2d 31 32 29 32 31 28 31 31 2d 32 30 2d 31 30 2d 31 38 2d 39 2d 31 39 2d 32 30 29 | 4(6-2-12)21(11-20-10-18-9-19-20) |
23680 | 31 35 2d 37 2d 33 2d 31 33 28 31 37 29 34 2d 38 2d 31 35 2f 68 31 2d 31 30 48 2c 31 31 48 32 00 | 15-7-3-13(17)4-8-15/h1-10H,11H2. |
236a0 | 00 0b 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 a4 04 77 61 72 6e 69 6e 67 73 00 | ......_id.V..5+r.5o....warnings. |
236c0 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 05 01 00 00 04 4d 50 32 44 00 fa 00 00 | ......fingerprints......MP2D.... |
236e0 | 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 23 00 00 00 38 | ..0.....1;1-1-8;2-1-12;..1.#...8 |
23700 | 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 35 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 30 | ;1-1-1;1-1-12;2-1-5;2-1-9;2-1-10 |
23720 | 3b 00 02 32 00 23 00 00 00 31 32 3b 31 2d 31 2d 35 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d | ;..2.#...12;1-1-5;1-1-8;1-1-9;1- |
23740 | 31 2d 31 30 3b 32 2d 32 2d 31 3b 00 02 33 00 1d 00 00 00 39 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d | 1-10;2-2-1;..3.....9;1-1-12;2-1- |
23760 | 35 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 00 02 34 00 23 00 00 00 31 30 3b 31 2d 31 2d 31 3b | 5;2-1-8;2-1-10;..4.#...10;1-1-1; |
23780 | 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 00 02 35 00 11 00 00 | 1-1-12;2-1-5;2-1-8;2-1-9;..5.... |
237a0 | 00 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 32 3b 00 02 36 00 1d 00 00 00 35 3b 31 2d 31 2d 31 | .1;1-1-10;2-1-12;..6.....5;1-1-1 |
237c0 | 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 30 3b 00 00 00 04 64 61 74 61 73 65 74 | 2;2-1-8;2-1-9;2-1-10;....dataset |
237e0 | 5f 69 64 73 00 db 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b | _ids......0.V..4+r.5o....1.V..:+ |
23800 | 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3b 2b 72 ed | r.5o....2.V..:+r.5o....3.V..;+r. |
23820 | 35 6f 00 01 c4 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 ba 0c 3c 2b 72 ed 35 6f | 5o....4.V..<+r.5o....5.V..<+r.5o |
23840 | 00 01 c7 07 36 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 37 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 | ....6.V..=+r.5o....7.V..>+r.5o.. |
23860 | ca 07 38 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 39 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 | ..8.V..?+r.5o....9.V..?+r.5o.... |
23880 | 31 30 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 31 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 | 10.V..@+r.5o....11.V..A+r.5o.... |
238a0 | 31 32 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 33 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 | 12.V..B+r.5o....13.V..C+r.5o.... |
238c0 | 03 66 65 61 74 75 72 65 73 00 45 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 | .features.E....56ba0c342b72ed356 |
238e0 | 66 30 30 30 30 30 30 00 26 00 00 00 01 30 00 88 1c 72 75 e9 1e 7a 3f 01 31 00 40 52 9e f6 eb 37 | f000000.&....0...ru..z?.1.@R...7 |
23900 | 47 3f 01 32 00 d4 2e 99 df 57 d5 60 3f 00 00 02 73 6d 69 6c 65 73 00 0d 00 00 00 43 4f 50 28 3d | G?.2.....W.`?...smiles.....COP(= |
23920 | 4f 29 28 53 43 29 4e 00 09 75 70 64 61 74 65 64 5f 61 74 00 b0 e9 bf c6 52 01 00 00 09 63 72 65 | O)(SC)N..updated_at.....R....cre |
23940 | 61 74 65 64 5f 61 74 00 3d b0 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at.=...R....default_fingerp |
23960 | 72 69 6e 74 5f 73 69 7a 65 00 07 00 00 00 02 69 6e 63 68 69 00 32 00 00 00 49 6e 43 68 49 3d 31 | rint_size......inchi.2...InChI=1 |
23980 | 53 2f 43 32 48 38 4e 4f 32 50 53 2f 63 31 2d 35 2d 36 28 33 2c 34 29 37 2d 32 2f 68 31 2d 32 48 | S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H |
239a0 | 33 2c 28 48 32 2c 33 2c 34 29 00 00 74 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 | 3,(H2,3,4)..t...._id.V..5+r.5o.. |
239c0 | a5 04 77 61 72 6e 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 | ..warnings.......fingerprints.z. |
239e0 | 00 00 04 4d 50 32 44 00 6f 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 | ...MP2D.o....0.....1;1-1-8;2-1-1 |
23a00 | 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 32 2d 31 2d 39 3b 32 | 2;..1.$...8;1-1-1;1-1-12;2-1-9;2 |
23a20 | 2d 31 2d 31 30 3b 32 2d 31 2d 32 38 3b 00 02 32 00 2a 00 00 00 31 32 3b 31 2d 31 2d 38 3b 31 2d | -1-10;2-1-28;..2.*...12;1-1-8;1- |
23a40 | 31 2d 39 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 | 1-9;1-1-10;1-1-28;2-2-1;2-1-2;.. |
23a60 | 33 00 1e 00 00 00 39 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d | 3.....9;1-1-12;2-1-8;2-1-10;2-1- |
23a80 | 32 38 3b 00 02 34 00 2a 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 | 28;..4.*...28;1-1-2;1-1-12;2-1-1 |
23aa0 | 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 30 3b 00 02 35 00 1d 00 00 00 32 3b 31 2d | ;2-1-8;2-2-9;2-1-10;..5.....2;1- |
23ac0 | 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 32 3b 00 02 36 00 16 00 00 00 | 1-1;1-1-9;1-1-28;2-1-12;..6..... |
23ae0 | 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 37 00 16 00 00 00 31 3b 31 | 9;1-1-2;2-1-1;2-1-28;..7.....1;1 |
23b00 | 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 38 00 24 00 00 00 31 30 3b 31 2d 31 | -1-2;2-1-9;2-1-28;..8.$...10;1-1 |
23b20 | 2d 31 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 39 | -1;1-1-12;2-1-8;2-1-9;2-1-28;..9 |
23b40 | 00 11 00 00 00 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 32 3b 00 00 00 04 64 61 74 61 73 65 74 | .....1;1-1-10;2-1-12;....dataset |
23b60 | 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b | _ids......0.V..4+r.5o....1.V..:+ |
23b80 | 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3b 2b 72 ed | r.5o....2.V..:+r.5o....3.V..;+r. |
23ba0 | 35 6f 00 01 c4 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f | 5o....4.V..<+r.5o....5.V..=+r.5o |
23bc0 | 00 01 c8 07 36 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 | ....6.V..>+r.5o....7.V..?+r.5o.. |
23be0 | cc 07 38 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 39 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 | ..8.V..@+r.5o....9.V..A+r.5o.... |
23c00 | 31 30 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 31 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 07 | 10.V..B+r.5o....11.V..C+r.5o.... |
23c20 | 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 | 12.V..C+r.5o.....features.:....5 |
23c40 | 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 1d | 6ba0c342b72ed356f000000......0.. |
23c60 | 58 10 c9 6d 75 c8 3f 01 31 00 8f 1b ee 2e eb f3 8b 3f 00 00 02 73 6d 69 6c 65 73 00 13 00 00 00 | X..mu.?.1........?...smiles..... |
23c80 | 43 4f 50 28 3d 4f 29 28 4e 43 28 3d 4f 29 43 29 53 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 cb | COP(=O)(NC(=O)C)SC..updated_at.. |
23ca0 | e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 45 b0 bf c6 52 01 00 00 10 64 65 66 61 | ...R....created_at.E...R....defa |
23cc0 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0a 00 00 00 02 69 6e 63 68 69 00 | ult_fingerprint_size......inchi. |
23ce0 | 3b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 34 48 31 30 4e 4f 33 50 53 2f 63 31 2d 34 28 36 29 35 | ;...InChI=1S/C4H10NO3PS/c1-4(6)5 |
23d00 | 2d 39 28 37 2c 38 2d 32 29 31 30 2d 33 2f 68 31 2d 33 48 33 2c 28 48 2c 35 2c 36 2c 37 29 00 00 | -9(7,8-2)10-3/h1-3H3,(H,5,6,7).. |
23d20 | a5 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 a6 04 77 61 72 6e 69 6e 67 73 00 05 | ....._id.V..5+r.5o....warnings.. |
23d40 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 be 01 00 00 04 4d 50 32 44 00 b3 01 00 00 | .....fingerprints......MP2D..... |
23d60 | 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 16 00 00 00 32 3b | .0.....9;1-1-2;2-2-28;..1.....2; |
23d80 | 31 2d 31 2d 39 3b 31 2d 32 2d 32 38 3b 32 2d 32 2d 33 3b 00 02 32 00 2a 00 00 00 32 38 3b 31 2d | 1-1-9;1-2-28;2-2-3;..2.*...28;1- |
23da0 | 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 38 3b 32 2d 31 | 1-2;1-1-3;2-1-3;2-1-9;2-1-18;2-1 |
23dc0 | 2d 32 38 3b 00 02 33 00 24 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 38 3b 31 2d 31 2d 32 | -28;..3.$...3;1-1-3;1-1-18;1-1-2 |
23de0 | 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 31 31 3b 00 02 34 00 25 00 00 00 33 3b 31 2d 31 2d 33 3b 31 | 8;2-1-2;2-2-11;..4.%...3;1-1-3;1 |
23e00 | 2d 31 2d 31 31 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 32 38 3b 00 02 35 00 1e | -1-11;2-1-11;2-1-18;2-1-28;..5.. |
23e20 | 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 38 3b | ...11;1-1-3;1-1-11;2-1-3;2-1-18; |
23e40 | 00 02 36 00 18 00 00 00 31 31 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 33 3b 00 | ..6.....11;1-1-11;1-1-18;2-2-3;. |
23e60 | 02 37 00 25 00 00 00 31 38 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 | .7.%...18;1-1-3;1-1-11;2-1-3;2-1 |
23e80 | 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 38 00 23 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d | -11;2-1-28;..8.#...28;1-1-2;1-1- |
23ea0 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 39 00 1c 00 00 00 33 3b 31 | 3;2-2-3;2-1-9;2-1-28;..9.....3;1 |
23ec0 | 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 31 30 00 16 00 00 | -2-3;1-1-28;2-1-2;2-2-3;..10.... |
23ee0 | 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 0f 00 00 00 33 | .3;1-2-3;2-2-3;2-1-28;..11.....3 |
23f00 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 | ;1-2-3;2-2-3;....dataset_ids.... |
23f20 | 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 | ..0.V..4+r.5o....1.V..:+r.5o.... |
23f40 | 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 | 2.V..;+r.5o....3.V..<+r.5o....4. |
23f60 | 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba | V..<+r.5o....5.V..>+r.5o....6.V. |
23f80 | 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 | .?+r.5o....7.V..@+r.5o....8.V..A |
23fa0 | 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b | +r.5o....9.V..B+r.5o....10.V..C+ |
23fc0 | 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 | r.5o.....features./....56ba0c342 |
23fe0 | 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 38 73 25 63 45 6f c1 3f 00 | b72ed356f000000......0.8s%cEo.?. |
24000 | 00 02 73 6d 69 6c 65 73 00 17 00 00 00 4f 3d 43 28 4e 63 31 63 6e 6e 73 31 29 4e 63 31 63 63 63 | ..smiles.....O=C(Nc1cnns1)Nc1ccc |
24020 | 63 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 3e e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 | cc1..updated_at.>...R....created |
24040 | 5f 61 74 00 4a b0 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at.J...R....default_fingerprint |
24060 | 5f 73 69 7a 65 00 0c 00 00 00 02 69 6e 63 68 69 00 4f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 | _size......inchi.O...InChI=1S/C9 |
24080 | 48 38 4e 34 4f 53 2f 63 31 34 2d 39 28 31 32 2d 38 2d 36 2d 31 30 2d 31 33 2d 31 35 2d 38 29 31 | H8N4OS/c14-9(12-8-6-10-13-15-8)1 |
240a0 | 31 2d 37 2d 34 2d 32 2d 31 2d 33 2d 35 2d 37 2f 68 31 2d 36 48 2c 28 48 32 2c 31 31 2c 31 32 2c | 1-7-4-2-1-3-5-7/h1-6H,(H2,11,12, |
240c0 | 31 34 29 00 00 ad 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 a7 04 77 61 72 6e 69 | 14)......._id.V..5+r.5o....warni |
240e0 | 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 00 00 04 4d 50 32 44 | ngs.......fingerprints......MP2D |
24100 | 00 8f 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 | ......0.....1;1-1-1;2-1-8;..1... |
24120 | 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 29 00 00 00 38 | ..1;1-1-1;1-1-8;2-1-12;..2.)...8 |
24140 | 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 3b | ;1-1-1;1-1-12;2-1-1;2-1-5;2-1-8; |
24160 | 32 2d 31 2d 31 38 3b 00 02 33 00 23 00 00 00 31 32 3b 31 2d 31 2d 35 3b 31 2d 32 2d 38 3b 31 2d | 2-1-18;..3.#...12;1-1-5;1-2-8;1- |
24180 | 31 2d 31 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 34 00 17 00 00 00 31 38 3b 31 2d 31 2d | 1-18;2-2-1;2-1-3;..4.....18;1-1- |
241a0 | 31 32 3b 32 2d 31 2d 35 3b 32 2d 32 2d 38 3b 00 02 35 00 29 00 00 00 38 3b 31 2d 31 2d 33 3b 31 | 12;2-1-5;2-2-8;..5.)...8;1-1-3;1 |
241c0 | 2d 31 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 31 38 3b 00 | -1-12;2-2-3;2-1-5;2-1-8;2-1-18;. |
241e0 | 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 32 3b 32 2d 32 2d 33 | .6."...3;1-2-3;1-1-8;2-1-2;2-2-3 |
24200 | 3b 32 2d 31 2d 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 | ;2-1-12;..7.....3;1-2-3;2-2-3;2- |
24220 | 31 2d 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 15 00 | 1-8;..8.....3;1-2-3;2-2-3;..9... |
24240 | 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 21 00 00 00 33 | ..3;1-2-3;2-1-2;2-2-3;..10.!...3 |
24260 | 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 32 2d 31 2d 39 3b 00 | ;1-1-2;1-2-3;2-2-3;2-2-8;2-1-9;. |
24280 | 02 31 31 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 | .11.!...2;1-1-3;1-1-8;1-1-9;2-1- |
242a0 | 31 3b 32 2d 32 2d 33 3b 00 02 31 32 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 | 1;2-2-3;..12.....9;1-1-2;2-1-3;2 |
242c0 | 2d 31 2d 38 3b 00 02 31 33 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d | -1-8;..13.!...8;1-1-1;1-1-2;2-2- |
242e0 | 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 34 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 31 | 1;2-1-3;2-1-9;..14.....1;1-2-1;1 |
24300 | 2d 31 2d 38 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 | -1-8;2-1-2;..15.....1;1-1-1;2-1- |
24320 | 31 3b 32 2d 31 2d 38 3b 00 02 31 36 00 23 00 00 00 35 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b | 1;2-1-8;..16.#...5;1-1-1;1-1-12; |
24340 | 32 2d 32 2d 31 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 | 2-2-1;2-2-8;2-1-18;..17.....1;1- |
24360 | 32 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 32 3b 00 02 31 38 00 15 00 00 00 31 3b 31 2d 31 2d | 2-1;1-1-5;2-1-12;..18.....1;1-1- |
24380 | 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 | 1;2-1-1;2-1-5;....dataset_ids... |
243a0 | 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 | ...0.V..4+r.5o....1.V..:+r.5o... |
243c0 | 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 | .2.V..;+r.5o....3.V..<+r.5o....4 |
243e0 | 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 | .V..=+r.5o....5.V..>+r.5o....6.V |
24400 | ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 00 56 ba 0c | ..?+r.5o....7.V..@+r.5o....8.V.. |
24420 | 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 | A+r.5o....9.V..B+r.5o....10.V..C |
24440 | 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 | +r.5o.....features./....56ba0c34 |
24460 | 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 98 f1 81 e4 c3 b7 57 3f | 2b72ed356f000000......0.......W? |
24480 | 00 00 02 73 6d 69 6c 65 73 00 25 00 00 00 43 43 4f 50 28 3d 53 29 28 4f 63 31 63 63 63 63 63 31 | ...smiles.%...CCOP(=S)(Oc1ccccc1 |
244a0 | 43 28 3d 4f 29 4f 43 28 43 29 43 29 4e 43 28 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 f3 | C(=O)OC(C)C)NC(C)C..updated_at.. |
244c0 | e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 4f b0 bf c6 52 01 00 00 10 64 65 66 61 | ...R....created_at.O...R....defa |
244e0 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 13 00 00 00 02 69 6e 63 68 69 00 | ult_fingerprint_size......inchi. |
24500 | 6d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 32 34 4e 4f 34 50 53 2f 63 31 2d 36 2d 31 38 | m...InChI=1S/C15H24NO4PS/c1-6-18 |
24520 | 2d 32 31 28 32 32 2c 31 36 2d 31 31 28 32 29 33 29 32 30 2d 31 34 2d 31 30 2d 38 2d 37 2d 39 2d | -21(22,16-11(2)3)20-14-10-8-7-9- |
24540 | 31 33 28 31 34 29 31 35 28 31 37 29 31 39 2d 31 32 28 34 29 35 2f 68 37 2d 31 32 48 2c 36 48 32 | 13(14)15(17)19-12(4)5/h7-12H,6H2 |
24560 | 2c 31 2d 35 48 33 2c 28 48 2c 31 36 2c 32 32 29 00 00 98 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b | ,1-5H3,(H,16,22)......._id.V..5+ |
24580 | 72 ed 35 6f 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 69 | r.5o....warnings.......fingerpri |
245a0 | 6e 74 73 00 9d 01 00 00 04 4d 50 32 44 00 92 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 | nts......MP2D......0.....1;1-1-1 |
245c0 | 30 3b 32 2d 31 2d 32 3b 00 02 31 00 1c 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 | 0;2-1-2;..1.....10;1-1-1;1-1-2;2 |
245e0 | 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 32 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 | -1-1;2-1-6;..2."...2;1-1-1;1-1-6 |
24600 | 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 00 22 00 00 00 36 3b 31 2d | ;1-1-10;2-1-1;2-1-8;..3."...6;1- |
24620 | 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 30 3b 00 02 34 | 1-2;1-1-8;2-1-1;2-1-2;2-1-10;..4 |
24640 | 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 3b 32 | ."...8;1-1-2;1-1-6;2-1-2;2-1-9;2 |
24660 | 2d 31 2d 32 38 3b 00 02 35 00 29 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d | -1-28;..5.)...2;1-1-8;1-1-9;1-1- |
24680 | 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 30 3b 00 02 36 00 16 00 00 00 39 3b | 28;2-1-1;2-1-6;2-1-10;..6.....9; |
246a0 | 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 37 00 2a 00 00 00 32 38 3b 31 2d | 1-1-2;2-1-8;2-1-28;..7.*...28;1- |
246c0 | 31 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 | 1-1;1-1-2;1-1-10;2-1-8;2-1-9;2-1 |
246e0 | 2d 32 38 3b 00 02 38 00 17 00 00 00 31 30 3b 31 2d 32 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d | -28;..8.....10;1-2-28;2-2-1;2-2- |
24700 | 32 3b 00 02 39 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 | 2;..9.....1;1-1-2;2-1-6;2-1-10;. |
24720 | 02 31 30 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 00 | .10.....1;1-1-28;2-1-2;2-1-10;.. |
24740 | 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 | ..dataset_ids......0.V..4+r.5o.. |
24760 | 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 | ..1.V..:+r.5o....2.V..;+r.5o.... |
24780 | 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 | 3.V..;+r.5o....4.V..=+r.5o....5. |
247a0 | 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba | V..>+r.5o....6.V..?+r.5o....7.V. |
247c0 | 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 | .@+r.5o....8.V..A+r.5o....9.V..B |
247e0 | 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 | +r.5o....10.V..C+r.5o.....featur |
24800 | 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 | es./....56ba0c342b72ed356f000000 |
24820 | 00 10 00 00 00 01 30 00 a0 20 fd a8 64 e3 9c 3f 00 00 02 73 6d 69 6c 65 73 00 26 00 00 00 43 53 | ......0.....d..?...smiles.&...CS |
24840 | 43 28 3d 4e 4f 43 28 3d 4f 29 4e 28 53 4e 28 43 28 3d 4f 29 4f 4e 3d 43 28 53 43 29 43 29 43 29 | C(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C) |
24860 | 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 d2 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 | C)C..updated_at.....R....created |
24880 | 5f 61 74 00 55 b0 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at.U...R....default_fingerprint |
248a0 | 5f 73 69 7a 65 00 0b 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 | _size......inchi.T...InChI=1S/C1 |
248c0 | 30 48 31 38 4e 34 4f 34 53 33 2f 63 31 2d 37 28 31 39 2d 35 29 31 31 2d 31 37 2d 39 28 31 35 29 | 0H18N4O4S3/c1-7(19-5)11-17-9(15) |
248e0 | 31 33 28 33 29 32 31 2d 31 34 28 34 29 31 30 28 31 36 29 31 38 2d 31 32 2d 38 28 32 29 32 30 2d | 13(3)21-14(4)10(16)18-12-8(2)20- |
24900 | 36 2f 68 31 2d 36 48 33 00 00 3f 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 a9 04 | 6/h1-6H3..?...._id.V..5+r.5o.... |
24920 | 77 61 72 6e 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 02 00 00 | warnings.......fingerprints..... |
24940 | 04 4d 50 32 44 00 0b 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......0.....1;1-1-1;2-1-8;. |
24960 | 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 32 3b 00 02 32 00 | .1.....1;1-1-1;1-1-8;2-1-12;..2. |
24980 | 23 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 | #...8;1-1-1;1-1-12;2-1-1;2-2-8;2 |
249a0 | 2d 31 2d 31 38 3b 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 | -1-18;..3.....12;1-3-8;1-1-18;2- |
249c0 | 32 2d 31 3b 32 2d 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 | 2-1;2-1-3;..4.....18;1-1-12;2-3- |
249e0 | 38 3b 00 02 35 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 | 8;..5.*...8;1-1-3;1-1-12;2-1-3;2 |
24a00 | 2d 32 2d 38 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 36 00 23 00 00 00 33 3b 31 2d 31 | -2-8;2-1-11;2-1-18;..6.#...3;1-1 |
24a20 | 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 2d 31 32 3b 00 02 37 | -3;1-1-8;1-1-11;2-2-3;2-1-12;..7 |
24a40 | 00 1c 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 | .....3;1-2-3;2-1-1;2-1-8;2-2-11; |
24a60 | 00 02 38 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 2d 32 | ..8.....3;1-1-1;1-1-3;1-1-11;2-2 |
24a80 | 2d 33 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 | -3;..9.....1;1-1-3;2-1-3;2-1-11; |
24aa0 | 00 02 31 30 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d | ..10.....11;1-2-3;2-2-1;2-1-3;2- |
24ac0 | 31 2d 31 31 3b 00 02 31 31 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 31 31 3b 32 2d 32 | 1-11;..11.....3;1-1-1;1-2-11;2-2 |
24ae0 | 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 32 00 23 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 | -1;2-2-3;..12.#...11;1-2-3;2-1-1 |
24b00 | 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 16 00 00 00 31 3b 31 | ;2-1-3;2-1-8;2-1-11;..13.....1;1 |
24b20 | 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 34 00 15 00 00 00 31 3b 31 2d 31 | -2-1;1-1-3;2-2-11;..14.....1;1-1 |
24b40 | 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb | -1;2-1-1;2-1-3;....dataset_ids.. |
24b60 | 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 | ....0.V..4+r.5o....1.V..:+r.5o.. |
24b80 | c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 | ..2.V..;+r.5o....3.V..<+r.5o.... |
24ba0 | 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 | 4.V..<+r.5o....5.V..=+r.5o....6. |
24bc0 | 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 38 00 56 ba | V..>+r.5o....7.V..?+r.5o....8.V. |
24be0 | 0c 3f 2b 72 ed 35 6f 00 01 cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c | .?+r.5o....9.V..@+r.5o....10.V.. |
24c00 | 41 2b 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c | A+r.5o....11.V..B+r.5o....12.V.. |
24c20 | 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 | C+r.5o.....features.:....56ba0c3 |
24c40 | 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 e0 9c 32 6e 05 30 74 | 42b72ed356f000000......0...2n.0t |
24c60 | 3f 01 31 00 61 53 97 fb c0 83 93 3f 00 00 02 73 6d 69 6c 65 73 00 21 00 00 00 43 43 4f 50 28 3d | ?.1.aS.....?...smiles.!...CCOP(= |
24c80 | 53 29 28 4f 63 31 63 63 28 43 29 6e 63 28 6e 31 29 43 28 43 29 43 29 4f 43 43 00 09 75 70 64 61 | S)(Oc1cc(C)nc(n1)C(C)C)OCC..upda |
24ca0 | 74 65 64 5f 61 74 00 a4 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 5a b0 bf c6 52 | ted_at.....R....created_at.Z...R |
24cc0 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0f 00 00 | ....default_fingerprint_size.... |
24ce0 | 00 02 69 6e 63 68 69 00 5c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 32 31 4e 32 4f 33 50 | ..inchi.\...InChI=1S/C12H21N2O3P |
24d00 | 53 2f 63 31 2d 36 2d 31 35 2d 31 38 28 31 39 2c 31 36 2d 37 2d 32 29 31 37 2d 31 31 2d 38 2d 31 | S/c1-6-15-18(19,16-7-2)17-11-8-1 |
24d20 | 30 28 35 29 31 33 2d 31 32 28 31 34 2d 31 31 29 39 28 33 29 34 2f 68 38 2d 39 48 2c 36 2d 37 48 | 0(5)13-12(14-11)9(3)4/h8-9H,6-7H |
24d40 | 32 2c 31 2d 35 48 33 00 00 57 02 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 aa 04 77 | 2,1-5H3..W...._id.V..5+r.5o....w |
24d60 | 61 72 6e 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 00 00 00 04 | arnings.......fingerprints.t.... |
24d80 | 4d 50 32 44 00 69 00 00 00 02 30 00 0f 00 00 00 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 | MP2D.i....0.....5;1-1-1;2-2-1;.. |
24da0 | 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 32 00 15 00 | 1.....1;1-2-1;1-1-5;2-2-1;..2... |
24dc0 | 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 00 02 33 00 0f 00 00 00 31 3b | ..1;1-2-1;2-2-1;2-1-5;..3.....1; |
24de0 | 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 | 1-2-1;2-2-1;....dataset_ids..... |
24e00 | 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 | .0.V..4+r.5o....1.V..:+r.5o....2 |
24e20 | 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 | .V..;+r.5o....3.V..;+r.5o....4.V |
24e40 | ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c | ..<+r.5o....5.V..=+r.5o....6.V.. |
24e60 | 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 38 00 56 ba 0c 40 2b | >+r.5o....7.V..?+r.5o....8.V..@+ |
24e80 | 72 ed 35 6f 00 01 ce 07 39 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 30 00 56 ba 0c 42 2b 72 | r.5o....9.V..A+r.5o....10.V..B+r |
24ea0 | ed 35 6f 00 01 d1 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 | .5o....11.V..B+r.5o....12.V..C+r |
24ec0 | ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 | .5o.....features.:....56ba0c342b |
24ee0 | 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 2a f2 f1 78 3a e0 e2 3f 01 31 | 72ed356f000000......0.*..x:..?.1 |
24f00 | 00 c9 88 1f b7 21 5c e3 3f 00 00 02 73 6d 69 6c 65 73 00 0a 00 00 00 4e 43 31 43 43 43 43 43 31 | .....!\.?...smiles.....NC1CCCCC1 |
24f20 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 7d ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.}...R....created_at |
24f40 | 00 5f b0 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | ._...R....default_fingerprint_si |
24f60 | 7a 65 00 04 00 00 00 02 69 6e 63 68 69 00 2d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 31 33 | ze......inchi.-...InChI=1S/C6H13 |
24f80 | 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 48 32 00 00 | N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2.. |
24fa0 | ac 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 ab 04 77 61 72 6e 69 6e 67 73 00 05 | ....._id.V..5+r.5o....warnings.. |
24fc0 | 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 69 01 00 00 | .....fingerprints.t....MP2D.i... |
24fe0 | 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 |
25000 | 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 31 3b 32 2d 32 2d 31 | -2-1;2-1-1;..2.....1;1-2-1;2-2-1 |
25020 | 3b 00 02 33 00 0f 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 | ;..3.....1;1-2-1;2-3-1;..4.....1 |
25040 | 3b 31 2d 33 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 1b 00 00 00 31 3b 31 2d 31 | ;1-3-1;2-2-1;2-1-8;..5.....1;1-1 |
25060 | 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 36 00 21 00 00 00 38 3b 31 | -1;1-1-8;2-2-1;2-1-2;..6.!...8;1 |
25080 | 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 37 | -1-1;1-1-2;2-1-1;2-1-3;2-1-9;..7 |
250a0 | 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 3b 32 | .!...2;1-1-3;1-1-8;1-1-9;2-1-1;2 |
250c0 | 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 33 3b 32 2d 31 2d 38 | -2-3;..8.....9;1-1-2;2-1-3;2-1-8 |
250e0 | 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 2d 32 3b 32 2d 32 | ;..9.'...3;1-1-2;1-2-3;2-1-2;2-2 |
25100 | 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 3b 31 2d 32 2d 33 3b | -3;2-1-8;2-1-9;..10.....3;1-2-3; |
25120 | 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 32 2d 33 3b 32 2d 32 | 2-1-2;2-2-3;..11.....3;1-2-3;2-2 |
25140 | 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 | -3;....dataset_ids......0.V..4+r |
25160 | ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 | .5o....1.V..:+r.5o....2.V..;+r.5 |
25180 | 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 | o....3.V..<+r.5o....4.V..=+r.5o. |
251a0 | 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc | ...5.V..=+r.5o....6.V..?+r.5o... |
251c0 | 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 | .7.V..@+r.5o....8.V..A+r.5o....9 |
251e0 | 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 | .V..B+r.5o....10.V..C+r.5o.....f |
25200 | 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 | eatures./....56ba0c342b72ed356f0 |
25220 | 30 30 30 30 30 00 10 00 00 00 01 30 00 93 bc 7b 31 0b 63 e0 3f 00 00 02 73 6d 69 6c 65 73 00 29 | 00000......0...{1.c.?...smiles.) |
25240 | 00 00 00 43 43 43 43 43 28 43 4f 43 28 3d 4f 29 63 31 63 63 63 63 63 31 43 28 3d 4f 29 4f 43 43 | ...CCCCC(COC(=O)c1ccccc1C(=O)OCC |
25260 | 28 43 43 43 43 29 43 43 29 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 6c e9 bf c6 52 01 00 00 | (CCCC)CC)CC..updated_at.l...R... |
25280 | 09 63 72 65 61 74 65 64 5f 61 74 00 6c b0 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.l...R....default_fin |
252a0 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0c 00 00 00 02 69 6e 63 68 69 00 8e 00 00 00 49 6e 43 | gerprint_size......inchi.....InC |
252c0 | 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 39 28 37 2d 33 29 | hI=1S/C24H38O4/c1-5-9-13-19(7-3) |
252e0 | 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 2d 32 32 28 32 31 | 17-27-23(25)21-15-11-12-16-22(21 |
25300 | 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 36 2d 32 2f 68 31 | )24(26)28-18-20(8-4)14-10-6-2/h1 |
25320 | 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 31 34 2c 31 37 2d | 1-12,15-16,19-20H,5-10,13-14,17- |
25340 | 31 38 48 32 2c 31 2d 34 48 33 00 00 1a 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 | 18H2,1-4H3......._id.V..5+r.5o.. |
25360 | 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 73 00 17 01 | ..warnings.......fingerprints... |
25380 | 00 00 04 4d 50 32 44 00 0c 01 00 00 02 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d | ...MP2D......0.....32;1-1-2;2-1- |
253a0 | 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 3b | 1;2-1-32;..1.....2;1-1-1;1-2-32; |
253c0 | 32 2d 31 2d 35 3b 00 02 32 00 1c 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 35 3b 32 2d 31 2d | 2-1-5;..2.....1;1-1-2;1-1-5;2-1- |
253e0 | 31 3b 32 2d 32 2d 33 32 3b 00 02 33 00 16 00 00 00 35 3b 31 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 | 1;2-2-32;..3.....5;1-2-1;2-1-2;2 |
25400 | 2d 31 2d 31 32 3b 00 02 34 00 22 00 00 00 31 3b 31 2d 31 2d 35 3b 31 2d 31 2d 31 32 3b 32 2d 31 | -1-12;..4."...1;1-1-5;1-1-12;2-1 |
25420 | 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 35 00 1c 00 00 00 31 32 3b 31 2d 31 2d 31 3b | -1;2-2-8;2-1-9;..5.....12;1-1-1; |
25440 | 31 2d 32 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 35 3b 00 02 36 00 16 00 00 00 39 3b 31 2d 31 2d | 1-2-8;1-1-9;2-1-5;..6.....9;1-1- |
25460 | 31 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 00 02 37 00 1c 00 00 00 38 3b 31 2d 31 2d 31 32 3b | 12;2-1-1;2-2-8;..7.....8;1-1-12; |
25480 | 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 | 2-1-1;2-1-8;2-1-9;....dataset_id |
254a0 | 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 | s......0.V..4+r.5o....1.V..:+r.5 |
254c0 | 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 | o....2.V..;+r.5o....3.V..;+r.5o. |
254e0 | 01 c5 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 | ...4.V..<+r.5o....5.V..=+r.5o... |
25500 | 07 36 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 38 | .6.V..>+r.5o....7.V..?+r.5o....8 |
25520 | 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 30 00 | .V..@+r.5o....9.V..@+r.5o....10. |
25540 | 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 | V..A+r.5o....11.V..B+r.5o....12. |
25560 | 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 | V..C+r.5o.....features.:....56ba |
25580 | 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 1f e7 50 76 | 0c342b72ed356f000000......0...Pv |
255a0 | 8d a8 17 40 01 31 00 59 15 61 f4 dc 63 fc 3f 00 00 02 73 6d 69 6c 65 73 00 13 00 00 00 4f 43 28 | ...@.1.Y.a..c.?...smiles.....OC( |
255c0 | 3d 4f 29 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 cc e9 bf c6 | =O)CNCP(=O)(O)O..updated_at..... |
255e0 | 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 71 b0 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 | R....created_at.q...R....default |
25600 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 08 00 00 00 02 69 6e 63 68 69 00 44 00 00 | _fingerprint_size......inchi.D.. |
25620 | 00 49 6e 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 | .InChI=1S/C3H8NO5P/c5-3(6)1-4-2- |
25640 | 31 30 28 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 | 10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7, |
25660 | 38 2c 39 29 00 00 88 02 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 ad 04 77 61 72 6e | 8,9)......._id.V..5+r.5o....warn |
25680 | 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 00 00 00 04 4d 50 32 | ings.......fingerprints......MP2 |
256a0 | 44 00 8a 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 | D......0.....18;1-1-2;2-2-28;..1 |
256c0 | 00 17 00 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 | .....2;1-1-18;1-2-28;2-2-1;..2.$ |
256e0 | 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 31 38 3b 32 | ...28;1-1-1;1-1-2;2-1-1;2-1-18;2 |
25700 | 2d 31 2d 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 | -1-28;..3.....1;1-1-1;1-1-28;2-1 |
25720 | 2d 32 3b 32 2d 31 2d 32 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 | -2;2-1-28;....dataset_ids......0 |
25740 | 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 | .V..4+r.5o....1.V..:+r.5o....2.V |
25760 | ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c | ..;+r.5o....3.V..<+r.5o....4.V.. |
25780 | 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b | =+r.5o....5.V..>+r.5o....6.V..?+ |
257a0 | 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed | r.5o....7.V..@+r.5o....8.V..A+r. |
257c0 | 35 6f 00 01 cf 07 39 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 30 00 56 ba 0c 42 2b 72 ed 35 | 5o....9.V..A+r.5o....10.V..B+r.5 |
257e0 | 6f 00 01 d2 07 31 31 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 07 31 32 00 56 ba 0c 43 2b 72 ed 35 | o....11.V..C+r.5o....12.V..C+r.5 |
25800 | 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 45 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 | o.....features.E....56ba0c342b72 |
25820 | 65 64 33 35 36 66 30 30 30 30 30 30 00 26 00 00 00 01 30 00 5a a4 4e 49 8d 71 62 3f 01 31 00 6d | ed356f000000.&....0.Z.NI.qb?.1.m |
25840 | f5 28 23 1f 0c 64 3f 01 32 00 c8 32 f3 eb 26 0f 89 3f 00 00 02 73 6d 69 6c 65 73 00 0a 00 00 00 | .(#..d?.2..2..&..?...smiles..... |
25860 | 53 3d 43 31 4e 43 43 4e 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 2c ea bf c6 52 01 00 00 09 63 | S=C1NCCN1..updated_at.,...R....c |
25880 | 72 65 61 74 65 64 5f 61 74 00 76 b0 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.v...R....default_finge |
258a0 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 04 00 00 00 02 69 6e 63 68 69 00 32 00 00 00 49 6e 43 68 49 | rprint_size......inchi.2...InChI |
258c0 | 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 68 31 2d 32 48 | =1S/C3H6N2S/c6-3-4-1-2-5-3/h1-2H |
258e0 | 32 2c 28 48 32 2c 34 2c 35 2c 36 29 00 00 dc 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f | 2,(H2,4,5,6)......._id.V..5+r.5o |
25900 | 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 74 73 00 | ....warnings.......fingerprints. |
25920 | c0 01 00 00 04 4d 50 32 44 00 b5 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 | .....MP2D......0.....1;1-1-8;2-1 |
25940 | 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 32 2d 31 2d 31 | -28;..1.....8;1-1-1;1-1-28;2-1-1 |
25960 | 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 2d 32 3b 31 2d | ;2-1-2;..2.)...28;1-1-1;1-1-2;1- |
25980 | 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 22 00 00 00 32 | 1-8;2-1-1;2-1-9;2-1-28;..3."...2 |
259a0 | 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 2d 31 2d 38 3b | ;1-1-9;1-2-28;2-1-1;2-1-3;2-1-8; |
259c0 | 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 23 00 00 00 32 | ..4.....9;1-1-2;2-2-28;..5.#...2 |
259e0 | 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 |
25a00 | 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 2d 32 3b 32 2d | ;..6.....3;1-2-3;1-1-28;2-1-2;2- |
25a20 | 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 32 38 | 2-3;..7.....3;1-2-3;2-2-3;2-1-28 |
25a40 | 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 35 3b 00 02 | ;..8.....3;1-2-3;2-2-3;2-1-15;.. |
25a60 | 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 2d 31 | 9.....3;1-2-3;1-1-15;2-2-3;2-1-1 |
25a80 | 35 3b 00 02 31 30 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 | 5;..10.....3;1-2-3;2-2-3;2-1-15; |
25aa0 | 32 2d 31 2d 32 38 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 | 2-1-28;..11.....15;1-1-3;2-2-3;. |
25ac0 | 02 31 32 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 00 00 | .12.....1;1-1-28;2-1-2;2-1-8;... |
25ae0 | 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 | .dataset_ids......0.V..4+r.5o... |
25b00 | 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 33 | .1.V..9+r.5o....2.V..:+r.5o....3 |
25b20 | 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 | .V..;+r.5o....4.V..<+r.5o....5.V |
25b40 | ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c | ..=+r.5o....6.V..>+r.5o....7.V.. |
25b60 | 3f 2b 72 ed 35 6f 00 01 cc 07 38 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 39 00 56 ba 0c 41 2b | ?+r.5o....8.V..@+r.5o....9.V..A+ |
25b80 | 72 ed 35 6f 00 01 d0 07 31 30 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 31 00 56 ba 0c 43 2b | r.5o....10.V..B+r.5o....11.V..C+ |
25ba0 | 72 ed 35 6f 00 01 d3 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 | r.5o....12.V..C+r.5o.....feature |
25bc0 | 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 | s.:....56ba0c342b72ed356f000000. |
25be0 | 1b 00 00 00 01 30 00 5a a9 0e 74 70 b1 99 3f 01 31 00 ae ba 0b 90 f3 8d 84 3f 00 00 02 73 6d 69 | .....0.Z..tp..?.1........?...smi |
25c00 | 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 63 31 29 43 6c 29 | les.....CON(C(=O)Nc1ccc(c(c1)Cl) |
25c20 | 43 6c 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 5f e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 | Cl)C..updated_at._...R....create |
25c40 | 64 5f 61 74 00 7b b0 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.{...R....default_fingerprin |
25c60 | 74 5f 73 69 7a 65 00 0d 00 00 00 02 69 6e 63 68 69 00 53 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.S...InChI=1S/C |
25c80 | 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 34 29 31 32 2d 36 | 9H10Cl2N2O2/c1-13(15-2)9(14)12-6 |
25ca0 | 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 2d 32 48 33 2c 28 | -3-4-7(10)8(11)5-6/h3-5H,1-2H3,( |
25cc0 | 48 2c 31 32 2c 31 34 29 00 00 24 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 af 04 | H,12,14)..$...._id.V..5+r.5o.... |
25ce0 | 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 55 01 00 00 | warnings.......fingerprints.U... |
25d00 | 04 4d 50 32 44 00 4a 01 00 00 02 30 00 18 00 00 00 31 38 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 31 | .MP2D.J....0.....18;1-1-3;2-1-11 |
25d20 | 3b 32 2d 31 2d 31 38 3b 00 02 31 00 1e 00 00 00 33 3b 31 2d 31 2d 31 31 3b 31 2d 32 2d 31 38 3b | ;2-1-18;..1.....3;1-1-11;1-2-18; |
25d40 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 33 3b 00 02 32 00 1e 00 00 00 31 38 3b 31 2d 32 2d 33 3b 32 2d | 2-2-3;2-1-13;..2.....18;1-2-3;2- |
25d60 | 32 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 33 00 1d 00 00 00 33 3b 31 2d 32 2d | 2-3;2-1-11;2-1-18;..3.....3;1-2- |
25d80 | 33 3b 31 2d 31 2d 31 38 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 34 00 24 00 00 00 33 3b | 3;1-1-18;2-3-3;2-1-11;..4.$...3; |
25da0 | 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 32 2d 31 2d 31 38 | 1-2-3;1-1-11;2-3-3;2-1-13;2-1-18 |
25dc0 | 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 2d 32 2d 33 3b 32 | ;..5.....11;1-2-3;1-1-13;2-2-3;2 |
25de0 | 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 32 2d 33 3b 00 02 | -2-18;..6.....13;1-1-11;2-2-3;.. |
25e00 | 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 3b 00 02 38 00 0f | 7.....3;1-2-3;2-2-3;2-1-11;..8.. |
25e20 | 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 |
25e40 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 | ;2-2-3;2-1-18;....dataset_ids... |
25e60 | 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 | ...0.V..4+r.5o....1.V..:+r.5o... |
25e80 | 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 | .2.V..;+r.5o....3.V..<+r.5o....4 |
25ea0 | 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 | .V..=+r.5o....5.V..>+r.5o....6.V |
25ec0 | ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 00 56 ba 0c | ..?+r.5o....7.V..@+r.5o....8.V.. |
25ee0 | 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 | A+r.5o....9.V..B+r.5o....10.V..C |
25f00 | 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 | +r.5o.....features./....56ba0c34 |
25f20 | 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 bb d7 c3 7e e4 ef 11 40 | 2b72ed356f000000......0....~...@ |
25f40 | 00 00 02 73 6d 69 6c 65 73 00 15 00 00 00 53 3d 63 31 73 63 32 63 28 5b 6e 48 5d 31 29 63 63 63 | ...smiles.....S=c1sc2c([nH]1)ccc |
25f60 | 63 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 cb e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f | c2..updated_at.....R....created_ |
25f80 | 61 74 00 80 b0 bf c6 52 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.....R....default_fingerprint_ |
25fa0 | 73 69 7a 65 00 0a 00 00 00 02 69 6e 63 68 69 00 39 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 | size......inchi.9...InChI=1S/C7H |
25fc0 | 35 4e 53 32 2f 63 39 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 | 5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h |
25fe0 | 31 2d 34 48 2c 28 48 2c 38 2c 39 29 00 00 29 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f | 1-4H,(H,8,9)..)...._id.V..5+r.5o |
26000 | 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 00 | ....warnings.......fingerprints. |
26020 | 05 02 00 00 04 4d 50 32 44 00 fa 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 |
26040 | 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 31 2d 31 32 3b | -8;..1.....1;1-1-1;1-1-8;2-1-12; |
26060 | 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 2d 31 3b 32 2d 32 | ..2.#...8;1-1-1;1-1-12;2-1-1;2-2 |
26080 | 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 3b 31 2d 31 2d 31 | -8;2-1-18;..3.....12;1-3-8;1-1-1 |
260a0 | 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 2d 31 2d 31 32 3b | 8;2-2-1;2-1-3;..4.....18;1-1-12; |
260c0 | 32 2d 33 2d 38 3b 00 02 35 00 2a 00 00 00 38 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 32 3b 32 2d 31 | 2-3-8;..5.*...8;1-1-3;1-1-12;2-1 |
260e0 | 2d 33 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 36 00 2a 00 00 00 33 | -3;2-2-8;2-1-11;2-1-18;..6.*...3 |
26100 | 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 2d 31 32 | ;1-1-3;1-1-8;1-1-11;2-2-3;2-1-12 |
26120 | 3b 32 2d 31 2d 31 35 3b 00 02 37 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | ;2-1-15;..7.....11;1-2-3;2-2-3;2 |
26140 | 2d 31 2d 38 3b 32 2d 31 2d 31 35 3b 00 02 38 00 24 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d | -1-8;2-1-15;..8.$...3;1-1-3;1-1- |
26160 | 31 31 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 39 00 17 00 00 00 31 | 11;1-1-15;2-2-3;2-1-15;..9.....1 |
26180 | 35 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 24 00 00 00 33 3b | 5;1-1-3;2-1-3;2-1-11;..10.$...3; |
261a0 | 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 35 | 1-2-3;1-1-15;2-1-3;2-1-11;2-1-15 |
261c0 | 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 32 2d 31 35 3b 00 | ;..11.....3;1-2-3;2-2-3;2-2-15;. |
261e0 | 02 31 32 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 31 | .12.#...3;1-2-3;1-1-15;2-1-3;2-1 |
26200 | 2d 38 3b 32 2d 31 2d 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 | -8;2-1-11;..13.....15;1-1-3;2-2- |
26220 | 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed | 3;....dataset_ids......0.V..4+r. |
26240 | 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f | 5o....1.V..:+r.5o....2.V..;+r.5o |
26260 | 00 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 | ....3.V..;+r.5o....4.V..<+r.5o.. |
26280 | c6 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 | ..5.V..=+r.5o....6.V..>+r.5o.... |
262a0 | 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 38 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 39 00 | 7.V..?+r.5o....8.V..@+r.5o....9. |
262c0 | 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 31 30 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 31 00 | V..A+r.5o....10.V..A+r.5o....11. |
262e0 | 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 | V..B+r.5o....12.V..C+r.5o.....fe |
26300 | 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 | atures.:....56ba0c342b72ed356f00 |
26320 | 30 30 30 30 00 1b 00 00 00 01 30 00 90 72 c3 92 4d 35 9d 3f 01 31 00 a6 5b 9c a8 d7 5d 67 3f 00 | 0000......0..r..M5.?.1..[...]g?. |
26340 | 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 6e 63 28 43 6c 29 63 | ..smiles.!...CCOP(=S)(Oc1nc(Cl)c |
26360 | 28 63 63 31 43 6c 29 43 6c 29 4f 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 25 ea bf c6 52 01 | (cc1Cl)Cl)OCC..updated_at.%...R. |
26380 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 85 b0 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at.....R....default_f |
263a0 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0e 00 00 00 02 69 6e 63 68 69 00 57 00 00 00 49 | ingerprint_size......inchi.W...I |
263c0 | 6e 43 68 49 3d 31 53 2f 43 39 48 31 31 43 6c 33 4e 4f 33 50 53 2f 63 31 2d 33 2d 31 34 2d 31 37 | nChI=1S/C9H11Cl3NO3PS/c1-3-14-17 |
263e0 | 28 31 38 2c 31 35 2d 34 2d 32 29 31 36 2d 39 2d 37 28 31 31 29 35 2d 36 28 31 30 29 38 28 31 32 | (18,15-4-2)16-9-7(11)5-6(10)8(12 |
26400 | 29 31 33 2d 39 2f 68 35 48 2c 33 2d 34 48 32 2c 31 2d 32 48 33 00 00 16 02 00 00 07 5f 69 64 00 | )13-9/h5H,3-4H2,1-2H3......._id. |
26420 | 56 ba 0c 35 2b 72 ed 35 6f 00 00 b1 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..5+r.5o....warnings.......fing |
26440 | 65 72 70 72 69 6e 74 73 00 4b 00 00 00 04 4d 50 32 44 00 40 00 00 00 02 30 00 10 00 00 00 31 35 | erprints.K....MP2D.@....0.....15 |
26460 | 3b 31 2d 31 2d 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 | ;1-1-3;2-2-3;..1.....3;1-2-3;1-1 |
26480 | 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 | -15;2-2-3;2-2-15;....dataset_ids |
264a0 | 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f | ......0.V..4+r.5o....1.V..:+r.5o |
264c0 | 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 | ....2.V..;+r.5o....3.V..<+r.5o.. |
264e0 | c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 | ..4.V..=+r.5o....5.V..=+r.5o.... |
26500 | 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 | 6.V..?+r.5o....7.V..@+r.5o....8. |
26520 | 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 | V..A+r.5o....9.V..B+r.5o....10.V |
26540 | ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 | ..C+r.5o.....features./....56ba0 |
26560 | 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 27 c7 c5 ff 26 | c342b72ed356f000000......0.'...& |
26580 | af 50 3f 00 00 02 73 6d 69 6c 65 73 00 1d 00 00 00 43 6c 63 31 63 28 43 6c 29 63 28 43 6c 29 63 | .P?...smiles.....Clc1c(Cl)c(Cl)c |
265a0 | 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 57 e9 bf c6 52 01 | (c(c1Cl)Cl)Cl..updated_at.W...R. |
265c0 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 8a b0 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at.....R....default_f |
265e0 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 02 00 00 00 02 69 6e 63 68 69 00 2d 00 00 00 49 | ingerprint_size......inchi.-...I |
26600 | 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 29 36 28 31 32 | nChI=1S/C6Cl6/c7-1-2(8)4(10)6(12 |
26620 | 29 35 28 31 31 29 33 28 31 29 39 00 00 26 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 | )5(11)3(1)9..&...._id.V..5+r.5o. |
26640 | 00 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 1c | ...warnings.......fingerprints.. |
26660 | 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 2d 38 3b 32 2d 31 2d | ....MP2D......0.....1;1-1-8;2-1- |
26680 | 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 02 | 3;..1.....8;1-1-1;1-1-3;2-2-3;.. |
266a0 | 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; |
266c0 | 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 00 | ..3.....3;1-2-3;2-2-3;2-1-8;..4. |
266e0 | 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 1b 00 00 00 | ....3;1-2-3;2-1-1;2-2-3;..5..... |
26700 | 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 36 00 1c 00 | 3;1-1-1;1-2-3;2-1-1;2-3-3;..6... |
26720 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 32 2d 33 2d 31 35 3b 00 02 37 | ..1;1-1-1;1-2-3;2-4-3;2-3-15;..7 |
26740 | 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 33 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 38 00 17 00 | .....1;1-1-1;1-3-15;2-2-3;..8... |
26760 | 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 00 00 04 64 61 74 61 | ..15;1-1-1;2-1-1;2-2-15;....data |
26780 | 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba | set_ids......0.V..4+r.5o....1.V. |
267a0 | 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c | .:+r.5o....2.V..;+r.5o....3.V..< |
267c0 | 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 | +r.5o....4.V..=+r.5o....5.V..>+r |
267e0 | ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 | .5o....6.V..?+r.5o....7.V..@+r.5 |
26800 | 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 | o....8.V..A+r.5o....9.V..B+r.5o. |
26820 | 01 d1 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 | ...10.V..C+r.5o.....features./.. |
26840 | 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 | ..56ba0c342b72ed356f000000...... |
26860 | 30 00 d3 13 89 ed 19 25 d7 3f 00 00 02 73 6d 69 6c 65 73 00 27 00 00 00 43 4f 63 31 63 63 63 28 | 0......%.?...smiles.'...COc1ccc( |
26880 | 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 31 29 4f 43 00 09 | cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC.. |
268a0 | 75 70 64 61 74 65 64 5f 61 74 00 47 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 90 | updated_at.G...R....created_at.. |
268c0 | b0 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | ...R....default_fingerprint_size |
268e0 | 00 09 00 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 31 35 43 | ......inchi.b...InChI=1S/C16H15C |
26900 | 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 33 29 31 35 28 31 | l3O2/c1-20-13-7-3-11(4-8-13)15(1 |
26920 | 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 31 30 2d 36 2d 31 | 6(17,18)19)12-5-9-14(21-2)10-6-1 |
26940 | 32 2f 68 33 2d 31 30 2c 31 35 48 2c 31 2d 32 48 33 00 00 1b 02 00 00 07 5f 69 64 00 56 ba 0c 35 | 2/h3-10,15H,1-2H3......._id.V..5 |
26960 | 2b 72 ed 35 6f 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 | +r.5o....warnings.......fingerpr |
26980 | 69 6e 74 73 00 61 00 00 00 04 4d 50 32 44 00 56 00 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 | ints.a....MP2D.V....0.....15;1-1 |
269a0 | 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; |
269c0 | 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- |
269e0 | 31 35 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 | 15;....dataset_ids......0.V..4+r |
26a00 | ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 | .5o....1.V..:+r.5o....2.V..;+r.5 |
26a20 | 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 | o....3.V..<+r.5o....4.V..<+r.5o. |
26a40 | 01 c7 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc | ...5.V..>+r.5o....6.V..?+r.5o... |
26a60 | 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 | .7.V..@+r.5o....8.V..A+r.5o....9 |
26a80 | 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 | .V..B+r.5o....10.V..C+r.5o.....f |
26aa0 | 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 | eatures./....56ba0c342b72ed356f0 |
26ac0 | 30 30 30 30 30 00 10 00 00 00 01 30 00 60 55 7a 3e 89 53 00 40 00 00 02 73 6d 69 6c 65 73 00 0f | 00000......0.`Uz>.S.@...smiles.. |
26ae0 | 00 00 00 43 6c 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 25 e9 | ...Clc1ccc(cc1)Cl..updated_at.%. |
26b00 | bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 95 b0 bf c6 52 01 00 00 10 64 65 66 61 75 | ..R....created_at.....R....defau |
26b20 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 03 00 00 00 02 69 6e 63 68 69 00 2a | lt_fingerprint_size......inchi.* |
26b40 | 00 00 00 49 6e 43 68 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 | ...InChI=1S/C6H4Cl2/c7-5-1-2-6(8 |
26b60 | 29 34 2d 33 2d 35 2f 68 31 2d 34 48 00 00 c2 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f | )4-3-5/h1-4H......._id.V..5+r.5o |
26b80 | 00 00 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 | ....warnings.......fingerprints. |
26ba0 | ae 01 00 00 04 4d 50 32 44 00 a3 01 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 | .....MP2D......0.....1;1-1-1;2-1 |
26bc0 | 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 | -1;2-1-8;..1.....1;1-2-1;1-1-8;2 |
26be0 | 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 32 2d 31 | -1-2;..2."...8;1-1-1;1-1-2;2-2-1 |
26c00 | 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 3b 31 2d | ;2-1-9;2-1-28;..3."...2;1-1-8;1- |
26c20 | 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 34 00 16 00 00 00 39 | 1-9;1-1-28;2-1-1;2-1-3;..4.....9 |
26c40 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 35 00 22 00 00 00 32 38 3b 31 | ;1-1-2;2-1-8;2-1-28;..5."...28;1 |
26c60 | 2d 31 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 36 | -1-2;1-1-3;2-2-3;2-1-8;2-1-9;..6 |
26c80 | 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 33 3b | .....3;1-2-3;1-1-28;2-1-2;2-2-3; |
26ca0 | 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 02 38 | ..7.....3;1-2-3;2-2-3;2-1-28;..8 |
26cc0 | 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 2d 32 | .....3;1-2-3;2-2-3;..9.....3;1-2 |
26ce0 | 2d 33 3b 32 2d 32 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 | -3;2-2-3;2-1-15;..10.....3;1-2-3 |
26d00 | 3b 31 2d 31 2d 31 35 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 | ;1-1-15;2-2-3;..11.....3;1-2-3;2 |
26d20 | 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 00 00 00 31 35 3b 31 | -2-3;2-1-15;2-1-28;..12.....15;1 |
26d40 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 | -1-3;2-2-3;....dataset_ids...... |
26d60 | 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 | 0.V..4+r.5o....1.V..:+r.5o....2. |
26d80 | 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba | V..;+r.5o....3.V..;+r.5o....4.V. |
26da0 | 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3e | .<+r.5o....5.V..=+r.5o....6.V..> |
26dc0 | 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 38 00 56 ba 0c 3f 2b 72 | +r.5o....7.V..?+r.5o....8.V..?+r |
26de0 | ed 35 6f 00 01 cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c 41 2b 72 ed | .5o....9.V..@+r.5o....10.V..A+r. |
26e00 | 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed | 5o....11.V..B+r.5o....12.V..C+r. |
26e20 | 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 | 5o.....features.:....56ba0c342b7 |
26e40 | 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 2f 9e 38 cc a4 b8 02 40 01 31 00 | 2ed356f000000......0./.8....@.1. |
26e60 | 2f 9e 38 cc a4 b8 12 40 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 43 43 28 4f 43 28 3d 4f 29 4e | /.8....@...smiles.....CC(OC(=O)N |
26e80 | 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 b6 e9 bf c6 52 | c1cccc(c1)Cl)C..updated_at.....R |
26ea0 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 9b b0 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.....R....default_ |
26ec0 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0d 00 00 00 02 69 6e 63 68 69 00 4f 00 00 00 | fingerprint_size......inchi.O... |
26ee0 | 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 32 43 6c 4e 4f 32 2f 63 31 2d 37 28 32 29 31 34 2d 31 | InChI=1S/C10H12ClNO2/c1-7(2)14-1 |
26f00 | 30 28 31 33 29 31 32 2d 39 2d 35 2d 33 2d 34 2d 38 28 31 31 29 36 2d 39 2f 68 33 2d 37 48 2c 31 | 0(13)12-9-5-3-4-8(11)6-9/h3-7H,1 |
26f20 | 2d 32 48 33 2c 28 48 2c 31 32 2c 31 33 29 00 00 eb 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed | -2H3,(H,12,13)......._id.V..5+r. |
26f40 | 35 6f 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 72 69 6e 74 | 5o....warnings.......fingerprint |
26f60 | 73 00 02 02 00 00 04 4d 50 32 44 00 f7 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 32 38 3b | s......MP2D......0.....1;1-1-28; |
26f80 | 32 2d 31 2d 32 3b 00 02 31 00 1d 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 | 2-1-2;..1.....28;1-1-1;1-1-2;2-1 |
26fa0 | 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 32 00 1c 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 32 2d 32 38 | -9;2-1-28;..2.....2;1-1-9;1-2-28 |
26fc0 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 | ;2-2-1;2-1-3;..3.....9;1-1-2;2-2 |
26fe0 | 2d 32 38 3b 00 02 34 00 31 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 | -28;..4.1...28;1-1-1;1-1-2;1-1-3 |
27000 | 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 32 38 3b 00 02 35 00 | ;2-1-9;2-1-11;2-1-18;2-1-28;..5. |
27020 | 31 00 00 00 33 3b 31 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 | 1...3;1-1-11;1-1-18;1-1-28;2-1-1 |
27040 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 36 00 25 00 00 00 31 31 3b 31 | ;2-1-2;2-1-3;2-1-11;..6.%...11;1 |
27060 | 2d 31 2d 33 3b 31 2d 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 | -1-3;1-1-11;2-1-3;2-1-18;2-1-28; |
27080 | 00 02 37 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 | ..7.$...11;1-1-3;1-1-11;2-1-1;2- |
270a0 | 31 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 38 00 2a 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 | 1-3;2-1-18;..8.*...3;1-1-1;1-1-1 |
270c0 | 31 3b 31 2d 31 2d 31 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 39 00 | 1;1-1-18;2-3-1;2-1-3;2-1-11;..9. |
270e0 | 1e 00 00 00 31 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 | ....18;1-2-3;2-1-1;2-2-11;2-1-28 |
27100 | 3b 00 02 31 30 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 | ;..10.....1;1-3-1;1-1-3;2-1-11;2 |
27120 | 2d 31 2d 31 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 | -1-18;..11.....1;1-1-1;2-2-1;2-1 |
27140 | 2d 33 3b 00 02 31 32 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 | -3;..12.....1;1-1-28;2-1-2;2-1-3 |
27160 | 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 | ;....dataset_ids......0.V..4+r.5 |
27180 | 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 | o....1.V..:+r.5o....2.V..;+r.5o. |
271a0 | 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 | ...3.V..<+r.5o....4.V..=+r.5o... |
271c0 | 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 | .5.V..=+r.5o....6.V..?+r.5o....7 |
271e0 | 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 | .V..@+r.5o....8.V..A+r.5o....9.V |
27200 | ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 | ..B+r.5o....10.V..C+r.5o.....fea |
27220 | 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 | tures./....56ba0c342b72ed356f000 |
27240 | 30 30 30 00 10 00 00 00 01 30 00 10 07 62 21 da 6c c6 3f 00 00 02 73 6d 69 6c 65 73 00 1d 00 00 | 000......0...b!.l.?...smiles.... |
27260 | 00 43 4e 43 28 3d 4f 29 4e 28 63 31 6e 6e 63 28 73 31 29 43 28 43 29 28 43 29 43 29 43 00 09 75 | .CNC(=O)N(c1nnc(s1)C(C)(C)C)C..u |
27280 | 70 64 61 74 65 64 5f 61 74 00 6a e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a8 b0 | pdated_at.j...R....created_at... |
272a0 | bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | ..R....default_fingerprint_size. |
272c0 | 0d 00 00 00 02 69 6e 63 68 69 00 4b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 36 4e 34 4f | .....inchi.K...InChI=1S/C9H16N4O |
272e0 | 53 2f 63 31 2d 39 28 32 2c 33 29 36 2d 31 31 2d 31 32 2d 38 28 31 35 2d 36 29 31 33 28 35 29 37 | S/c1-9(2,3)6-11-12-8(15-6)13(5)7 |
27300 | 28 31 34 29 31 30 2d 34 2f 68 31 2d 35 48 33 2c 28 48 2c 31 30 2c 31 34 29 00 00 30 04 00 00 07 | (14)10-4/h1-5H3,(H,10,14)..0.... |
27320 | 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 b6 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..5+r.5o....warnings....... |
27340 | 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 0f 00 | fingerprints......MP2D......0... |
27360 | 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; |
27380 | 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- |
273a0 | 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 32 2d 31 3b 00 02 | 8;..3.....1;1-1-1;1-1-8;2-2-1;.. |
273c0 | 34 00 0f 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 | 4.....8;1-2-1;2-2-1;..5.....1;1- |
273e0 | 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 36 00 15 00 00 00 38 3b | 1-1;1-1-8;2-1-1;2-1-8;..6.....8; |
27400 | 31 2d 32 2d 31 3b 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 | 1-2-1;2-1-1;2-1-3;..7.....1;1-1- |
27420 | 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 00 21 00 00 00 33 3b 31 2d | 3;1-1-8;2-1-1;2-2-3;..8.!...3;1- |
27440 | 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 39 00 | 1-1;1-2-3;2-1-1;2-2-3;2-1-8;..9. |
27460 | 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;.. |
27480 | 31 30 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 | 10.!...3;1-2-3;1-1-8;2-1-1;2-2-3 |
274a0 | 3b 32 2d 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 | ;2-1-8;..11.....8;1-1-1;1-1-3;2- |
274c0 | 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 32 00 0f 00 00 00 31 3b 31 2d 32 2d 38 3b 32 2d 32 2d 33 | 2-3;2-1-8;..12.....1;1-2-8;2-2-3 |
274e0 | 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 32 2d 31 3b 32 2d | ;..13.....3;1-1-1;1-2-3;2-2-1;2- |
27500 | 32 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 31 2d 31 | 2-3;..14.....1;1-1-1;1-1-3;2-1-1 |
27520 | 3b 32 2d 32 2d 33 3b 00 02 31 35 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 00 | ;2-2-3;..15.....1;1-2-1;2-1-3;.. |
27540 | 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 | ..dataset_ids......0.V..4+r.5o.. |
27560 | 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 | ..1.V..:+r.5o....2.V..:+r.5o.... |
27580 | 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 | 3.V..;+r.5o....4.V..<+r.5o....5. |
275a0 | 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba | V..=+r.5o....6.V..>+r.5o....7.V. |
275c0 | 0c 3f 2b 72 ed 35 6f 00 01 cc 07 38 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 39 00 56 ba 0c 40 | .?+r.5o....8.V..@+r.5o....9.V..@ |
275e0 | 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 | +r.5o....10.V..A+r.5o....11.V..B |
27600 | 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 | +r.5o....12.V..C+r.5o.....featur |
27620 | 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 | es.:....56ba0c342b72ed356f000000 |
27640 | 00 1b 00 00 00 01 30 00 6f 60 9e 2c 52 a3 e7 3f 01 31 00 26 4d 18 8a 0e e9 d2 3f 00 00 02 73 6d | ......0.o`.,R..?.1.&M.....?...sm |
27660 | 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 32 4f 43 4f 63 32 63 | iles.....CCCCOCCOCCOCc1cc2OCOc2c |
27680 | 63 31 43 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 db e9 bf c6 52 01 00 00 09 63 72 65 61 74 | c1CCC..updated_at.....R....creat |
276a0 | 65 64 5f 61 74 00 ae b0 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at.....R....default_fingerpri |
276c0 | 6e 74 5f 73 69 7a 65 00 10 00 00 00 02 69 6e 63 68 69 00 73 00 00 00 49 6e 43 68 49 3d 31 53 2f | nt_size......inchi.s...InChI=1S/ |
276e0 | 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 31 | C19H30O5/c1-3-5-7-20-8-9-21-10-1 |
27700 | 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 29 | 1-22-14-17-13-19-18(23-15-24-19) |
27720 | 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 31 | 12-16(17)6-4-2/h12-13H,3-11,14-1 |
27740 | 35 48 32 2c 31 2d 32 48 33 00 00 7c 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 b7 | 5H2,1-2H3..|...._id.V..5+r.5o... |
27760 | 04 77 61 72 6e 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 01 00 | .warnings.......fingerprints.... |
27780 | 00 04 4d 50 32 44 00 8b 01 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 |
277a0 | 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 32 | ;2-1-32;..1.....2;1-1-1;1-2-32;2 |
277c0 | 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | -1-1;2-1-8;..2."...1;1-1-1;1-1-2 |
277e0 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 32 2d 32 2d 33 32 3b 00 02 33 00 21 00 00 00 38 3b 31 2d | ;1-1-8;2-1-3;2-2-32;..3.!...8;1- |
27800 | 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 02 34 00 | 1-1;1-1-3;2-1-1;2-1-2;2-2-3;..4. |
27820 | 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 3b 32 2d | "...3;1-2-3;1-1-8;2-1-1;2-2-3;2- |
27840 | 31 2d 31 35 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 | 1-15;..5.....3;1-2-3;2-2-3;2-1-8 |
27860 | 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 35 3b 00 02 | ;..6.....3;1-2-3;2-2-3;2-1-15;.. |
27880 | 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 38 00 16 | 7.....3;1-2-3;1-1-15;2-2-3;..8.. |
278a0 | 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 39 00 1c 00 00 00 | ...3;1-2-3;2-2-3;2-2-15;..9..... |
278c0 | 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 30 00 | 3;1-2-3;1-1-15;2-2-3;2-1-8;..10. |
278e0 | 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 15 00 00 00 31 3b 31 2d | ....15;1-1-3;2-2-3;..11.....1;1- |
27900 | 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 | 1-1;2-1-2;2-1-8;....dataset_ids. |
27920 | ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 | .....0.V..4+r.5o....1.V..:+r.5o. |
27940 | 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 | ...2.V..;+r.5o....3.V..<+r.5o... |
27960 | 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 | .4.V..=+r.5o....5.V..>+r.5o....6 |
27980 | 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 | .V..?+r.5o....7.V..@+r.5o....8.V |
279a0 | ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 30 00 56 ba | ..A+r.5o....9.V..B+r.5o....10.V. |
279c0 | 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 | .C+r.5o.....features./....56ba0c |
279e0 | 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 d2 e4 4d 5d 69 9a | 342b72ed356f000000......0...M]i. |
27a00 | a3 3f 00 00 02 73 6d 69 6c 65 73 00 1a 00 00 00 4f 43 28 3d 4f 29 43 28 4f 63 31 63 63 63 28 63 | .?...smiles.....OC(=O)C(Oc1ccc(c |
27a20 | 63 31 43 6c 29 43 6c 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 4d ea bf c6 52 01 00 00 09 63 | c1Cl)Cl)C..updated_at.M...R....c |
27a40 | 72 65 61 74 65 64 5f 61 74 00 b3 b0 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.....R....default_finge |
27a60 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 0c 00 00 00 02 69 6e 63 68 69 00 4b 00 00 00 49 6e 43 68 49 | rprint_size......inchi.K...InChI |
27a80 | 3d 31 53 2f 43 39 48 38 43 6c 32 4f 33 2f 63 31 2d 35 28 39 28 31 32 29 31 33 29 31 34 2d 38 2d | =1S/C9H8Cl2O3/c1-5(9(12)13)14-8- |
27aa0 | 33 2d 32 2d 36 28 31 30 29 34 2d 37 28 38 29 31 31 2f 68 32 2d 35 48 2c 31 48 33 2c 28 48 2c 31 | 3-2-6(10)4-7(8)11/h2-5H,1H3,(H,1 |
27ac0 | 32 2c 31 33 29 00 00 a2 05 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 b8 04 77 61 72 | 2,13)......._id.V..5+r.5o....war |
27ae0 | 6e 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 03 00 00 04 4d 50 | nings.......fingerprints......MP |
27b00 | 32 44 00 09 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 | 2D......0.....7;1-1-4;2-1-1;..1. |
27b20 | 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 00 02 | ....4;1-1-1;1-1-7;2-1-3;2-1-8;.. |
27b40 | 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 32 3b | 2.'...1;1-1-3;1-1-4;1-1-8;2-1-2; |
27b60 | 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 32 2d | 2-2-3;2-1-7;..3.!...3;1-1-1;1-2- |
27b80 | 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 31 2d | 3;2-2-3;2-1-4;2-1-8;..4.....3;1- |
27ba0 | 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 3b 31 2d 32 2d 33 3b | 2-3;2-1-1;2-2-3;..5.....3;1-2-3; |
27bc0 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | 2-2-3;2-1-16;..6.....3;1-2-3;1-1 |
27be0 | 2d 31 36 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 32 2d 33 3b | -16;2-2-3;2-1-8;..7.....3;1-2-3; |
27c00 | 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 38 00 1b 00 00 00 33 3b 31 2d 32 | 1-1-8;2-3-3;2-1-16;..8.....3;1-2 |
27c20 | 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 00 38 3b 31 | -3;2-1-1;2-2-3;2-1-8;..9.....8;1 |
27c40 | 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 31 2d 31 2d | -2-3;2-4-3;..10.....3;1-2-3;1-1- |
27c60 | 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 3b 32 | 8;2-3-3;..11.....3;1-2-3;2-2-3;2 |
27c80 | 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 00 02 31 33 | -1-8;..12.....3;1-2-3;2-2-3;..13 |
27ca0 | 00 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 27 00 00 00 38 3b 31 | .....16;1-1-3;2-2-3;..14.'...8;1 |
27cc0 | 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 |
27ce0 | 2d 39 3b 00 02 31 35 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;..15.....2;1-1-1;1-1-8;1-1-9; |
27d00 | 32 2d 33 2d 31 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 | 2-3-1;..16.....9;1-1-2;2-1-1;2-1 |
27d20 | 2d 38 3b 00 02 31 37 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;..17.'...1;1-2-1;1-1-2;2-4-1; |
27d40 | 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 38 00 1b 00 00 00 31 3b 31 2d 32 | 2-1-2;2-1-8;2-1-9;..18.....1;1-2 |
27d60 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 39 00 15 00 00 00 31 3b | -1;1-1-2;2-4-1;2-2-2;..19.....1; |
27d80 | 31 2d 34 2d 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 32 30 00 0f 00 00 00 31 3b 31 2d 31 | 1-4-1;2-2-1;2-2-2;..20.....1;1-1 |
27da0 | 2d 31 3b 32 2d 33 2d 31 3b 00 02 32 31 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | -1;2-3-1;..21.....2;1-1-1;1-1-2; |
27dc0 | 32 2d 32 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 32 32 00 16 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d | 2-2-1;2-2-15;..22.....2;1-1-2;1- |
27de0 | 32 2d 31 35 3b 32 2d 31 2d 31 3b 00 02 32 33 00 17 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 | 2-15;2-1-1;..23.....15;1-1-2;2-1 |
27e00 | 2d 32 3b 32 2d 31 2d 31 35 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 db 00 00 00 07 30 | -2;2-1-15;....dataset_ids......0 |
27e20 | 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 | .V..4+r.5o....1.V..9+r.5o....2.V |
27e40 | ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 33 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 34 00 56 ba 0c | ..:+r.5o....3.V..:+r.5o....4.V.. |
27e60 | 3b 2b 72 ed 35 6f 00 01 c4 07 35 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 36 00 56 ba 0c 3d 2b | ;+r.5o....5.V..<+r.5o....6.V..=+ |
27e80 | 72 ed 35 6f 00 01 c8 07 37 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 38 00 56 ba 0c 3f 2b 72 ed | r.5o....7.V..>+r.5o....8.V..?+r. |
27ea0 | 35 6f 00 01 cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c 41 2b 72 ed 35 | 5o....9.V..@+r.5o....10.V..A+r.5 |
27ec0 | 6f 00 01 cf 07 31 31 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 32 00 56 ba 0c 42 2b 72 ed 35 | o....11.V..A+r.5o....12.V..B+r.5 |
27ee0 | 6f 00 01 d2 07 31 33 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 50 | o....13.V..C+r.5o.....features.P |
27f00 | 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 31 00 00 | ....56ba0c342b72ed356f000000.1.. |
27f20 | 00 01 30 00 3f e9 70 e4 3a 79 9d 3f 01 31 00 bf 58 dd 55 23 af 91 3f 01 32 00 cc 5a 95 bc 6b 4b | ..0.?.p.:y.?.1..X.U#..?.2..Z..kK |
27f40 | 8c 3f 01 33 00 cc 5a 95 bc 6b 4b 9c 3f 00 00 02 73 6d 69 6c 65 73 00 37 00 00 00 4e 23 43 43 28 | .?.3..Z..kK.?...smiles.7...N#CC( |
27f60 | 63 31 63 63 63 28 63 28 63 31 29 4f 63 31 63 63 63 63 63 31 29 46 29 4f 43 28 3d 4f 29 43 31 43 | c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C |
27f80 | 28 43 31 28 43 29 43 29 43 3d 43 28 43 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 37 ea | (C1(C)C)C=C(Cl)Cl..updated_at.7. |
27fa0 | bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ba b0 bf c6 52 01 00 00 10 64 65 66 61 75 | ..R....created_at.....R....defau |
27fc0 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 18 00 00 00 02 69 6e 63 68 69 00 85 | lt_fingerprint_size......inchi.. |
27fe0 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 32 48 31 38 43 6c 32 46 4e 4f 33 2f 63 31 2d 32 32 28 | ...InChI=1S/C22H18Cl2FNO3/c1-22( |
28000 | 32 29 31 35 28 31 31 2d 31 39 28 32 33 29 32 34 29 32 30 28 32 32 29 32 31 28 32 37 29 32 39 2d | 2)15(11-19(23)24)20(22)21(27)29- |
28020 | 31 38 28 31 32 2d 32 36 29 31 33 2d 38 2d 39 2d 31 36 28 32 35 29 31 37 28 31 30 2d 31 33 29 32 | 18(12-26)13-8-9-16(25)17(10-13)2 |
28040 | 38 2d 31 34 2d 36 2d 34 2d 33 2d 35 2d 37 2d 31 34 2f 68 33 2d 31 31 2c 31 35 2c 31 38 2c 32 30 | 8-14-6-4-3-5-7-14/h3-11,15,18,20 |
28060 | 48 2c 31 2d 32 48 33 00 00 c8 02 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 b9 04 77 | H,1-2H3......._id.V..5+r.5o....w |
28080 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 f3 00 00 00 04 | arnings.......fingerprints...... |
280a0 | 4d 50 32 44 00 e8 00 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 | MP2D......0.....7;1-1-4;2-1-3;.. |
280c0 | 31 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 00 02 32 00 22 00 | 1.....4;1-1-3;1-1-7;2-2-3;..2.". |
280e0 | 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 2d | ..3;1-2-3;1-1-4;2-2-3;2-1-7;2-2- |
28100 | 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 3b | 15;..3.....3;1-2-3;1-1-15;2-2-3; |
28120 | 32 2d 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 | 2-2-4;..4.....15;1-1-3;2-2-3;..5 |
28140 | 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 34 3b | .#...3;1-2-3;1-1-15;2-2-3;2-1-4; |
28160 | 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- |
28180 | 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 | 2-3;2-2-15;....dataset_ids...... |
281a0 | 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 | 0.V..4+r.5o....1.V..9+r.5o....2. |
281c0 | 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba | V..;+r.5o....3.V..<+r.5o....4.V. |
281e0 | 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f | .=+r.5o....5.V..>+r.5o....6.V..? |
28200 | 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 | +r.5o....7.V..@+r.5o....8.V..A+r |
28220 | ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed | .5o....9.V..B+r.5o....10.V..C+r. |
28240 | 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 | 5o.....features./....56ba0c342b7 |
28260 | 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 64 cf 9c 39 ab ce 8e 3f 00 00 02 | 2ed356f000000......0.d..9...?... |
28280 | 73 6d 69 6c 65 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 | smiles.....N#Cc1c(Cl)c(C#N)c(c(c |
282a0 | 31 43 6c 29 43 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 5e e8 bf c6 52 01 00 00 09 63 | 1Cl)Cl)Cl..updated_at.^...R....c |
282c0 | 72 65 61 74 65 64 5f 61 74 00 c0 b0 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.....R....default_finge |
282e0 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 07 00 00 00 02 69 6e 63 68 69 00 35 00 00 00 49 6e 43 68 49 | rprint_size......inchi.5...InChI |
28300 | 3d 31 53 2f 43 38 43 6c 34 4e 32 2f 63 39 2d 35 2d 33 28 31 2d 31 33 29 36 28 31 30 29 38 28 31 | =1S/C8Cl4N2/c9-5-3(1-13)6(10)8(1 |
28320 | 32 29 37 28 31 31 29 34 28 35 29 32 2d 31 34 00 00 9b 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 | 2)7(11)4(5)2-14......._id.V..5+r |
28340 | ed 35 6f 00 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 | .5o....warnings.......fingerprin |
28360 | 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 3b | ts......MP2D......0.....1;1-1-1; |
28380 | 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 2d | 2-1-8;..1.....1;1-1-1;1-1-8;2-1- |
283a0 | 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 31 3b 32 2d | 2;..2.....8;1-1-1;1-1-2;2-2-1;2- |
283c0 | 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 31 2d 31 2d 39 3b | 1-9;..3.'...2;1-1-1;1-1-8;1-1-9; |
283e0 | 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 39 3b 31 2d 31 2d | 2-1-1;2-2-3;2-1-8;..4.....9;1-1- |
28400 | 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 32 3b 31 2d | 2;2-1-1;2-1-8;..5.'...1;1-1-2;1- |
28420 | 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 39 3b 00 02 36 00 | 2-3;1-1-8;2-4-3;2-1-8;2-1-9;..6. |
28440 | 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 32 2d | !...3;1-1-1;1-2-3;2-1-2;2-3-3;2- |
28460 | 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 32 2d 32 2d 33 3b | 1-8;..7.....3;1-2-3;2-1-1;2-2-3; |
28480 | 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 35 3b 00 02 39 | ..8.....3;1-2-3;2-2-3;2-1-15;..9 |
284a0 | 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 30 00 10 | .....3;1-2-3;1-1-15;2-2-3;..10.. |
284c0 | 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 15 00 00 00 38 3b 31 2d 31 | ...15;1-1-3;2-2-3;..11.....8;1-1 |
284e0 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab | -1;2-1-2;2-2-3;....dataset_ids.. |
28500 | 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 | ....0.V..4+r.5o....1.V..:+r.5o.. |
28520 | c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 | ..2.V..;+r.5o....3.V..<+r.5o.... |
28540 | 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 | 4.V..=+r.5o....5.V..>+r.5o....6. |
28560 | 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba | V..?+r.5o....7.V..@+r.5o....8.V. |
28580 | 0c 41 2b 72 ed 35 6f 00 01 cf 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c | .A+r.5o....9.V..B+r.5o....10.V.. |
285a0 | 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 | C+r.5o.....features./....56ba0c3 |
285c0 | 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 6d 78 da 36 6f f8 ac | 42b72ed356f000000......0.mx.6o.. |
285e0 | 3f 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 63 63 63 28 63 | ?...smiles.'...CCOC(=O)C(c1ccc(c |
28600 | 63 31 29 43 6c 29 28 63 31 63 63 63 28 63 63 31 29 43 6c 29 4f 00 09 75 70 64 61 74 65 64 5f 61 | c1)Cl)(c1ccc(cc1)Cl)O..updated_a |
28620 | 74 00 17 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c6 b0 bf c6 52 01 00 00 10 64 | t.....R....created_at.....R....d |
28640 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0c 00 00 00 02 69 6e 63 | efault_fingerprint_size......inc |
28660 | 68 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 | hi.d...InChI=1S/C16H14Cl2O3/c1-2 |
28680 | 2d 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 | -21-15(19)16(20,11-3-7-13(17)8-4 |
286a0 | 2d 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 | -11)12-5-9-14(18)10-6-12/h3-10,2 |
286c0 | 30 48 2c 32 48 32 2c 31 48 33 00 00 2a 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 | 0H,2H2,1H3..*...._id.V..5+r.5o.. |
286e0 | bb 04 77 61 72 6e 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 01 | ..warnings.......fingerprints.F. |
28700 | 00 00 04 4d 50 32 44 00 3b 01 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d | ...MP2D.;....0.....1;1-1-28;2-1- |
28720 | 31 3b 32 2d 31 2d 32 3b 00 02 31 00 1d 00 00 00 32 38 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 | 1;2-1-2;..1.....28;1-2-1;1-1-2;2 |
28740 | 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 32 00 1c 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 32 2d | -1-9;2-1-28;..2.....2;1-1-9;1-2- |
28760 | 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b 32 | 28;2-2-1;2-1-3;..3.....9;1-1-2;2 |
28780 | 2d 32 2d 32 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 32 | -2-28;..4.#...28;1-1-2;1-1-3;2-2 |
287a0 | 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-1-9;2-1-28;..5.....3;1-2-3; |
287c0 | 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 2d 32 | 1-1-28;2-1-2;2-2-3;..6.....3;1-2 |
287e0 | 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 33 3b | -3;2-2-3;2-1-28;..7.....3;1-2-3; |
28800 | 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 31 2d 31 | 2-2-3;2-1-15;..8.....3;1-2-3;1-1 |
28820 | 2d 31 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 | -15;2-2-3;..9.....15;1-1-3;2-2-3 |
28840 | 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 | ;....dataset_ids......0.V..4+r.5 |
28860 | 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 | o....1.V..:+r.5o....2.V..;+r.5o. |
28880 | 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 | ...3.V..<+r.5o....4.V..<+r.5o... |
288a0 | 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 | .5.V..>+r.5o....6.V..?+r.5o....7 |
288c0 | 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 | .V..@+r.5o....8.V..A+r.5o....9.V |
288e0 | ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 | ..B+r.5o....10.V..C+r.5o.....fea |
28900 | 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 | tures./....56ba0c342b72ed356f000 |
28920 | 30 30 30 00 10 00 00 00 01 30 00 09 8b a2 34 cf 22 e4 3f 00 00 02 73 6d 69 6c 65 73 00 18 00 00 | 000......0....4.".?...smiles.... |
28940 | 00 43 4e 28 43 28 3d 4f 29 4e 63 31 63 63 63 28 63 63 31 29 43 6c 29 43 00 09 75 70 64 61 74 65 | .CN(C(=O)Nc1ccc(cc1)Cl)C..update |
28960 | 64 5f 61 74 00 4b e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 cc b0 bf c6 52 01 00 | d_at.K...R....created_at.....R.. |
28980 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0a 00 00 00 02 | ..default_fingerprint_size...... |
289a0 | 69 6e 63 68 69 00 4b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 31 43 6c 4e 32 4f 2f 63 31 | inchi.K...InChI=1S/C9H11ClN2O/c1 |
289c0 | 2d 31 32 28 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 | -12(2)9(13)11-8-5-3-7(10)4-6-8/h |
289e0 | 33 2d 36 48 2c 31 2d 32 48 33 2c 28 48 2c 31 31 2c 31 33 29 00 00 47 03 00 00 07 5f 69 64 00 56 | 3-6H,1-2H3,(H,11,13)..G...._id.V |
28a00 | ba 0c 35 2b 72 ed 35 6f 00 00 bc 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..5+r.5o....warnings.......finge |
28a20 | 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 18 00 00 00 31 35 3b | rprints.Q....MP2D.F....0.....15; |
28a40 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 32 2d 32 2d 31 35 3b 00 02 31 00 18 00 00 00 31 3b 31 2d | 1-1-1;2-1-10;2-2-15;..1.....1;1- |
28a60 | 31 2d 31 30 3b 31 2d 33 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 02 32 00 1e 00 00 00 31 30 3b 31 2d | 1-10;1-3-15;2-1-28;..2.....10;1- |
28a80 | 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 32 3b 32 2d 33 2d 31 35 3b 00 02 33 00 1d 00 00 00 | 1-1;1-1-28;2-2-2;2-3-15;..3..... |
28aa0 | 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 3b 00 02 34 00 | 28;1-2-2;1-1-10;2-3-1;2-2-9;..4. |
28ac0 | 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 32 2d 31 3b 32 | )...2;1-1-1;1-1-9;1-1-28;2-2-1;2 |
28ae0 | 2d 31 2d 32 3b 32 2d 31 2d 31 30 3b 00 02 35 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d | -1-2;2-1-10;..5.....9;1-1-2;2-1- |
28b00 | 31 3b 32 2d 31 2d 32 38 3b 00 02 36 00 28 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 | 1;2-1-28;..6.(...1;1-2-1;1-1-2;2 |
28b20 | 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 37 00 1b 00 00 00 | -1-1;2-2-2;2-1-9;2-1-28;..7..... |
28b40 | 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 38 00 15 00 | 1;1-1-1;1-1-2;2-1-1;2-2-2;..8... |
28b60 | 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 00 00 00 04 64 61 74 61 73 65 | ..2;1-1-1;1-1-2;2-2-1;....datase |
28b80 | 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a | t_ids......0.V..4+r.5o....1.V..: |
28ba0 | 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3c 2b 72 | +r.5o....2.V..:+r.5o....3.V..<+r |
28bc0 | ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 | .5o....4.V..=+r.5o....5.V..>+r.5 |
28be0 | 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 | o....6.V..?+r.5o....7.V..@+r.5o. |
28c00 | 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 | ...8.V..A+r.5o....9.V..B+r.5o... |
28c20 | 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 | .10.V..C+r.5o.....features./.... |
28c40 | 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 | 56ba0c342b72ed356f000000......0. |
28c60 | a4 21 9f 49 a0 4a d5 3f 00 00 02 73 6d 69 6c 65 73 00 23 00 00 00 43 6c 43 28 53 4e 31 43 28 3d | .!.I.J.?...smiles.#...ClC(SN1C(= |
28c80 | 4f 29 43 32 43 28 43 31 3d 4f 29 43 43 3d 43 43 32 29 28 43 6c 29 43 6c 00 09 75 70 64 61 74 65 | O)C2C(C1=O)CC=CC2)(Cl)Cl..update |
28ca0 | 64 5f 61 74 00 bc e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d2 b0 bf c6 52 01 00 | d_at.....R....created_at.....R.. |
28cc0 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 09 00 00 00 02 | ..default_fingerprint_size...... |
28ce0 | 69 6e 63 68 69 00 52 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 38 43 6c 33 4e 4f 32 53 2f 63 | inchi.R...InChI=1S/C9H8Cl3NO2S/c |
28d00 | 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- |
28d20 | 36 28 35 29 38 28 31 33 29 31 35 2f 68 31 2d 32 2c 35 2d 36 48 2c 33 2d 34 48 32 00 00 55 04 00 | 6(5)8(13)15/h1-2,5-6H,3-4H2..U.. |
28d40 | 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 bd 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V..5+r.5o....warnings..... |
28d60 | 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 53 02 00 00 04 4d 50 32 44 00 48 02 00 00 02 30 00 | ..fingerprints.S....MP2D.H....0. |
28d80 | 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 2d | ....1;1-1-8;2-1-1;..1.....8;1-2- |
28da0 | 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 31 2d 38 3b 32 2d | 1;2-1-1;..2.....1;1-1-1;1-1-8;2- |
28dc0 | 32 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 33 00 22 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 | 2-1;2-1-28;..3."...1;1-2-1;1-1-2 |
28de0 | 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 28 00 00 00 32 38 3b 31 | 8;2-1-2;2-1-3;2-1-8;..4.(...28;1 |
28e00 | 2d 31 2d 31 3b 31 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 | -1-1;1-1-2;1-1-3;2-3-1;2-2-3;2-1 |
28e20 | 2d 39 3b 00 02 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 | -9;..5."...3;1-2-3;1-1-28;2-3-1; |
28e40 | 32 2d 31 2d 32 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 | 2-1-2;2-2-3;..6.....3;1-1-1;1-2- |
28e60 | 33 3b 32 2d 32 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 | 3;2-2-3;2-1-28;..7.....1;1-1-3;2 |
28e80 | 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 31 3b 32 2d 32 2d 33 | -2-3;..8.....3;1-2-3;2-1-1;2-2-3 |
28ea0 | 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 22 00 00 00 | ;..9.....3;1-2-3;2-2-3;..10."... |
28ec0 | 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 38 | 3;1-1-1;1-2-3;2-1-1;2-2-3;2-1-28 |
28ee0 | 3b 00 02 31 31 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 | ;..11.....1;1-1-1;1-1-3;2-2-3;.. |
28f00 | 31 32 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 33 00 29 00 00 00 32 3b | 12.....1;1-1-1;2-1-3;..13.)...2; |
28f20 | 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 3b 32 | 1-1-1;1-1-9;1-1-28;2-1-1;2-1-3;2 |
28f40 | 2d 31 2d 31 35 3b 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 | -1-15;..14.....9;1-1-2;2-1-1;2-1 |
28f60 | 2d 32 38 3b 00 02 31 35 00 1d 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d | -28;..15.....1;1-1-2;1-1-15;2-1- |
28f80 | 39 3b 32 2d 31 2d 32 38 3b 00 02 31 36 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 | 9;2-1-28;..16.....15;1-1-1;2-1-2 |
28fa0 | 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 38 3b 00 | ;..17.....1;1-1-1;2-1-1;2-1-28;. |
28fc0 | 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 | ...dataset_ids......0.V..4+r.5o. |
28fe0 | 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 | ...1.V..:+r.5o....2.V..;+r.5o... |
29000 | 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 | .3.V..<+r.5o....4.V..<+r.5o....5 |
29020 | 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 | .V..>+r.5o....6.V..?+r.5o....7.V |
29040 | ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c | ..@+r.5o....8.V..A+r.5o....9.V.. |
29060 | 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 | B+r.5o....10.V..C+r.5o.....featu |
29080 | 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 | res./....56ba0c342b72ed356f00000 |
290a0 | 30 00 10 00 00 00 01 30 00 96 cf 5c f9 e7 e9 e0 3f 00 00 02 73 6d 69 6c 65 73 00 20 00 00 00 43 | 0......0...\....?...smiles.....C |
290c0 | 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 00 09 | OCC(N(c1c(C)cccc1CC)C(=O)CCl)C.. |
290e0 | 75 70 64 61 74 65 64 5f 61 74 00 15 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d8 | updated_at.....R....created_at.. |
29100 | b0 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | ...R....default_fingerprint_size |
29120 | 00 12 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 32 43 | ......inchi.a...InChI=1S/C15H22C |
29140 | 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 31 37 | lNO2/c1-5-13-8-6-7-11(2)15(13)17 |
29160 | 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 31 32 | (14(18)9-16)12(3)10-19-4/h6-8,12 |
29180 | 48 2c 35 2c 39 2d 31 30 48 32 2c 31 2d 34 48 33 00 00 47 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b | H,5,9-10H2,1-4H3..G...._id.V..5+ |
291a0 | 72 ed 35 6f 00 00 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 | r.5o....warnings.......fingerpri |
291c0 | 6e 74 73 00 67 01 00 00 04 4d 50 32 44 00 5c 01 00 00 02 30 00 17 00 00 00 33 32 3b 31 2d 31 2d | nts.g....MP2D.\....0.....32;1-1- |
291e0 | 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 3b 31 | 2;2-1-1;2-1-32;..1.....2;1-1-1;1 |
29200 | 2d 32 2d 33 32 3b 32 2d 31 2d 38 3b 00 02 32 00 1c 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d | -2-32;2-1-8;..2.....1;1-1-2;1-1- |
29220 | 38 3b 32 2d 31 2d 33 3b 32 2d 32 2d 33 32 3b 00 02 33 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 | 8;2-1-3;2-2-32;..3.....8;1-1-1;1 |
29240 | 2d 31 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 34 00 22 00 00 00 33 3b 31 2d 32 2d 33 | -1-3;2-1-2;2-2-3;..4."...3;1-2-3 |
29260 | 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 35 00 15 00 | ;1-1-8;2-1-1;2-2-3;2-1-15;..5... |
29280 | 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 16 00 00 00 33 3b | ..3;1-2-3;2-2-3;2-1-8;..6.....3; |
292a0 | 31 2d 32 2d 33 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 | 1-2-3;2-2-3;2-1-15;..7.....3;1-2 |
292c0 | 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;1-1-15;2-2-3;..8.....3;1-2-3; |
292e0 | 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 31 | 2-2-3;2-2-15;..9.....3;1-2-3;1-1 |
29300 | 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 30 00 10 00 00 00 31 35 3b 31 2d 31 2d | -15;2-2-3;2-1-8;..10.....15;1-1- |
29320 | 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 | 3;2-2-3;....dataset_ids......0.V |
29340 | ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c | ..4+r.5o....1.V..:+r.5o....2.V.. |
29360 | 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b | ;+r.5o....3.V..<+r.5o....4.V..=+ |
29380 | 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed | r.5o....5.V..>+r.5o....6.V..?+r. |
293a0 | 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 00 56 ba 0c 41 2b 72 ed 35 6f | 5o....7.V..@+r.5o....8.V..A+r.5o |
293c0 | 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 | ....9.V..B+r.5o....10.V..C+r.5o. |
293e0 | 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 | ....features./....56ba0c342b72ed |
29400 | 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 4f 03 8a ea da 29 97 3f 00 00 02 73 6d 69 | 356f000000......0.O....).?...smi |
29420 | 6c 65 73 00 17 00 00 00 4f 43 28 3d 4f 29 43 4f 63 31 63 63 63 28 63 63 31 43 6c 29 43 6c 00 09 | les.....OC(=O)COc1ccc(cc1Cl)Cl.. |
29440 | 75 70 64 61 74 65 64 5f 61 74 00 e9 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 de | updated_at.....R....created_at.. |
29460 | b0 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | ...R....default_fingerprint_size |
29480 | 00 0b 00 00 00 02 69 6e 63 68 69 00 48 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 36 43 6c 32 | ......inchi.H...InChI=1S/C8H6Cl2 |
294a0 | 4f 33 2f 63 39 2d 35 2d 31 2d 32 2d 37 28 36 28 31 30 29 33 2d 35 29 31 33 2d 34 2d 38 28 31 31 | O3/c9-5-1-2-7(6(10)3-5)13-4-8(11 |
294c0 | 29 31 32 2f 68 31 2d 33 48 2c 34 48 32 2c 28 48 2c 31 31 2c 31 32 29 00 00 b3 03 00 00 07 5f 69 | )12/h1-3H,4H2,(H,11,12)......._i |
294e0 | 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 bf 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..5+r.5o....warnings.......fi |
29500 | 6e 67 65 72 70 72 69 6e 74 73 00 b9 01 00 00 04 4d 50 32 44 00 ae 01 00 00 02 30 00 10 00 00 00 | ngerprints......MP2D......0..... |
29520 | 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 2d 31 2d 31 3b 31 | 1;1-1-1;2-1-19;..1.....1;1-1-1;1 |
29540 | 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 2d 31 3b 31 2d 31 | -1-19;2-1-3;..2.....19;1-1-1;1-1 |
29560 | 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 31 2d 32 2d 31 31 | -3;2-1-1;2-2-11;..3.....3;1-2-11 |
29580 | 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 00 00 31 31 3b 31 | ;1-1-19;2-1-1;2-2-3;..4.....11;1 |
295a0 | 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 32 2d 32 2d 31 39 3b 00 02 35 00 1f 00 00 00 31 31 3b 31 2d | -2-3;2-2-11;2-2-19;..5.....11;1- |
295c0 | 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 02 36 00 17 00 00 | 2-3;2-2-11;2-1-15;2-1-19;..6.... |
295e0 | 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 37 00 11 00 00 00 31 | .3;1-2-11;1-1-15;2-2-3;..7.....1 |
29600 | 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 38 00 23 00 00 00 31 39 3b 31 2d 31 2d 31 3b | 5;1-1-3;2-2-11;..8.#...19;1-1-1; |
29620 | 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 39 00 22 00 00 | 1-1-3;2-2-1;2-1-4;2-2-11;..9.".. |
29640 | 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 31 2d | .1;1-2-1;1-1-4;1-1-19;2-1-3;2-1- |
29660 | 37 3b 00 02 31 30 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 32 | 7;..10.....4;1-1-1;1-1-7;2-2-1;2 |
29680 | 2d 31 2d 31 39 3b 00 02 31 31 00 0f 00 00 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 2d 31 3b 00 02 31 | -1-19;..11.....7;1-1-4;2-1-1;..1 |
296a0 | 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 2d 31 2d 31 39 | 2.....1;1-1-1;2-1-1;2-1-4;2-1-19 |
296c0 | 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 | ;....dataset_ids......0.V..4+r.5 |
296e0 | 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 | o....1.V..:+r.5o....2.V..;+r.5o. |
29700 | 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 | ...3.V..<+r.5o....4.V..=+r.5o... |
29720 | 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 37 | .5.V..>+r.5o....6.V..?+r.5o....7 |
29740 | 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 | .V..@+r.5o....8.V..A+r.5o....9.V |
29760 | ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 | ..B+r.5o....10.V..C+r.5o.....fea |
29780 | 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 | tures./....56ba0c342b72ed356f000 |
297a0 | 30 30 30 00 10 00 00 00 01 30 00 7e 9c 90 8f 9d 45 75 3f 00 00 02 73 6d 69 6c 65 73 00 1d 00 00 | 000......0.~....Eu?...smiles.... |
297c0 | 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 28 43 29 43 00 09 75 | .CCNc1nc(nc(n1)Cl)NC(C#N)(C)C..u |
297e0 | 70 64 61 74 65 64 5f 61 74 00 b4 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e4 b0 | pdated_at.....R....created_at... |
29800 | bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | ..R....default_fingerprint_size. |
29820 | 0d 00 00 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 33 43 6c 4e | .....inchi.\...InChI=1S/C9H13ClN |
29840 | 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 31 35 2d 37 29 31 36 | 6/c1-4-12-7-13-6(10)14-8(15-7)16 |
29860 | 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 32 2c 31 32 2c 31 33 | -9(2,3)5-11/h4H2,1-3H3,(H2,12,13 |
29880 | 2c 31 34 2c 31 35 2c 31 36 29 00 00 65 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 | ,14,15,16)..e...._id.V..5+r.5o.. |
298a0 | 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 7a 01 | ..warnings.......fingerprints.z. |
298c0 | 00 00 04 4d 50 32 44 00 6f 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 | ...MP2D.o....0.....1;1-1-8;2-1-1 |
298e0 | 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 32 2d 32 2d 38 3b 32 | 2;..1.....8;1-1-1;1-1-12;2-2-8;2 |
29900 | 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 31 2d 31 38 3b 32 2d | -1-18;..2.....12;1-3-8;1-1-18;2- |
29920 | 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 31 32 3b 32 2d 33 2d | 2-1;2-1-3;..3.....18;1-1-12;2-3- |
29940 | 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 32 2d 32 2d 33 3b 32 | 8;..4.#...8;1-1-3;1-1-12;2-2-3;2 |
29960 | 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 2d 33 3b 31 2d 31 2d | -2-8;2-1-18;..5.#...3;1-2-3;1-1- |
29980 | 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 1c 00 00 00 33 3b | 8;2-2-3;2-1-12;2-1-15;..6.....3; |
299a0 | 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 37 00 1d 00 00 | 1-2-3;2-2-3;2-1-8;2-1-15;..7.... |
299c0 | 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 38 | .3;1-2-3;1-1-15;2-2-3;2-1-15;..8 |
299e0 | 00 10 00 00 00 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 | .....15;1-1-3;2-2-3;..9.....3;1- |
29a00 | 32 2d 33 3b 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 | 2-3;2-2-3;2-2-15;..10.....3;1-2- |
29a20 | 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 00 00 04 64 61 74 61 73 65 74 | 3;1-1-15;2-2-3;2-1-8;....dataset |
29a40 | 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b | _ids......0.V..4+r.5o....1.V..9+ |
29a60 | 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed | r.5o....2.V..;+r.5o....3.V..<+r. |
29a80 | 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f | 5o....4.V..=+r.5o....5.V..>+r.5o |
29aa0 | 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 | ....6.V..?+r.5o....7.V..@+r.5o.. |
29ac0 | ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 | ..8.V..A+r.5o....9.V..B+r.5o.... |
29ae0 | 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 | 10.V..C+r.5o.....features./....5 |
29b00 | 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 86 | 6ba0c342b72ed356f000000......0.. |
29b20 | ed 37 c3 65 e7 c3 3f 00 00 02 73 6d 69 6c 65 73 00 1f 00 00 00 43 4f 50 28 3d 53 29 28 4f 63 31 | .7.e..?...smiles.....COP(=S)(Oc1 |
29b40 | 63 63 28 43 6c 29 63 28 63 63 31 43 6c 29 43 6c 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 | cc(Cl)c(cc1Cl)Cl)OC..updated_at. |
29b60 | 6a e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ed b0 bf c6 52 01 00 00 10 64 65 66 | j...R....created_at.....R....def |
29b80 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0b 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
29ba0 | 00 4b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 38 43 6c 33 4f 33 50 53 2f 63 31 2d 31 32 2d | .K...InChI=1S/C8H8Cl3O3PS/c1-12- |
29bc0 | 31 35 28 31 36 2c 31 33 2d 32 29 31 34 2d 38 2d 34 2d 36 28 31 30 29 35 28 39 29 33 2d 37 28 38 | 15(16,13-2)14-8-4-6(10)5(9)3-7(8 |
29be0 | 29 31 31 2f 68 33 2d 34 48 2c 31 2d 32 48 33 00 00 6e 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 | )11/h3-4H,1-2H3..n...._id.V..5+r |
29c00 | ed 35 6f 00 00 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 | .5o....warnings.......fingerprin |
29c20 | 74 73 00 69 01 00 00 04 4d 50 32 44 00 5e 01 00 00 02 30 00 16 00 00 00 31 35 3b 31 2d 31 2d 32 | ts.i....MP2D.^....0.....15;1-1-2 |
29c40 | 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 |
29c60 | 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 29 00 00 00 31 | -2;1-1-15;2-3-1;2-2-15;..2.)...1 |
29c80 | 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; |
29ca0 | 32 2d 33 2d 31 35 3b 00 02 33 00 23 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 32 2d 31 35 3b 32 2d | 2-3-15;..3.#...1;1-2-1;1-2-15;2- |
29cc0 | 32 2d 31 3b 32 2d 32 2d 32 3b 32 2d 32 2d 31 35 3b 00 02 34 00 16 00 00 00 31 35 3b 31 2d 31 2d | 2-1;2-2-2;2-2-15;..4.....15;1-1- |
29ce0 | 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 35 00 1c 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d | 1;2-2-1;2-1-2;..5.....1;1-3-1;2- |
29d00 | 34 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 36 00 1b 00 00 00 31 3b 31 2d 32 2d 31 | 4-1;2-2-2;2-1-15;..6.....1;1-2-1 |
29d20 | 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 37 00 15 00 00 00 31 3b 31 2d 32 | ;1-1-2;2-3-1;2-1-2;..7.....1;1-2 |
29d40 | 2d 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 38 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 | -1;2-2-1;2-2-2;..8.....2;1-1-1;1 |
29d60 | 2d 31 2d 32 3b 32 2d 33 2d 31 3b 00 02 39 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d | -1-2;2-3-1;..9.....15;1-1-1;2-2- |
29d80 | 31 3b 32 2d 31 2d 31 35 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 | 1;2-1-15;....dataset_ids......0. |
29da0 | 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba | V..4+r.5o....1.V..9+r.5o....2.V. |
29dc0 | 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d | .;+r.5o....3.V..<+r.5o....4.V..= |
29de0 | 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 | +r.5o....5.V..>+r.5o....6.V..?+r |
29e00 | ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 | .5o....7.V..@+r.5o....8.V..A+r.5 |
29e20 | 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f | o....9.V..B+r.5o....10.V..C+r.5o |
29e40 | 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 | .....features./....56ba0c342b72e |
29e60 | 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 30 6a aa 26 36 bc fc 3e 00 00 02 73 6d | d356f000000......0.0j.&6..>...sm |
29e80 | 69 6c 65 73 00 2d 00 00 00 43 6c 43 31 3d 43 28 43 6c 29 43 32 28 43 28 43 31 28 43 6c 29 43 31 | iles.-...ClC1=C(Cl)C2(C(C1(Cl)C1 |
29ea0 | 43 32 43 32 43 43 31 43 3d 43 32 29 28 43 6c 29 43 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 | C2C2CC1C=C2)(Cl)Cl)Cl..updated_a |
29ec0 | 74 00 53 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f3 b0 bf c6 52 01 00 00 10 64 | t.S...R....created_at.....R....d |
29ee0 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0a 00 00 00 02 69 6e 63 | efault_fingerprint_size......inc |
29f00 | 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 2d 38 2d 39 | hi.W...InChI=1S/C12H8Cl6/c13-8-9 |
29f20 | 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 31 30 28 38 | (14)11(16)7-5-2-1-4(3-5)6(7)10(8 |
29f40 | 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 32 00 00 70 | ,15)12(11,17)18/h1-2,4-7H,3H2..p |
29f60 | 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 c2 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..5+r.5o....warnings... |
29f80 | 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 00 00 02 | ....fingerprints.D....MP2D.9.... |
29fa0 | 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 00 02 31 00 | 0.....15;1-1-2;2-1-2;2-1-15;..1. |
29fc0 | 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 00 1c 00 00 | ....2;1-1-2;1-2-15;2-1-1;..2.... |
29fe0 | 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 02 33 00 | .2;1-1-1;1-1-2;2-2-1;2-2-15;..3. |
2a000 | 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 32 2d 32 3b 00 02 | ....1;1-2-1;1-1-2;2-4-1;2-2-2;.. |
2a020 | 34 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 3b | 4.'...1;1-2-1;1-1-2;2-4-1;2-1-2; |
2a040 | 32 2d 31 2d 38 3b 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 | 2-1-8;2-1-9;..5.....1;1-4-1;2-2- |
2a060 | 31 3b 32 2d 32 2d 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 | 1;2-2-2;..6.....1;1-1-1;2-3-1;.. |
2a080 | 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 3b | 7.....2;1-1-1;1-1-8;1-1-9;2-3-1; |
2a0a0 | 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. |
2a0c0 | 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 32 2d | !...8;1-1-1;1-1-2;2-1-1;2-1-3;2- |
2a0e0 | 31 2d 39 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 32 | 1-9;..10.....1;1-1-3;1-1-8;2-1-2 |
2a100 | 3b 32 2d 32 2d 33 3b 00 02 31 31 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d | ;2-2-3;..11.....3;1-1-1;1-2-3;2- |
2a120 | 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 31 | 2-3;2-1-8;..12.....3;1-2-3;2-1-1 |
2a140 | 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;.. |
2a160 | 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 35 00 | 14.....3;1-2-3;2-2-3;2-1-8;..15. |
2a180 | 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 36 00 1b 00 00 | ....3;1-2-3;1-1-8;2-3-3;..16.... |
2a1a0 | 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 37 00 | .3;1-2-3;2-1-1;2-2-3;2-1-8;..17. |
2a1c0 | 0f 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 | ....8;1-2-3;2-4-3;....dataset_id |
2a1e0 | 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 | s......0.V..4+r.5o....1.V..:+r.5 |
2a200 | 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 | o....2.V..;+r.5o....3.V..<+r.5o. |
2a220 | 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca | ...4.V..=+r.5o....5.V..>+r.5o... |
2a240 | 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 | .6.V..?+r.5o....7.V..@+r.5o....8 |
2a260 | 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 | .V..A+r.5o....9.V..B+r.5o....10. |
2a280 | 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 | V..C+r.5o.....features./....56ba |
2a2a0 | 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 43 bc 13 4b | 0c342b72ed356f000000......0.C..K |
2a2c0 | 33 5b b0 3f 00 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 | 3[.?...smiles./...ClC(=CC1C(C1(C |
2a2e0 | 29 43 29 43 28 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 | )C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl |
2a300 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 e8 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.....R....created_at |
2a320 | 00 fa b0 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | .....R....default_fingerprint_si |
2a340 | 7a 65 00 12 00 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 | ze......inchi.|...InChI=1S/C21H2 |
2a360 | 30 43 6c 32 4f 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 | 0Cl2O3/c1-21(2)17(12-18(22)23)19 |
2a380 | 28 32 31 29 32 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 | (21)20(24)25-13-14-7-6-10-16(11- |
2a3a0 | 31 34 29 32 36 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 | 14)26-15-8-4-3-5-9-15/h3-12,17,1 |
2a3c0 | 39 48 2c 31 33 48 32 2c 31 2d 32 48 33 00 00 c7 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 | 9H,13H2,1-2H3......._id.V..5+r.5 |
2a3e0 | 6f 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 6e 74 73 | o....warnings.......fingerprints |
2a400 | 00 c6 01 00 00 04 4d 50 32 44 00 bb 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- |
2a420 | 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- |
2a440 | 31 3b 32 2d 31 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 | 1;2-1-2;..2.....28;1-2-1;1-1-2;2 |
2a460 | 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 39 | -3-1;2-1-9;..3."...2;1-1-1;1-1-9 |
2a480 | 3b 31 2d 31 2d 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 | ;1-1-28;2-3-1;2-1-8;..4.....9;1- |
2a4a0 | 31 2d 32 3b 32 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 | 1-2;2-1-1;2-1-28;..5.(...1;1-1-1 |
2a4c0 | 3b 31 2d 31 2d 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 | ;1-1-2;1-1-8;2-1-3;2-1-9;2-1-28; |
2a4e0 | 00 02 36 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 | ..6.!...8;1-1-1;1-1-3;2-1-1;2-1- |
2a500 | 32 3b 32 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 | 2;2-2-3;..7.....3;1-2-3;1-1-8;2- |
2a520 | 31 2d 31 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 33 3b | 1-1;2-3-3;..8.....3;1-2-3;2-2-3; |
2a540 | 32 2d 31 2d 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 | 2-1-8;..9.....3;1-2-3;2-2-3;..10 |
2a560 | 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 00 33 3b 31 2d | .....3;1-2-3;2-3-3;..11.....3;1- |
2a580 | 33 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 34 2d 33 | 3-3;2-4-3;..12.....3;1-3-3;2-4-3 |
2a5a0 | 3b 32 2d 31 2d 38 3b 00 02 31 33 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d | ;2-1-8;..13.....1;1-1-1;2-1-2;2- |
2a5c0 | 31 2d 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b | 1-8;....dataset_ids......0.V..4+ |
2a5e0 | 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed | r.5o....1.V..:+r.5o....2.V..;+r. |
2a600 | 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f | 5o....3.V..<+r.5o....4.V..=+r.5o |
2a620 | 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 | ....5.V..>+r.5o....6.V..?+r.5o.. |
2a640 | cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 | ..7.V..@+r.5o....8.V..A+r.5o.... |
2a660 | 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 00 03 | 9.V..B+r.5o....10.V..C+r.5o..... |
2a680 | 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 | features./....56ba0c342b72ed356f |
2a6a0 | 30 30 30 30 30 30 00 10 00 00 00 01 30 00 2b 5d aa c1 dd 95 d7 3f 00 00 02 73 6d 69 6c 65 73 00 | 000000......0.+].....?...smiles. |
2a6c0 | 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 29 43 | ....CCN(C(=O)C(Oc1cccc2c1cccc2)C |
2a6e0 | 29 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 87 e6 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 | )CC..updated_at.....R....created |
2a700 | 5f 61 74 00 00 b1 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at.....R....default_fingerprint |
2a720 | 5f 73 69 7a 65 00 0e 00 00 00 02 69 6e 63 68 69 00 60 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 | _size......inchi.`...InChI=1S/C1 |
2a740 | 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 29 32 | 7H21NO2/c1-4-18(5-2)17(19)13(3)2 |
2a760 | 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 29 31 | 0-16-12-8-10-14-9-6-7-11-15(14)1 |
2a780 | 36 2f 68 36 2d 31 33 48 2c 34 2d 35 48 32 2c 31 2d 33 48 33 00 00 10 04 00 00 07 5f 69 64 00 56 | 6/h6-13H,4-5H2,1-3H3......._id.V |
2a7a0 | ba 0c 35 2b 72 ed 35 6f 00 00 c4 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..5+r.5o....warnings.......finge |
2a7c0 | 72 70 72 69 6e 74 73 00 f0 01 00 00 04 4d 50 32 44 00 e5 01 00 00 02 30 00 16 00 00 00 31 35 3b | rprints......MP2D......0.....15; |
2a7e0 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 00 22 00 00 00 31 3b 31 2d 31 2d | 1-1-1;2-1-1;2-1-2;..1."...1;1-1- |
2a800 | 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 32 3b 00 02 32 00 1c | 1;1-1-2;1-1-15;2-2-1;2-1-2;..2.. |
2a820 | 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 31 35 3b 00 02 | ...2;1-1-1;1-1-2;2-2-1;2-1-15;.. |
2a840 | 33 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 34 00 22 00 | 3.....2;1-1-1;1-1-2;2-3-1;..4.". |
2a860 | 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 32 3b 32 2d 31 2d | ..1;1-2-1;1-1-2;2-3-1;2-2-2;2-1- |
2a880 | 31 35 3b 00 02 35 00 1c 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 32 2d 31 3b 32 2d 33 2d 32 3b 32 | 15;..5.....1;1-3-1;2-2-1;2-3-2;2 |
2a8a0 | 2d 32 2d 31 35 3b 00 02 36 00 29 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d | -2-15;..6.)...1;1-2-1;1-1-2;1-1- |
2a8c0 | 31 35 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 33 2d 31 35 3b 00 02 37 00 16 00 00 00 31 35 | 15;2-3-1;2-1-2;2-3-15;..7.....15 |
2a8e0 | 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 38 00 23 00 00 00 32 3b 31 2d 31 | ;1-1-1;2-2-1;2-1-2;..8.#...2;1-1 |
2a900 | 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 39 | -1;1-1-2;1-1-15;2-3-1;2-2-15;..9 |
2a920 | 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 3b | .)...1;1-2-1;1-1-2;1-1-15;2-2-1; |
2a940 | 32 2d 32 2d 32 3b 32 2d 33 2d 31 35 3b 00 02 31 30 00 23 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d | 2-2-2;2-3-15;..10.#...1;1-2-1;1- |
2a960 | 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 31 00 17 00 00 | 2-15;2-2-1;2-2-2;2-2-15;..11.... |
2a980 | 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 32 00 16 00 00 00 | .15;1-1-1;2-2-1;2-1-15;..12..... |
2a9a0 | 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 04 64 61 74 61 73 65 74 | 15;1-1-2;2-1-1;2-1-2;....dataset |
2a9c0 | 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b | _ids......0.V..4+r.5o....1.V..:+ |
2a9e0 | 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed | r.5o....2.V..;+r.5o....3.V..<+r. |
2aa00 | 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f | 5o....4.V..=+r.5o....5.V..>+r.5o |
2aa20 | 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 | ....6.V..?+r.5o....7.V..@+r.5o.. |
2aa40 | cd 07 38 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 39 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 | ..8.V..@+r.5o....9.V..A+r.5o.... |
2aa60 | 31 30 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 | 10.V..B+r.5o....11.V..B+r.5o.... |
2aa80 | 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 | 12.V..C+r.5o.....features.:....5 |
2aaa0 | 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 c2 | 6ba0c342b72ed356f000000......0.. |
2aac0 | 03 74 4e 9b f1 45 3f 01 31 00 04 5f 8b 8d 61 ad 50 3f 00 00 02 73 6d 69 6c 65 73 00 2b 00 00 00 | .tN..E?.1.._..a.P?...smiles.+... |
2aae0 | 43 6c 43 31 43 3d 43 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 | ClC1C=CC2C1C1(Cl)C(=C(C2(C1(Cl)C |
2ab00 | 6c 29 43 6c 29 43 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 70 ea bf c6 52 01 00 00 09 | l)Cl)Cl)Cl..updated_at.p...R.... |
2ab20 | 63 72 65 61 74 65 64 5f 61 74 00 06 b1 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at.....R....default_fing |
2ab40 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0d 00 00 00 02 69 6e 63 68 69 00 49 00 00 00 49 6e 43 68 | erprint_size......inchi.I...InCh |
2ab60 | 49 3d 31 53 2f 43 31 30 48 35 43 6c 37 2f 63 31 31 2d 34 2d 32 2d 31 2d 33 2d 35 28 34 29 39 28 | I=1S/C10H5Cl7/c11-4-2-1-3-5(4)9( |
2ab80 | 31 35 29 37 28 31 33 29 36 28 31 32 29 38 28 33 2c 31 34 29 31 30 28 39 2c 31 36 29 31 37 2f 68 | 15)7(13)6(12)8(3,14)10(9,16)17/h |
2aba0 | 31 2d 35 48 00 00 85 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 c5 04 77 61 72 6e | 1-5H......._id.V..5+r.5o....warn |
2abc0 | 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 50 32 | ings.......fingerprints......MP2 |
2abe0 | 44 00 98 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 00 | D......0.....1;1-1-28;2-1-2;..1. |
2ac00 | 1c 00 00 00 32 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 | ....28;1-1-1;1-1-2;2-1-2;2-1-9;. |
2ac20 | 02 32 00 22 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 | .2."...2;1-1-2;1-1-9;1-1-28;2-1- |
2ac40 | 31 3b 32 2d 31 2d 32 3b 00 02 33 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d | 1;2-1-2;..3.....9;1-1-2;2-1-2;2- |
2ac60 | 31 2d 32 38 3b 00 02 34 00 1c 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 39 | 1-28;..4.....2;1-2-2;2-1-1;2-2-9 |
2ac80 | 3b 32 2d 31 2d 32 38 3b 00 02 35 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d | ;2-1-28;..5."...2;1-1-1;1-1-2;1- |
2aca0 | 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 32 3b 00 02 36 00 28 00 00 00 39 3b 31 2d 31 2d 32 | 1-9;2-1-2;2-1-12;..6.(...9;1-1-2 |
2acc0 | 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 32 2d 31 2d 39 3b | ;1-1-12;2-1-1;2-1-2;2-2-8;2-1-9; |
2ace0 | 00 02 37 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 | ..7.....12;1-2-8;1-2-9;2-2-1;2-1 |
2ad00 | 2d 32 3b 00 02 38 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 | -2;..8.....9;1-1-12;2-2-8;2-1-9; |
2ad20 | 00 02 39 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 | ..9.....8;1-1-1;1-1-12;2-1-8;2-2 |
2ad40 | 2d 39 3b 00 02 31 30 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 31 31 00 | -9;..10.....1;1-1-8;2-1-12;..11. |
2ad60 | 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 00 00 04 64 61 74 61 | ....1;1-1-2;2-1-2;2-1-9;....data |
2ad80 | 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba | set_ids......0.V..4+r.5o....1.V. |
2ada0 | 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c | .:+r.5o....2.V..;+r.5o....3.V..< |
2adc0 | 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 | +r.5o....4.V..=+r.5o....5.V..>+r |
2ade0 | ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 | .5o....6.V..?+r.5o....7.V..@+r.5 |
2ae00 | 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 | o....8.V..A+r.5o....9.V..B+r.5o. |
2ae20 | 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 | ...10.V..C+r.5o.....features./.. |
2ae40 | 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 | ..56ba0c342b72ed356f000000...... |
2ae60 | 30 00 c3 66 40 f8 d1 84 60 3f 00 00 02 73 6d 69 6c 65 73 00 1a 00 00 00 43 4e 43 28 3d 4f 29 43 | 0..f@...`?...smiles.....CNC(=O)C |
2ae80 | 3d 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 67 e6 | =C(OP(=O)(OC)OC)C..updated_at.g. |
2aea0 | bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 0c b1 bf c6 52 01 00 00 10 64 65 66 61 75 | ..R....created_at.....R....defau |
2aec0 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0c 00 00 00 02 69 6e 63 68 69 00 47 | lt_fingerprint_size......inchi.G |
2aee0 | 00 00 00 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 | ...InChI=1S/C7H14NO5P/c1-6(5-7(9 |
2af00 | 29 38 2d 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 | )8-2)13-14(10,11-3)12-4/h5H,1-4H |
2af20 | 33 2c 28 48 2c 38 2c 39 29 00 00 06 05 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 c6 | 3,(H,8,9)......._id.V..5+r.5o... |
2af40 | 04 77 61 72 6e 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 | .warnings.......fingerprints.... |
2af60 | 00 04 4d 50 32 44 00 d5 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b | ..MP2D......0.....1;1-1-1;2-2-1; |
2af80 | 00 02 31 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 | ..1.....1;1-3-1;2-1-1;2-1-2;2-1- |
2afa0 | 36 3b 00 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 | 6;..2.....1;1-2-1;1-1-2;1-1-6;2- |
2afc0 | 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 33 00 1b 00 00 00 31 | 2-1;2-1-2;2-1-9;2-1-28;..3.....1 |
2afe0 | 3b 31 2d 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 | ;1-1-1;2-1-1;2-1-2;2-1-6;..4.(.. |
2b000 | 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 33 | .6;1-1-1;1-1-2;2-2-1;2-1-2;2-1-3 |
2b020 | 3b 32 2d 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 | ;2-1-28;..5./...2;1-1-3;1-1-6;1- |
2b040 | 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 00 02 | 1-28;2-1-1;2-1-2;2-1-3;2-1-11;.. |
2b060 | 36 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 36 | 6."...28;1-2-2;2-1-1;2-1-3;2-1-6 |
2b080 | 3b 32 2d 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 | ;2-1-9;..7.(...2;1-1-1;1-1-9;1-1 |
2b0a0 | 2d 32 38 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 | -28;2-2-1;2-1-2;2-1-6;..8.....9; |
2b0c0 | 31 2d 31 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 | 1-1-2;2-1-1;2-1-28;..9./...3;1-1 |
2b0e0 | 2d 32 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 31 2d | -2;1-1-3;1-1-11;2-1-2;2-2-3;2-1- |
2b100 | 36 3b 32 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 | 6;2-1-28;..10.....11;1-2-3;2-1-2 |
2b120 | 3b 32 2d 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 | ;2-3-3;..11.....3;1-2-3;1-1-11;2 |
2b140 | 2d 34 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 | -4-3;..12.....3;1-2-3;2-2-3;2-1- |
2b160 | 31 31 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 | 11;..13.....3;1-2-3;2-2-3;..14.. |
2b180 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 35 00 16 00 00 00 33 3b 31 2d 33 2d | ...3;1-2-3;2-3-3;..15.....3;1-3- |
2b1a0 | 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | 3;2-3-3;2-1-11;..16.....3;1-2-3; |
2b1c0 | 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 02 31 37 00 29 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 | 2-1-2;2-3-3;..17.)...3;1-1-2;1-2 |
2b1e0 | 2d 33 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 32 2d 33 32 3b 00 02 31 | -3;2-1-2;2-1-3;2-1-11;2-2-32;..1 |
2b200 | 38 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 31 39 00 | 8.....2;1-1-3;1-2-32;2-2-3;..19. |
2b220 | 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 00 04 64 61 | ....32;1-1-2;2-1-3;2-1-32;....da |
2b240 | 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 | taset_ids......0.V..4+r.5o....1. |
2b260 | 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba | V..9+r.5o....2.V..;+r.5o....3.V. |
2b280 | 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e | .<+r.5o....4.V..=+r.5o....5.V..> |
2b2a0 | 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 | +r.5o....6.V..?+r.5o....7.V..@+r |
2b2c0 | ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 | .5o....8.V..A+r.5o....9.V..B+r.5 |
2b2e0 | 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f | o....10.V..C+r.5o.....features./ |
2b300 | 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 | ....56ba0c342b72ed356f000000.... |
2b320 | 00 01 30 00 8f ec ce 16 ff 71 b0 3f 00 00 02 73 6d 69 6c 65 73 00 29 00 00 00 43 43 28 43 31 28 | ..0......q.?...smiles.)...CC(C1( |
2b340 | 43 29 4e 3d 43 28 4e 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 | C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O |
2b360 | 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 68 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f | )C..updated_at.h...R....created_ |
2b380 | 61 74 00 12 b1 bf c6 52 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.....R....default_fingerprint_ |
2b3a0 | 73 69 7a 65 00 14 00 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 | size......inchi.|...InChI=1S/C17 |
2b3c0 | 48 31 37 4e 33 4f 33 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 | H17N3O3/c1-9(2)17(3)16(23)19-14( |
2b3e0 | 32 30 2d 31 37 29 31 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 | 20-17)13-11(15(21)22)8-10-6-4-5- |
2b400 | 37 2d 31 32 28 31 30 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 | 7-12(10)18-13/h4-9H,1-3H3,(H,21, |
2b420 | 32 32 29 28 48 2c 31 39 2c 32 30 2c 32 33 29 00 00 03 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 | 22)(H,19,20,23)......._id.V..5+r |
2b440 | ed 35 6f 00 00 c7 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .5o....warnings.......fingerprin |
2b460 | 74 73 00 0d 01 00 00 04 4d 50 32 44 00 02 01 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b | ts......MP2D......0.....1;1-1-1; |
2b480 | 32 2d 31 2d 31 3b 32 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 | 2-1-1;2-1-19;..1.....1;1-2-1;1-1 |
2b4a0 | 2d 31 39 3b 32 2d 31 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 | -19;2-1-3;..2.....19;1-1-1;1-1-3 |
2b4c0 | 3b 32 2d 32 2d 31 3b 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 | ;2-2-1;2-2-11;..3.....3;1-2-11;1 |
2b4e0 | 2d 31 2d 31 39 3b 32 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 | -1-19;2-1-1;2-2-3;..4.....11;1-2 |
2b500 | 2d 33 3b 32 2d 32 2d 31 31 3b 32 2d 32 2d 31 39 3b 00 02 35 00 1f 00 00 00 31 31 3b 31 2d 32 2d | -3;2-2-11;2-2-19;..5.....11;1-2- |
2b520 | 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 36 00 17 00 00 00 33 | 3;2-2-11;2-1-15;2-1-19;..6.....3 |
2b540 | 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 37 00 11 00 00 00 31 35 3b | ;1-2-11;1-1-15;2-2-3;..7.....15; |
2b560 | 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 | 1-1-3;2-2-11;....dataset_ids.... |
2b580 | 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 | ..0.V..4+r.5o....1.V..:+r.5o.... |
2b5a0 | 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 | 2.V..;+r.5o....3.V..<+r.5o....4. |
2b5c0 | 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba | V..=+r.5o....5.V..=+r.5o....6.V. |
2b5e0 | 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 | .?+r.5o....7.V..@+r.5o....8.V..A |
2b600 | 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b | +r.5o....9.V..B+r.5o....10.V..C+ |
2b620 | 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 | r.5o.....features./....56ba0c342 |
2b640 | 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 cf f3 bd f1 79 dc cb 3f 00 | b72ed356f000000......0.....y..?. |
2b660 | 00 02 73 6d 69 6c 65 73 00 1b 00 00 00 43 43 28 4e 63 31 6e 63 28 4e 43 28 43 29 43 29 6e 63 28 | ..smiles.....CC(Nc1nc(NC(C)C)nc( |
2b680 | 6e 31 29 43 6c 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 69 e9 bf c6 52 01 00 00 09 63 72 65 | n1)Cl)C..updated_at.i...R....cre |
2b6a0 | 61 74 65 64 5f 61 74 00 18 b1 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at.....R....default_fingerp |
2b6c0 | 72 69 6e 74 5f 73 69 7a 65 00 08 00 00 00 02 69 6e 63 68 69 00 5a 00 00 00 49 6e 43 68 49 3d 31 | rint_size......inchi.Z...InChI=1 |
2b6e0 | 53 2f 43 39 48 31 36 43 6c 4e 35 2f 63 31 2d 35 28 32 29 31 31 2d 38 2d 31 33 2d 37 28 31 30 29 | S/C9H16ClN5/c1-5(2)11-8-13-7(10) |
2b700 | 31 34 2d 39 28 31 35 2d 38 29 31 32 2d 36 28 33 29 34 2f 68 35 2d 36 48 2c 31 2d 34 48 33 2c 28 | 14-9(15-8)12-6(3)4/h5-6H,1-4H3,( |
2b720 | 48 32 2c 31 31 2c 31 32 2c 31 33 2c 31 34 2c 31 35 29 00 00 2b 03 00 00 07 5f 69 64 00 56 ba 0c | H2,11,12,13,14,15)..+...._id.V.. |
2b740 | 35 2b 72 ed 35 6f 00 00 c8 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | 5+r.5o....warnings.......fingerp |
2b760 | 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 35 3b 31 2d | rints......MP2D......0.....15;1- |
2b780 | 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 31 2d 31 2d 31 35 | 1-1;2-3-1;..1.....1;1-3-1;1-1-15 |
2b7a0 | 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 33 2d 31 3b 32 2d | ;2-5-1;2-3-15;..2.....1;1-3-1;2- |
2b7c0 | 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 3b 31 2d 31 2d 31 | 6-1;2-3-15;..3.....1;1-3-1;1-1-1 |
2b7e0 | 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 2d 33 2d 31 3b 31 | 5;2-6-1;2-2-15;..4.....1;1-3-1;1 |
2b800 | 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 00 31 3b 31 2d 32 | -1-15;2-5-1;2-4-15;..5.....1;1-2 |
2b820 | 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 00 17 00 00 00 31 | -1;1-2-15;2-4-1;2-2-15;..6.....1 |
2b840 | 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 1d 00 00 00 31 3b 31 | 5;1-1-1;2-2-1;2-1-15;..7.....1;1 |
2b860 | 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 00 00 04 64 61 74 | -3-1;1-1-15;2-6-1;2-3-15;....dat |
2b880 | 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 | aset_ids......0.V..4+r.5o....1.V |
2b8a0 | ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c | ..:+r.5o....2.V..;+r.5o....3.V.. |
2b8c0 | 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b | <+r.5o....4.V..=+r.5o....5.V..>+ |
2b8e0 | 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed | r.5o....6.V..?+r.5o....7.V..@+r. |
2b900 | 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f | 5o....8.V..A+r.5o....9.V..B+r.5o |
2b920 | 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 00 03 66 65 61 74 75 72 65 73 00 2f 00 | ....10.V..C+r.5o.....features./. |
2b940 | 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 | ...56ba0c342b72ed356f000000..... |
2b960 | 01 30 00 0d 75 54 26 22 84 f4 3e 00 00 02 73 6d 69 6c 65 73 00 3d 00 00 00 43 6c 43 31 32 43 33 | .0..uT&"..>...smiles.=...ClC12C3 |
2b980 | 43 34 28 43 28 43 31 28 43 6c 29 43 6c 29 28 43 31 28 43 32 28 43 33 28 43 6c 29 43 28 43 34 31 | C4(C(C1(Cl)Cl)(C1(C2(C3(Cl)C(C41 |
2b9a0 | 43 6c 29 28 43 6c 29 43 6c 29 43 6c 29 43 6c 29 43 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 | Cl)(Cl)Cl)Cl)Cl)Cl)Cl..updated_a |
2b9c0 | 74 00 85 e6 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 29 b1 bf c6 52 01 00 00 10 64 | t.....R....created_at.)...R....d |
2b9e0 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 08 00 00 00 02 69 6e 63 | efault_fingerprint_size......inc |
2ba00 | 68 69 00 57 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 43 6c 31 31 2f 63 31 31 2d 32 2d 31 | hi.W...InChI=1S/C10HCl11/c11-2-1 |
2ba20 | 2d 33 28 31 32 29 35 28 31 34 29 34 28 31 2c 31 33 29 31 30 28 32 30 2c 32 31 29 37 28 32 2c 31 | -3(12)5(14)4(1,13)10(20,21)7(2,1 |
2ba40 | 36 29 38 28 35 2c 31 37 29 36 28 32 2c 31 35 29 39 28 33 2c 31 38 29 31 39 2f 68 31 48 00 00 c6 | 6)8(5,17)6(2,15)9(3,18)19/h1H... |
2ba60 | 02 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 c9 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..5+r.5o....warnings... |
2ba80 | 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 00 00 00 02 | ....fingerprints......MP2D...... |
2baa0 | 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- |
2bac0 | 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 00 00 32 3b | 1-1;1-1-2;2-1-3;2-1-9;..2.!...2; |
2bae0 | 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;.. |
2bb00 | 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 34 00 27 00 | 3.....9;1-1-2;2-1-3;2-1-8;..4.'. |
2bb20 | 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 2d | ..3;1-1-2;1-2-3;2-1-2;2-2-3;2-1- |
2bb40 | 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 32 3b 32 2d | 8;2-1-9;..5.....3;1-2-3;2-1-2;2- |
2bb60 | 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 00 00 04 64 61 | 2-3;..6.....3;1-2-3;2-2-3;....da |
2bb80 | 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 | taset_ids......0.V..4+r.5o....1. |
2bba0 | 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba | V..:+r.5o....2.V..;+r.5o....3.V. |
2bbc0 | 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e | .<+r.5o....4.V..=+r.5o....5.V..> |
2bbe0 | 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 | +r.5o....6.V..?+r.5o....7.V..@+r |
2bc00 | ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 39 00 56 ba 0c 42 2b 72 ed 35 | .5o....8.V..A+r.5o....9.V..B+r.5 |
2bc20 | 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f | o....10.V..C+r.5o.....features./ |
2bc40 | 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 | ....56ba0c342b72ed356f000000.... |
2bc60 | 00 01 30 00 c1 ec 50 57 59 99 24 40 00 00 02 73 6d 69 6c 65 73 00 17 00 00 00 43 4f 43 28 3d 4f | ..0...PWY.$@...smiles.....COC(=O |
2bc80 | 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 26 ea bf | )c1ccccc1C(=O)OC..updated_at.&.. |
2bca0 | c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 2e b1 bf c6 52 01 00 00 10 64 65 66 61 75 6c | .R....created_at.....R....defaul |
2bcc0 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 07 00 00 00 02 69 6e 63 68 69 00 42 00 | t_fingerprint_size......inchi.B. |
2bce0 | 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 31 29 37 | ..InChI=1S/C10H10O4/c1-13-9(11)7 |
2bd00 | 2d 35 2d 33 2d 34 2d 36 2d 38 28 37 29 31 30 28 31 32 29 31 34 2d 32 2f 68 33 2d 36 48 2c 31 2d | -5-3-4-6-8(7)10(12)14-2/h3-6H,1- |
2bd20 | 32 48 33 00 00 70 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 ca 04 77 61 72 6e 69 | 2H3..p...._id.V..5+r.5o....warni |
2bd40 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 5a 01 00 00 04 4d 50 32 44 | ngs.......fingerprints.Z....MP2D |
2bd60 | 00 4f 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 | .O....0.....1;1-1-1;2-1-8;..1... |
2bd80 | 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 2a 00 00 00 38 | ..1;1-1-1;1-1-8;2-1-12;..2.*...8 |
2bda0 | 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 31 30 | ;1-1-1;1-1-12;2-1-1;2-1-8;2-1-10 |
2bdc0 | 3b 32 2d 31 2d 31 38 3b 00 02 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;..3.....12;1-2-8;1-1-10; |
2bde0 | 31 2d 31 2d 31 38 3b 32 2d 33 2d 31 3b 00 02 34 00 18 00 00 00 31 38 3b 31 2d 31 2d 31 32 3b 32 | 1-1-18;2-3-1;..4.....18;1-1-12;2 |
2be00 | 2d 32 2d 38 3b 32 2d 31 2d 31 30 3b 00 02 35 00 25 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 | -2-8;2-1-10;..5.%...10;1-1-1;1-1 |
2be20 | 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 36 00 17 00 00 00 | -12;2-2-8;2-1-10;2-1-18;..6..... |
2be40 | 31 3b 31 2d 32 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 32 3b 00 02 37 00 17 00 00 00 31 30 | 1;1-2-10;2-1-1;2-1-12;..7.....10 |
2be60 | 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 38 00 16 00 00 00 31 3b 31 2d | ;1-2-1;2-3-1;2-1-10;..8.....1;1- |
2be80 | 33 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 00 02 39 00 16 00 00 00 31 3b 31 2d 31 2d 31 | 3-1;1-1-10;2-1-1;..9.....1;1-1-1 |
2bea0 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 30 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 | ;2-2-1;2-1-10;....dataset_ids... |
2bec0 | 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 | ...0.V..4+r.5o....1.V..:+r.5o... |
2bee0 | 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 | .2.V..;+r.5o....3.V..<+r.5o....4 |
2bf00 | 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 | .V..=+r.5o....5.V..=+r.5o....6.V |
2bf20 | ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 38 00 56 ba 0c | ..>+r.5o....7.V..?+r.5o....8.V.. |
2bf40 | 40 2b 72 ed 35 6f 00 01 cd 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c 41 | @+r.5o....9.V..@+r.5o....10.V..A |
2bf60 | 2b 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 | +r.5o....11.V..B+r.5o....12.V..C |
2bf80 | 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 45 00 00 00 04 35 36 62 61 30 63 33 34 | +r.5o.....features.E....56ba0c34 |
2bfa0 | 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 26 00 00 00 01 30 00 89 d7 75 b4 b9 b8 26 3f | 2b72ed356f000000.&....0...u...&? |
2bfc0 | 01 31 00 6b 4d 93 21 e8 66 7c 3f 01 32 00 3e 9c c0 0b 12 44 2b 3f 00 00 02 73 6d 69 6c 65 73 00 | .1.kM.!.f|?.2.>....D+?...smiles. |
2bfe0 | 19 00 00 00 43 43 4f 50 28 3d 53 29 28 53 43 53 43 28 43 29 28 43 29 43 29 4f 43 43 00 09 75 70 | ....CCOP(=S)(SCSC(C)(C)C)OCC..up |
2c000 | 64 61 74 65 64 5f 61 74 00 e5 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 34 b1 bf | dated_at.....R....created_at.4.. |
2c020 | c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0a | .R....default_fingerprint_size.. |
2c040 | 00 00 00 02 69 6e 63 68 69 00 46 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 32 31 4f 32 50 53 | ....inchi.F...InChI=1S/C9H21O2PS |
2c060 | 33 2f 63 31 2d 36 2d 31 30 2d 31 32 28 31 33 2c 31 31 2d 37 2d 32 29 31 35 2d 38 2d 31 34 2d 39 | 3/c1-6-10-12(13,11-7-2)15-8-14-9 |
2c080 | 28 33 2c 34 29 35 2f 68 36 2d 38 48 32 2c 31 2d 35 48 33 00 00 3b 03 00 00 07 5f 69 64 00 56 ba | (3,4)5/h6-8H2,1-5H3..;...._id.V. |
2c0a0 | 0c 35 2b 72 ed 35 6f 00 00 cb 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | .5+r.5o....warnings.......finger |
2c0c0 | 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 31 2d | prints.T....MP2D.I....0.....1;1- |
2c0e0 | 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; |
2c100 | 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 32 3b 32 2d | 2-1-12;..2.#...8;1-1-1;1-1-12;2- |
2c120 | 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 30 3b 00 02 33 00 1d 00 00 00 31 32 3b 31 2d 31 2d | 1-1;2-1-9;2-2-10;..3.....12;1-1- |
2c140 | 38 3b 31 2d 31 2d 39 3b 31 2d 32 2d 31 30 3b 32 2d 33 2d 31 3b 00 02 34 00 17 00 00 00 39 3b 31 | 8;1-1-9;1-2-10;2-3-1;..4.....9;1 |
2c160 | 2d 31 2d 31 32 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 30 3b 00 02 35 00 2a 00 00 00 31 30 3b 31 2d | -1-12;2-1-8;2-2-10;..5.*...10;1- |
2c180 | 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 32 2d 31 | 1-1;1-1-12;2-2-1;2-1-8;2-1-9;2-1 |
2c1a0 | 2d 31 30 3b 00 02 36 00 1d 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 | -10;..6.....1;1-2-1;1-1-10;2-1-1 |
2c1c0 | 3b 32 2d 31 2d 31 32 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 | ;2-1-12;..7.....1;1-2-1;2-1-1;2- |
2c1e0 | 31 2d 31 30 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 16 | 1-10;..8.....1;1-1-1;2-1-1;..9.. |
2c200 | 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 04 64 61 74 61 | ...1;1-1-1;2-1-1;2-1-10;....data |
2c220 | 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba | set_ids......0.V..4+r.5o....1.V. |
2c240 | 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c | .:+r.5o....2.V..;+r.5o....3.V..< |
2c260 | 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 | +r.5o....4.V..=+r.5o....5.V..>+r |
2c280 | ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 | .5o....6.V..?+r.5o....7.V..@+r.5 |
2c2a0 | 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 | o....8.V..A+r.5o....9.V..B+r.5o. |
2c2c0 | 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 | ...10.V..C+r.5o.....features./.. |
2c2e0 | 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 | ..56ba0c342b72ed356f000000...... |
2c300 | 30 00 92 f1 51 c5 f6 4b 4e 3f 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 43 43 4f 50 28 3d 4f 29 | 0...Q..KN?...smiles.....CCOP(=O) |
2c320 | 28 53 43 28 43 43 29 43 29 53 43 28 43 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 07 ea bf | (SC(CC)C)SC(CC)C..updated_at.... |
2c340 | c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 39 b1 bf c6 52 01 00 00 10 64 65 66 61 75 6c | .R....created_at.9...R....defaul |
2c360 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0a 00 00 00 02 69 6e 63 68 69 00 4d 00 | t_fingerprint_size......inchi.M. |
2c380 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 32 33 4f 32 50 53 32 2f 63 31 2d 36 2d 39 28 34 29 | ..InChI=1S/C10H23O2PS2/c1-6-9(4) |
2c3a0 | 31 34 2d 31 33 28 31 31 2c 31 32 2d 38 2d 33 29 31 35 2d 31 30 28 35 29 37 2d 32 2f 68 39 2d 31 | 14-13(11,12-8-3)15-10(5)7-2/h9-1 |
2c3c0 | 30 48 2c 36 2d 38 48 32 2c 31 2d 35 48 33 00 00 5d 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed | 0H,6-8H2,1-5H3..]...._id.V..5+r. |
2c3e0 | 35 6f 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 6e 74 | 5o....warnings.......fingerprint |
2c400 | 73 00 5a 02 00 00 04 4d 50 32 44 00 4f 02 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b | s.Z....MP2D.O....0.....15;1-1-1; |
2c420 | 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 32 2d 32 | 2-1-1;..1.....1;1-1-1;1-1-15;2-2 |
2c440 | 2d 31 3b 00 02 32 00 1d 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 31 35 3b | -1;..2.....1;1-3-1;2-1-2;2-2-15; |
2c460 | 32 2d 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 | 2-1-28;..3."...1;1-1-1;1-1-28;2- |
2c480 | 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 34 00 28 00 00 00 32 38 3b 31 2d 31 2d 31 | 2-1;2-1-2;2-1-3;..4.(...28;1-1-1 |
2c4a0 | 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 2d 39 3b 00 | ;1-1-2;1-1-3;2-2-1;2-2-3;2-1-9;. |
2c4c0 | 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 32 2d | .5.)...2;1-1-1;1-1-9;1-1-28;2-2- |
2c4e0 | 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 36 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 | 1;2-1-3;2-1-15;..6.....9;1-1-2;2 |
2c500 | 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 37 00 29 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -1-1;2-1-28;..7.)...1;1-1-1;1-1- |
2c520 | 32 3b 31 2d 31 2d 31 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 | 2;1-1-15;2-2-1;2-1-9;2-1-28;..8. |
2c540 | 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 00 02 39 00 22 00 00 | ....15;1-1-1;2-1-1;2-1-2;..9.".. |
2c560 | 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 32 2d 32 2d | .3;1-2-3;1-1-28;2-1-1;2-1-2;2-2- |
2c580 | 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 32 38 3b | 3;..10.....3;1-2-3;2-2-3;2-1-28; |
2c5a0 | 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 15 00 00 00 | ..11.....3;1-2-3;2-2-3;..12..... |
2c5c0 | 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 1c 00 00 00 33 3b 31 | 3;1-2-3;2-1-1;2-2-3;..13.....3;1 |
2c5e0 | 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 34 00 1c 00 00 | -1-1;1-2-3;2-2-3;2-3-16;..14.... |
2c600 | 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 00 02 31 35 | .3;1-2-3;2-1-1;2-2-3;2-1-28;..15 |
2c620 | 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 36 00 17 | .....1;1-1-3;1-3-16;2-2-3;..16.. |
2c640 | 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 04 64 61 74 | ...16;1-1-1;2-1-3;2-2-16;....dat |
2c660 | 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 | aset_ids......0.V..4+r.5o....1.V |
2c680 | ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c | ..:+r.5o....2.V..;+r.5o....3.V.. |
2c6a0 | 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b | <+r.5o....4.V..=+r.5o....5.V..>+ |
2c6c0 | 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed | r.5o....6.V..?+r.5o....7.V..@+r. |
2c6e0 | 35 6f 00 01 cd 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f | 5o....8.V..A+r.5o....9.V..B+r.5o |
2c700 | 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 | ....10.V..C+r.5o.....features./. |
2c720 | 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 | ...56ba0c342b72ed356f000000..... |
2c740 | 01 30 00 76 ac 42 ed 79 67 90 3f 00 00 02 73 6d 69 6c 65 73 00 25 00 00 00 43 6c 43 43 31 43 4e | .0.v.B.yg.?...smiles.%...ClCC1CN |
2c760 | 28 43 28 3d 4f 29 43 31 43 6c 29 63 31 63 63 63 63 28 63 31 29 43 28 46 29 28 46 29 46 00 09 75 | (C(=O)C1Cl)c1cccc(c1)C(F)(F)F..u |
2c780 | 70 64 61 74 65 64 5f 61 74 00 04 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 42 b1 | pdated_at.....R....created_at.B. |
2c7a0 | bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | ..R....default_fingerprint_size. |
2c7c0 | 11 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 32 48 31 30 43 6c | .....inchi.]...InChI=1S/C12H10Cl |
2c7e0 | 32 46 33 4e 4f 2f 63 31 33 2d 35 2d 37 2d 36 2d 31 38 28 31 31 28 31 39 29 31 30 28 37 29 31 34 | 2F3NO/c13-5-7-6-18(11(19)10(7)14 |
2c800 | 29 39 2d 33 2d 31 2d 32 2d 38 28 34 2d 39 29 31 32 28 31 35 2c 31 36 29 31 37 2f 68 31 2d 34 2c | )9-3-1-2-8(4-9)12(15,16)17/h1-4, |
2c820 | 37 2c 31 30 48 2c 35 2d 36 48 32 00 00 bb 02 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 | 7,10H,5-6H2......._id.V..5+r.5o. |
2c840 | 00 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 69 6e 74 73 00 ce | ...warnings.......fingerprints.. |
2c860 | 00 00 00 04 4d 50 32 44 00 c3 00 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 |
2c880 | 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 |
2c8a0 | 3b 32 2d 32 2d 31 3b 00 02 32 00 28 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 | ;2-2-1;..2.(...1;1-2-1;1-1-2;2-2 |
2c8c0 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 32 2d 33 32 3b 00 02 33 00 1b 00 00 00 31 3b | -1;2-1-2;2-1-8;2-2-32;..3.....1; |
2c8e0 | 31 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 34 00 15 00 00 00 | 1-2-1;1-1-8;2-3-1;2-1-2;..4..... |
2c900 | 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 0f 00 00 00 38 3b 31 2d | 1;1-2-1;2-2-1;2-1-8;..5.....8;1- |
2c920 | 32 2d 31 3b 32 2d 34 2d 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 | 2-1;2-4-1;....dataset_ids......0 |
2c940 | 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 | .V..4+r.5o....1.V..:+r.5o....2.V |
2c960 | ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c | ..;+r.5o....3.V..<+r.5o....4.V.. |
2c980 | 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b | =+r.5o....5.V..>+r.5o....6.V..?+ |
2c9a0 | 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed | r.5o....7.V..@+r.5o....8.V..A+r. |
2c9c0 | 35 6f 00 01 cf 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 | 5o....9.V..B+r.5o....10.V..C+r.5 |
2c9e0 | 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 | o.....features./....56ba0c342b72 |
2ca00 | 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 21 59 51 e6 89 c4 e3 3f 00 00 02 73 | ed356f000000......0.!YQ....?...s |
2ca20 | 6d 69 6c 65 73 00 1a 00 00 00 4f 43 28 3d 4f 29 43 31 43 32 43 43 43 28 43 31 43 28 3d 4f 29 4f | miles.....OC(=O)C1C2CCC(C1C(=O)O |
2ca40 | 29 4f 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 11 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 | )O2..updated_at.....R....created |
2ca60 | 5f 61 74 00 47 b1 bf c6 52 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...R....default_fingerprint |
2ca80 | 5f 73 69 7a 65 00 06 00 00 00 02 69 6e 63 68 69 00 52 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 | _size......inchi.R...InChI=1S/C8 |
2caa0 | 48 31 30 4f 35 2f 63 39 2d 37 28 31 30 29 35 2d 33 2d 31 2d 32 2d 34 28 31 33 2d 33 29 36 28 35 | H10O5/c9-7(10)5-3-1-2-4(13-3)6(5 |
2cac0 | 29 38 28 31 31 29 31 32 2f 68 33 2d 36 48 2c 31 2d 32 48 32 2c 28 48 2c 39 2c 31 30 29 28 48 2c | )8(11)12/h3-6H,1-2H2,(H,9,10)(H, |
2cae0 | 31 31 2c 31 32 29 00 00 fd 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 ce 04 77 61 | 11,12)......._id.V..5+r.5o....wa |
2cb00 | 72 6e 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 02 00 00 04 4d | rnings.......fingerprints......M |
2cb20 | 50 32 44 00 fb 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;.. |
2cb40 | 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 |
2cb60 | 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- |
2cb80 | 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; |
2cba0 | 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 |
2cbc0 | 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; |
2cbe0 | 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 36 00 15 00 00 00 | 1-1-8;2-1-2;2-2-3;2-1-8;..6..... |
2cc00 | 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 00 33 3b 31 2d | 3;1-2-3;2-2-3;2-1-8;..7.....3;1- |
2cc20 | 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 31 3b | 2-3;2-2-3;..8.....3;1-2-3;2-1-1; |
2cc40 | 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 31 2d | 2-2-3;..9.!...3;1-1-1;1-2-3;2-1- |
2cc60 | 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 30 00 21 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 1;2-2-3;2-1-8;..10.!...3;1-2-3;1 |
2cc80 | 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 31 00 1b 00 00 00 | -1-8;2-2-1;2-2-3;2-1-8;..11..... |
2cca0 | 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 31 32 00 15 | 8;1-1-1;1-1-3;2-3-1;2-2-3;..12.. |
2ccc0 | 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 33 00 21 00 00 00 | ...1;1-3-1;1-1-8;2-2-3;..13.!... |
2cce0 | 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 31 2d 38 3b | 1;1-1-1;1-1-3;2-2-1;2-2-3;2-1-8; |
2cd00 | 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 38 3b 00 00 00 | ..14.....1;1-1-1;2-2-1;2-1-8;... |
2cd20 | 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 | .dataset_ids......0.V..4+r.5o... |
2cd40 | 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 | .1.V..:+r.5o....2.V..;+r.5o....3 |
2cd60 | 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 | .V..<+r.5o....4.V..=+r.5o....5.V |
2cd80 | ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c | ..>+r.5o....6.V..?+r.5o....7.V.. |
2cda0 | 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b | @+r.5o....8.V..A+r.5o....9.V..B+ |
2cdc0 | 72 ed 35 6f 00 01 d1 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 | r.5o....10.V..C+r.5o.....feature |
2cde0 | 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 | s./....56ba0c342b72ed356f000000. |
2ce00 | 10 00 00 00 01 30 00 30 30 d8 0b 18 24 97 3f 00 00 02 73 6d 69 6c 65 73 00 1c 00 00 00 43 4e 43 | .....0.00...$.?...smiles.....CNC |
2ce20 | 28 3d 4f 29 4f 63 31 63 63 63 63 32 63 31 4f 43 28 43 32 29 28 43 29 43 00 09 75 70 64 61 74 65 | (=O)Oc1cccc2c1OC(C2)(C)C..update |
2ce40 | 64 5f 61 74 00 44 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 4d b1 bf c6 52 01 00 | d_at.D...R....created_at.M...R.. |
2ce60 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0f 00 00 00 02 | ..default_fingerprint_size...... |
2ce80 | 69 6e 63 68 69 00 5a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 35 4e 4f 33 2f 63 31 2d | inchi.Z...InChI=1S/C12H15NO3/c1- |
2cea0 | 31 32 28 32 29 37 2d 38 2d 35 2d 34 2d 36 2d 39 28 31 30 28 38 29 31 36 2d 31 32 29 31 35 2d 31 | 12(2)7-8-5-4-6-9(10(8)16-12)15-1 |
2cec0 | 31 28 31 34 29 31 33 2d 33 2f 68 34 2d 36 48 2c 37 48 32 2c 31 2d 33 48 33 2c 28 48 2c 31 33 2c | 1(14)13-3/h4-6H,7H2,1-3H3,(H,13, |
2cee0 | 31 34 29 00 00 3f 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 cf 04 77 61 72 6e 69 | 14)..?...._id.V..5+r.5o....warni |
2cf00 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 33 01 00 00 04 4d 50 32 44 | ngs.......fingerprints.3....MP2D |
2cf20 | 00 28 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 1c | .(....0.....15;1-1-3;2-2-3;..1.. |
2cf40 | 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;.. |
2cf60 | 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 00 02 33 00 1d | 2.....3;1-2-3;2-2-3;2-2-15;..3.. |
2cf80 | 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;. |
2cfa0 | 02 34 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 2d | .4.#...3;1-2-3;1-1-15;2-1-1;2-2- |
2cfc0 | 33 3b 32 2d 31 2d 31 35 3b 00 02 35 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 | 3;2-1-15;..5."...3;1-1-1;1-2-3;2 |
2cfe0 | 2d 33 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 35 3b 00 02 36 00 22 00 00 00 33 3b 31 2d 32 2d | -3-3;2-1-8;2-1-15;..6."...3;1-2- |
2d000 | 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 37 00 0f | 3;1-1-8;2-1-1;2-2-3;2-1-15;..7.. |
2d020 | 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 31 3b 31 2d 32 2d 33 | ...8;1-1-3;2-2-3;..8.....1;1-2-3 |
2d040 | 3b 32 2d 34 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba | ;2-4-3;....dataset_ids......0.V. |
2d060 | 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b | .4+r.5o....1.V..:+r.5o....2.V..; |
2d080 | 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 | +r.5o....3.V..<+r.5o....4.V..=+r |
2d0a0 | ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 | .5o....5.V..>+r.5o....6.V..?+r.5 |
2d0c0 | 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 | o....7.V..@+r.5o....8.V..A+r.5o. |
2d0e0 | 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 | ...9.V..B+r.5o....10.V..C+r.5o.. |
2d100 | d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 | ...features./....56ba0c342b72ed3 |
2d120 | 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 da e6 bc 50 69 2a 89 3f 00 00 02 73 6d 69 6c | 56f000000......0....Pi*.?...smil |
2d140 | 65 73 00 2c 00 00 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 | es.,...Clc1cc(Cl)c(c(c1O)Cc1c(O) |
2d160 | 63 28 43 6c 29 63 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 53 | c(Cl)cc(c1Cl)Cl)Cl..updated_at.S |
2d180 | ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 52 b1 bf c6 52 01 00 00 10 64 65 66 61 | ...R....created_at.R...R....defa |
2d1a0 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 09 00 00 00 02 69 6e 63 68 69 00 | ult_fingerprint_size......inchi. |
2d1c0 | 5f 00 00 00 49 6e 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 | _...InChI=1S/C13H6Cl6O2/c14-6-2- |
2d1e0 | 38 28 31 36 29 31 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 | 8(16)12(20)4(10(6)18)1-5-11(19)7 |
2d200 | 28 31 35 29 33 2d 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 | (15)3-9(17)13(5)21/h2-3,20-21H,1 |
2d220 | 48 32 00 00 e6 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 d0 04 77 61 72 6e 69 6e | H2......._id.V..5+r.5o....warnin |
2d240 | 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 00 | gs.......fingerprints......MP2D. |
2d260 | eb 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 38 3b | .....0.....9;1-1-2;2-1-1;2-1-28; |
2d280 | 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 34 | ..1."...2;1-1-1;1-1-9;1-1-28;2-4 |
2d2a0 | 2d 31 3b 32 2d 31 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 | -1;2-1-8;..2.(...28;1-1-1;1-1-2; |
2d2c0 | 31 2d 31 2d 38 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 | 1-1-8;2-2-1;2-1-3;2-1-9;..3..... |
2d2e0 | 38 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 34 00 22 | 8;1-1-1;1-1-28;2-2-1;2-1-2;..4." |
2d300 | 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 32 2d 31 | ...1;1-1-1;1-1-8;2-2-1;2-1-2;2-1 |
2d320 | 2d 32 38 3b 00 02 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 | -28;..5."...1;1-3-1;1-1-2;2-1-8; |
2d340 | 32 2d 31 2d 39 3b 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 | 2-1-9;2-1-28;..6.....1;1-1-1;2-2 |
2d360 | 2d 31 3b 32 2d 31 2d 32 3b 00 02 37 00 22 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 32 38 3b | -1;2-1-2;..7."...1;1-1-3;1-1-28; |
2d380 | 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 23 00 00 00 33 3b 31 2d 31 2d | 2-1-2;2-2-3;2-1-8;..8.#...3;1-1- |
2d3a0 | 31 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 39 00 | 1;1-2-3;2-2-3;2-1-15;2-1-28;..9. |
2d3c0 | 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.... |
2d3e0 | 00 33 3b 31 2d 32 2d 33 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;1-2-3;2-2-3;..11.....3;1-2-3; |
2d400 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 2-2-3;2-1-15;..12.....3;1-2-3;1- |
2d420 | 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 |
2d440 | 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 | -3;2-2-3;....dataset_ids......0. |
2d460 | 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba | V..4+r.5o....1.V..:+r.5o....2.V. |
2d480 | 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d | .;+r.5o....3.V..<+r.5o....4.V..= |
2d4a0 | 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 | +r.5o....5.V..>+r.5o....6.V..?+r |
2d4c0 | ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 | .5o....7.V..@+r.5o....8.V..A+r.5 |
2d4e0 | 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f | o....9.V..B+r.5o....10.V..C+r.5o |
2d500 | 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 | .....features./....56ba0c342b72e |
2d520 | 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 57 89 aa 29 54 f6 b6 3f 00 00 02 73 6d | d356f000000......0.W..)T..?...sm |
2d540 | 69 6c 65 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 | iles.....O=C1N(OCC1(C)C)Cc1ccccc |
2d560 | 31 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 66 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 | 1Cl..updated_at.f...R....created |
2d580 | 5f 61 74 00 58 b1 bf c6 52 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...R....default_fingerprint |
2d5a0 | 5f 73 69 7a 65 00 0e 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 | _size......inchi.T...InChI=1S/C1 |
2d5c0 | 32 48 31 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 | 2H14ClNO2/c1-12(2)8-16-14(11(12) |
2d5e0 | 31 35 29 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 | 15)7-9-5-3-4-6-10(9)13/h3-6H,7-8 |
2d600 | 48 32 2c 31 2d 32 48 33 00 00 10 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 d1 04 | H2,1-2H3......._id.V..5+r.5o.... |
2d620 | 77 61 72 6e 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 | warnings.......fingerprints..... |
2d640 | 04 4d 50 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 | .MP2D......0.....1;1-1-1;2-1-1;. |
2d660 | 02 31 00 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 | .1.....1;1-2-1;2-1-1;2-1-11;..2. |
2d680 | 1c 00 00 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 | ....1;1-2-1;1-1-11;2-1-1;2-2-3;. |
2d6a0 | 02 33 00 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 | .3.)...11;1-1-1;1-2-3;2-2-1;2-1- |
2d6c0 | 33 3b 32 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 | 3;2-2-9;2-1-11;..4.#...3;1-1-9;1 |
2d6e0 | 2d 32 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 35 00 10 00 00 | -2-11;2-1-1;2-2-3;2-1-13;..5.... |
2d700 | 00 39 3b 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 | .9;1-1-3;2-2-11;..6.*...11;1-2-3 |
2d720 | 3b 31 2d 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 | ;1-1-13;2-1-1;2-1-3;2-1-9;2-1-11 |
2d740 | 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 38 00 2a 00 00 | ;..7.....13;1-1-11;2-2-3;..8.*.. |
2d760 | 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 32 2d 31 2d | .3;1-1-1;1-1-3;1-1-11;2-2-3;2-1- |
2d780 | 31 33 3b 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 | 13;2-1-14;..9.#...3;1-2-3;1-1-14 |
2d7a0 | 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 29 00 00 00 33 3b 31 | ;2-1-1;2-1-9;2-2-11;..10.)...3;1 |
2d7c0 | 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 32 2d 33 3b 32 2d | -1-3;1-1-9;1-1-11;2-1-1;2-2-3;2- |
2d7e0 | 31 2d 31 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 | 1-14;..11.....9;1-1-3;2-1-3;2-1- |
2d800 | 31 31 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 02 31 33 00 | 11;..12.....14;1-1-3;2-2-3;..13. |
2d820 | 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 34 00 16 00 | ....1;1-1-3;2-1-3;2-1-11;..14... |
2d840 | 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 31 3b 00 00 00 04 64 61 74 61 73 | ..1;1-1-1;2-1-1;2-1-11;....datas |
2d860 | 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c | et_ids......0.V..4+r.5o....1.V.. |
2d880 | 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b | :+r.5o....2.V..;+r.5o....3.V..<+ |
2d8a0 | 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed | r.5o....4.V..=+r.5o....5.V..>+r. |
2d8c0 | 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f | 5o....6.V..?+r.5o....7.V..@+r.5o |
2d8e0 | 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 | ....8.V..A+r.5o....9.V..B+r.5o.. |
2d900 | d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 | ..10.V..C+r.5o.....features./... |
2d920 | 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 | .56ba0c342b72ed356f000000......0 |
2d940 | 00 d7 b6 57 0c 44 a3 ce 3f 00 00 02 73 6d 69 6c 65 73 00 1f 00 00 00 43 43 43 28 6e 31 63 28 3d | ...W.D..?...smiles.....CCC(n1c(= |
2d960 | 4f 29 5b 6e 48 5d 63 28 63 28 63 31 3d 4f 29 42 72 29 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 | O)[nH]c(c(c1=O)Br)C)C..updated_a |
2d980 | 74 00 68 e6 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 5d b1 bf c6 52 01 00 00 10 64 | t.h...R....created_at.]...R....d |
2d9a0 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0f 00 00 00 02 69 6e 63 | efault_fingerprint_size......inc |
2d9c0 | 68 69 00 52 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 33 42 72 4e 32 4f 32 2f 63 31 2d 34 | hi.R...InChI=1S/C9H13BrN2O2/c1-4 |
2d9e0 | 2d 35 28 32 29 31 32 2d 38 28 31 33 29 37 28 31 30 29 36 28 33 29 31 31 2d 39 28 31 32 29 31 34 | -5(2)12-8(13)7(10)6(3)11-9(12)14 |
2da00 | 2f 68 35 48 2c 34 48 32 2c 31 2d 33 48 33 2c 28 48 2c 31 31 2c 31 34 29 00 00 88 03 00 00 07 5f | /h5H,4H2,1-3H3,(H,11,14)......._ |
2da20 | 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 d2 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..5+r.5o....warnings.......f |
2da40 | 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 10 00 00 | ingerprints......MP2D......0.... |
2da60 | 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 2d 31 | .1;1-1-28;2-1-2;..1.....28;1-1-1 |
2da80 | 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 2d 31 | ;1-1-2;2-1-8;2-1-9;..2."...2;1-1 |
2daa0 | 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 00 | -8;1-1-9;1-1-28;2-1-1;2-1-3;..3. |
2dac0 | 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 00 00 | ....9;1-1-2;2-1-8;2-1-28;..4.".. |
2dae0 | 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 2d 31 2d 32 | .8;1-1-2;1-1-3;2-2-3;2-1-9;2-1-2 |
2db00 | 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 32 3b 32 2d | 8;..5.....3;1-2-3;1-1-8;2-1-2;2- |
2db20 | 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 32 2d 33 3b | 2-3;..6.....3;1-2-3;2-1-1;2-2-3; |
2db40 | 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 32 2d 32 2d | 2-1-8;..7.....3;1-1-1;1-2-3;2-2- |
2db60 | 33 3b 32 2d 31 2d 31 39 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;2-1-19;..8.....1;1-1-3;2-2-3;. |
2db80 | 02 39 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 34 2d 31 3b 32 2d 32 2d | .9.....3;1-2-3;1-1-19;2-4-1;2-2- |
2dba0 | 33 3b 00 02 31 30 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 | 3;..10.....19;1-2-1;1-1-3;2-2-3; |
2dbc0 | 00 02 31 31 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 00 | ..11.....1;1-1-19;2-1-1;2-1-3;.. |
2dbe0 | 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 | ..dataset_ids......0.V..4+r.5o.. |
2dc00 | 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 | ..1.V..:+r.5o....2.V..;+r.5o.... |
2dc20 | 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 | 3.V..<+r.5o....4.V..=+r.5o....5. |
2dc40 | 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 37 00 56 ba | V..>+r.5o....6.V..?+r.5o....7.V. |
2dc60 | 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 | .@+r.5o....8.V..A+r.5o....9.V..B |
2dc80 | 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 | +r.5o....10.V..C+r.5o.....featur |
2dca0 | 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 | es./....56ba0c342b72ed356f000000 |
2dcc0 | 00 10 00 00 00 01 30 00 9b 7b 15 a9 ef a3 7b 3f 00 00 02 73 6d 69 6c 65 73 00 1e 00 00 00 43 4e | ......0..{....{?...smiles.....CN |
2dce0 | 43 28 3d 4f 29 4f 63 31 63 63 28 43 29 63 28 63 28 63 31 29 43 29 4e 28 43 29 43 00 09 75 70 64 | C(=O)Oc1cc(C)c(c(c1)C)N(C)C..upd |
2dd00 | 61 74 65 64 5f 61 74 00 b7 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 62 b1 bf c6 | ated_at.....R....created_at.b... |
2dd20 | 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0c 00 | R....default_fingerprint_size... |
2dd40 | 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 38 4e 32 4f 32 | ...inchi.T...InChI=1S/C12H18N2O2 |
2dd60 | 2f 63 31 2d 38 2d 36 2d 31 30 28 31 36 2d 31 32 28 31 35 29 31 33 2d 33 29 37 2d 39 28 32 29 31 | /c1-8-6-10(16-12(15)13-3)7-9(2)1 |
2dd80 | 31 28 38 29 31 34 28 34 29 35 2f 68 36 2d 37 48 2c 31 2d 35 48 33 2c 28 48 2c 31 33 2c 31 35 29 | 1(8)14(4)5/h6-7H,1-5H3,(H,13,15) |
2dda0 | 00 00 e3 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 d3 04 77 61 72 6e 69 6e 67 73 | ......._id.V..5+r.5o....warnings |
2ddc0 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 f2 01 00 00 04 4d 50 32 44 00 e7 01 | .......fingerprints......MP2D... |
2dde0 | 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 1c 00 00 00 | ...0.....1;1-1-28;2-1-2;..1..... |
2de00 | 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 02 32 00 22 | 28;1-1-1;1-1-2;2-1-8;2-1-9;..2." |
2de20 | 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 2d | ...2;1-1-8;1-1-9;1-1-28;2-1-1;2- |
2de40 | 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 38 | 1-3;..3.....9;1-1-2;2-1-8;2-1-28 |
2de60 | 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 3b 32 2d 31 | ;..4."...8;1-1-2;1-1-3;2-2-3;2-1 |
2de80 | 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 31 2d 38 3b | -9;2-1-28;..5.....3;1-2-3;1-1-8; |
2dea0 | 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- |
2dec0 | 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 2d 33 3b 00 02 | 3;2-1-8;..7.....3;1-2-3;2-2-3;.. |
2dee0 | 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 1b 00 | 8.....3;1-2-3;2-2-3;2-1-6;..9... |
2df00 | 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 33 3b 00 02 31 30 | ..3;1-2-3;1-1-6;2-1-2;2-2-3;..10 |
2df20 | 00 1b 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 38 3b 00 | .....3;1-2-3;2-2-3;2-1-6;2-1-8;. |
2df40 | 02 31 31 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 | .11.....6;1-1-2;1-1-3;2-2-3;2-1- |
2df60 | 31 39 3b 00 02 31 32 00 1c 00 00 00 32 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 | 19;..12.....2;1-1-6;1-1-19;2-2-1 |
2df80 | 3b 32 2d 31 2d 33 3b 00 02 31 33 00 16 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 | ;2-1-3;..13.....19;1-2-1;1-1-2;2 |
2dfa0 | 2d 31 2d 36 3b 00 02 31 34 00 16 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 | -1-6;..14.....1;1-1-19;2-1-1;2-1 |
2dfc0 | 2d 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 | -2;....dataset_ids......0.V..4+r |
2dfe0 | ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 | .5o....1.V..:+r.5o....2.V..;+r.5 |
2e000 | 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 | o....3.V..<+r.5o....4.V..=+r.5o. |
2e020 | 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc | ...5.V..>+r.5o....6.V..?+r.5o... |
2e040 | 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 | .7.V..@+r.5o....8.V..A+r.5o....9 |
2e060 | 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 | .V..B+r.5o....10.V..C+r.5o.....f |
2e080 | 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 | eatures./....56ba0c342b72ed356f0 |
2e0a0 | 30 30 30 30 30 00 10 00 00 00 01 30 00 21 bd 97 c8 01 ed ac 3f 00 00 02 73 6d 69 6c 65 73 00 1b | 00000......0.!......?...smiles.. |
2e0c0 | 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 43 00 09 75 | ...CNC(=O)Oc1cccc(c1)N=CN(C)C..u |
2e0e0 | 70 64 61 74 65 64 5f 61 74 00 52 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 68 b1 | pdated_at.R...R....created_at.h. |
2e100 | bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | ..R....default_fingerprint_size. |
2e120 | 0f 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 31 35 4e 33 | .....inchi.U...InChI=1S/C11H15N3 |
2e140 | 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 28 37 2d 31 | O2/c1-12-11(15)16-10-6-4-5-9(7-1 |
2e160 | 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 2c 31 32 2c | 0)13-8-14(2)3/h4-8H,1-3H3,(H,12, |
2e180 | 31 35 29 00 00 03 05 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 d4 04 77 61 72 6e 69 | 15)......._id.V..5+r.5o....warni |
2e1a0 | 6e 67 73 00 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 | ngs.......fingerprints......MP2D |
2e1c0 | 00 db 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 1d | ......0.....15;1-1-3;2-2-3;..1.. |
2e1e0 | 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 31 3b 00 | ...3;1-2-3;1-1-15;2-2-3;2-1-11;. |
2e200 | 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 00 02 33 00 | .2.....3;1-2-3;2-2-3;2-2-15;..3. |
2e220 | 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 39 3b | ....3;1-2-3;1-1-15;2-2-3;2-1-19; |
2e240 | 00 02 34 00 24 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 | ..4.$...3;1-2-3;1-1-19;2-2-3;2-1 |
2e260 | 2d 31 35 3b 32 2d 31 2d 33 30 3b 00 02 35 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -15;2-1-30;..5.....3;1-2-3;2-2-3 |
2e280 | 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 36 00 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | ;2-1-11;2-1-19;..6.$...3;1-2-3;1 |
2e2a0 | 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 35 3b 00 02 37 00 24 00 | -1-11;2-3-3;2-1-11;2-1-15;..7.$. |
2e2c0 | 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 31 2d 39 3b 32 2d | ..11;1-2-3;1-1-11;2-3-3;2-1-9;2- |
2e2e0 | 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 2d 31 | 1-11;..8.$...11;1-1-3;1-1-11;2-1 |
2e300 | 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 39 00 23 00 00 00 33 3b 31 2d 31 2d 31 3b | -1;2-2-3;2-1-11;..9.#...3;1-1-1; |
2e320 | 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 30 00 2a | 1-2-11;2-1-1;2-1-3;2-1-11;..10.* |
2e340 | 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 31 2d 39 3b 32 2d | ...11;1-1-1;1-2-3;2-1-1;2-1-9;2- |
2e360 | 32 2d 31 31 3b 32 2d 32 2d 31 36 3b 00 02 31 31 00 23 00 00 00 33 3b 31 2d 31 2d 39 3b 31 2d 32 | 2-11;2-2-16;..11.#...3;1-1-9;1-2 |
2e380 | 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 32 00 10 00 00 00 | -11;2-1-1;2-2-3;2-1-11;..12..... |
2e3a0 | 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 33 00 17 00 00 00 31 3b 31 2d 31 2d 31 31 | 9;1-1-3;2-2-11;..13.....1;1-1-11 |
2e3c0 | 3b 31 2d 32 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 31 34 00 18 00 00 00 31 36 3b 31 2d 31 2d 31 3b | ;1-2-16;2-2-3;..14.....16;1-1-1; |
2e3e0 | 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 36 3b 00 02 31 35 00 10 00 00 00 31 3b 31 2d 31 2d 33 3b 32 | 2-1-11;2-1-16;..15.....1;1-1-3;2 |
2e400 | 2d 32 2d 31 31 3b 00 02 31 36 00 23 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 33 30 3b 32 | -2-11;..16.#...19;1-1-3;1-1-30;2 |
2e420 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 37 00 1d 00 00 00 33 30 3b 31 2d 31 | -1-1;2-2-3;2-2-9;..17.....30;1-1 |
2e440 | 2d 31 3b 31 2d 32 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 00 02 31 38 00 1d 00 00 00 39 | -1;1-2-9;1-1-19;2-1-3;..18.....9 |
2e460 | 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 39 00 | ;1-1-30;2-1-1;2-1-9;2-1-19;..19. |
2e480 | 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 04 64 61 | ....1;1-1-30;2-2-9;2-1-19;....da |
2e4a0 | 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 | taset_ids......0.V..4+r.5o....1. |
2e4c0 | 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba | V..:+r.5o....2.V..;+r.5o....3.V. |
2e4e0 | 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e | .;+r.5o....4.V..=+r.5o....5.V..> |
2e500 | 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 | +r.5o....6.V..?+r.5o....7.V..@+r |
2e520 | ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 | .5o....8.V..A+r.5o....9.V..B+r.5 |
2e540 | 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f | o....10.V..C+r.5o.....features./ |
2e560 | 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 | ....56ba0c342b72ed356f000000.... |
2e580 | 00 01 30 00 c4 2a ca fb 3a 26 c6 3f 00 00 02 73 6d 69 6c 65 73 00 2f 00 00 00 43 6c 63 31 63 63 | ..0..*..:&.?...smiles./...Clc1cc |
2e5a0 | 28 43 6c 29 63 28 63 63 31 6e 31 6e 63 28 6e 28 63 31 3d 4f 29 43 28 46 29 46 29 43 29 4e 53 28 | (Cl)c(cc1n1nc(n(c1=O)C(F)F)C)NS( |
2e5c0 | 3d 4f 29 28 3d 4f 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 0c e9 bf c6 52 01 00 00 09 63 72 | =O)(=O)C..updated_at.....R....cr |
2e5e0 | 65 61 74 65 64 5f 61 74 00 6e b1 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at.n...R....default_finger |
2e600 | 70 72 69 6e 74 5f 73 69 7a 65 00 14 00 00 00 02 69 6e 63 68 69 00 6d 00 00 00 49 6e 43 68 49 3d | print_size......inchi.m...InChI= |
2e620 | 31 53 2f 43 31 31 48 31 30 43 6c 32 46 32 4e 34 4f 33 53 2f 63 31 2d 35 2d 31 36 2d 31 39 28 31 | 1S/C11H10Cl2F2N4O3S/c1-5-16-19(1 |
2e640 | 31 28 32 30 29 31 38 28 35 29 31 30 28 31 34 29 31 35 29 39 2d 34 2d 38 28 31 37 2d 32 33 28 32 | 1(20)18(5)10(14)15)9-4-8(17-23(2 |
2e660 | 2c 32 31 29 32 32 29 36 28 31 32 29 33 2d 37 28 39 29 31 33 2f 68 33 2d 34 2c 31 30 2c 31 37 48 | ,21)22)6(12)3-7(9)13/h3-4,10,17H |
2e680 | 2c 31 2d 32 48 33 00 00 57 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 d5 04 77 61 | ,1-2H3..W...._id.V..5+r.5o....wa |
2e6a0 | 72 6e 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 | rnings.......fingerprints.:....M |
2e6c0 | 50 32 44 00 2f 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 | P2D./....0.....15;1-1-1;2-1-1;.. |
2e6e0 | 31 00 1e 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d | 1.....1;1-1-1;1-1-15;2-1-10;2-1- |
2e700 | 32 38 3b 00 02 32 00 2b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 31 2d 31 2d 32 38 | 28;..2.+...1;1-1-1;1-1-10;1-1-28 |
2e720 | 3b 32 2d 32 2d 32 3b 32 2d 31 2d 31 32 3b 32 2d 31 2d 31 35 3b 00 02 33 00 29 00 00 00 32 38 3b | ;2-2-2;2-1-12;2-1-15;..3.)...28; |
2e740 | 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 32 2d | 1-1-1;1-2-2;2-1-1;2-2-3;2-2-9;2- |
2e760 | 31 2d 31 30 3b 00 02 34 00 28 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 | 1-10;..4.(...2;1-1-3;1-1-9;1-1-2 |
2e780 | 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 35 00 16 00 00 00 39 3b 31 2d | 8;2-1-1;2-1-2;2-2-3;..5.....9;1- |
2e7a0 | 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 36 00 28 00 00 00 33 3b 31 2d 31 2d 32 | 1-2;2-1-3;2-1-28;..6.(...3;1-1-2 |
2e7c0 | 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 31 2d 32 38 3b | ;1-2-3;2-1-2;2-2-3;2-1-9;2-1-28; |
2e7e0 | 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 38 00 | ..7.....3;1-2-3;2-1-2;2-2-3;..8. |
2e800 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 39 00 2b 00 00 00 31 30 3b 31 2d 31 | ....3;1-2-3;2-2-3;..9.+...10;1-1 |
2e820 | 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 2d 31 | -1;1-1-12;2-1-1;2-2-8;2-1-18;2-1 |
2e840 | 2d 32 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 31 | -28;..10.....12;1-2-8;1-1-10;1-1 |
2e860 | 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 32 | -18;2-3-1;..11.....18;1-1-12;2-2 |
2e880 | 2d 38 3b 32 2d 31 2d 31 30 3b 00 02 31 32 00 2a 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 | -8;2-1-10;..12.*...8;1-1-1;1-1-1 |
2e8a0 | 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 31 33 | 2;2-1-1;2-1-8;2-1-10;2-1-18;..13 |
2e8c0 | 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 34 00 0f | .....1;1-1-1;1-1-8;2-1-12;..14.. |
2e8e0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 | ...1;1-1-1;2-1-8;....dataset_ids |
2e900 | 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f | ......0.V..4+r.5o....1.V..:+r.5o |
2e920 | 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 | ....2.V..;+r.5o....3.V..<+r.5o.. |
2e940 | c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 | ..4.V..=+r.5o....5.V..>+r.5o.... |
2e960 | 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 | 6.V..?+r.5o....7.V..@+r.5o....8. |
2e980 | 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 | V..A+r.5o....9.V..B+r.5o....10.V |
2e9a0 | ba 0c 43 2b 72 ed 35 6f 00 01 d3 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 | ..C+r.5o.....features./....56ba0 |
2e9c0 | 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 b1 6c 9a 5b 01 | c342b72ed356f000000......0..l.[. |
2e9e0 | 00 7a 3f 00 00 02 73 6d 69 6c 65 73 00 2a 00 00 00 43 6c 43 43 28 4e 31 43 28 3d 4f 29 63 32 63 | .z?...smiles.*...ClCC(N1C(=O)c2c |
2ea00 | 28 43 31 3d 4f 29 63 63 63 63 32 29 53 50 28 3d 53 29 28 4f 43 43 29 4f 43 43 00 09 75 70 64 61 | (C1=O)cccc2)SP(=S)(OCC)OCC..upda |
2ea20 | 74 65 64 5f 61 74 00 8a e6 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 77 b1 bf c6 52 | ted_at.....R....created_at.w...R |
2ea40 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0f 00 00 | ....default_fingerprint_size.... |
2ea60 | 00 02 69 6e 63 68 69 00 72 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 37 43 6c 4e 4f 34 | ..inchi.r...InChI=1S/C14H17ClNO4 |
2ea80 | 50 53 32 2f 63 31 2d 33 2d 31 39 2d 32 31 28 32 32 2c 32 30 2d 34 2d 32 29 32 33 2d 31 32 28 39 | PS2/c1-3-19-21(22,20-4-2)23-12(9 |
2eaa0 | 2d 31 35 29 31 36 2d 31 33 28 31 37 29 31 30 2d 37 2d 35 2d 36 2d 38 2d 31 31 28 31 30 29 31 34 | -15)16-13(17)10-7-5-6-8-11(10)14 |
2eac0 | 28 31 36 29 31 38 2f 68 35 2d 38 2c 31 32 48 2c 33 2d 34 2c 39 48 32 2c 31 2d 32 48 33 00 00 7d | (16)18/h5-8,12H,3-4,9H2,1-2H3..} |
2eae0 | 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 d6 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..5+r.5o....warnings... |
2eb00 | 00 00 00 03 66 69 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 | ....fingerprints......MP2D...... |
2eb20 | 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 31 00 | 0.....16;1-1-1;2-1-3;2-2-16;..1. |
2eb40 | 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 00 1c 00 00 | ....1;1-1-3;1-3-16;2-2-3;..2.... |
2eb60 | 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 33 00 | .3;1-1-1;1-2-3;2-2-3;2-3-16;..3. |
2eb80 | 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 15 00 00 00 | ....3;1-2-3;2-1-1;2-2-3;..4..... |
2eba0 | 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- |
2ebc0 | 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 1b 00 00 00 32 3b | 1-2;1-2-3;2-1-2;2-2-3;..6.....2; |
2ebe0 | 31 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 37 00 1b 00 00 00 | 1-1-2;1-1-3;2-1-2;2-2-3;..7..... |
2ec00 | 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 00 02 38 00 1b 00 | 2;1-2-2;2-1-2;2-1-3;2-1-6;..8... |
2ec20 | 00 00 32 3b 31 2d 32 2d 32 3b 31 2d 31 2d 36 3b 32 2d 32 2d 32 3b 32 2d 31 2d 36 3b 00 02 39 00 | ..2;1-2-2;1-1-6;2-2-2;2-1-6;..9. |
2ec40 | 1c 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 36 3b 32 2d 32 2d 32 3b 32 2d 31 2d 33 33 3b 00 | ....6;1-1-2;1-1-6;2-2-2;2-1-33;. |
2ec60 | 02 31 30 00 1d 00 00 00 36 3b 31 2d 31 2d 36 3b 31 2d 31 2d 33 33 3b 32 2d 31 2d 32 3b 32 2d 32 | .10.....6;1-1-6;1-1-33;2-1-2;2-2 |
2ec80 | 2d 31 39 3b 00 02 31 31 00 1d 00 00 00 33 33 3b 31 2d 31 2d 36 3b 31 2d 32 2d 31 39 3b 32 2d 32 | -19;..11.....33;1-1-6;1-2-19;2-2 |
2eca0 | 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 32 00 24 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 | -1;2-1-6;..12.$...19;1-1-1;1-1-3 |
2ecc0 | 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 1d 00 00 00 31 3b | 3;2-1-1;2-1-6;2-1-19;..13.....1; |
2ece0 | 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d 33 2d 31 3b 32 2d 31 2d 33 33 3b 00 02 31 34 00 10 | 1-1-1;1-1-19;2-3-1;2-1-33;..14.. |
2ed00 | 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 32 2d 31 39 3b 00 02 31 35 00 0f 00 00 00 31 3b 31 2d 31 | ...1;1-4-1;2-2-19;..15.....1;1-1 |
2ed20 | 2d 31 3b 32 2d 33 2d 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 | -1;2-3-1;....dataset_ids......0. |
2ed40 | 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba | V..4+r.5o....1.V..9+r.5o....2.V. |
2ed60 | 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d | .;+r.5o....3.V..<+r.5o....4.V..= |
2ed80 | 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 | +r.5o....5.V..>+r.5o....6.V..?+r |
2eda0 | ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 | .5o....7.V..@+r.5o....8.V..A+r.5 |
2edc0 | 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f | o....9.V..B+r.5o....10.V..C+r.5o |
2ede0 | 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 | .....features./....56ba0c342b72e |
2ee00 | 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 d5 53 e7 48 75 b5 84 3f 00 00 02 73 6d | d356f000000......0..S.Hu..?...sm |
2ee20 | 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 4e 3d 43 | iles.@...FC(c1ccc(cc1)C=CC(=NN=C |
2ee40 | 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 46 29 28 | 1NCC(CN1)(C)C)C=Cc1ccc(cc1)C(F)( |
2ee60 | 46 29 46 29 28 46 29 46 00 09 75 70 64 61 74 65 64 5f 61 74 00 51 e8 bf c6 52 01 00 00 09 63 72 | F)F)(F)F..updated_at.Q...R....cr |
2ee80 | 65 61 74 65 64 5f 61 74 00 7e b1 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at.~...R....default_finger |
2eea0 | 70 72 69 6e 74 5f 73 69 7a 65 00 10 00 00 00 02 69 6e 63 68 69 00 a1 00 00 00 49 6e 43 68 49 3d | print_size......inchi.....InChI= |
2eec0 | 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 32 28 33 | 1S/C25H24F6N4/c1-23(2)15-32-22(3 |
2eee0 | 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 31 39 28 | 3-16-23)35-34-21(13-7-17-3-9-19( |
2ef00 | 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 2d 31 31 | 10-4-17)24(26,27)28)14-8-18-5-11 |
2ef20 | 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 48 2c 31 | -20(12-6-18)25(29,30)31/h3-14H,1 |
2ef40 | 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 a0 04 00 00 | 5-16H2,1-2H3,(H2,32,33,35)...... |
2ef60 | 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 d7 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V..5+r.5o....warnings...... |
2ef80 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 71 02 00 00 04 4d 50 32 44 00 66 02 00 00 02 30 00 15 | .fingerprints.q....MP2D.f....0.. |
2efa0 | 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 |
2efc0 | 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 00 | ;1-1-1;1-1-8;1-1-9;2-3-1;..2.'.. |
2efe0 | 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 38 | .1;1-2-1;1-1-2;2-4-1;2-1-2;2-1-8 |
2f000 | 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 34 | ;2-1-9;..3.....1;1-2-1;1-1-2;2-4 |
2f020 | 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 32 | -1;2-2-2;..4.....1;1-4-1;2-2-1;2 |
2f040 | 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 1c | -2-2;..5.....1;1-1-1;2-3-1;..6.. |
2f060 | 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 31 35 3b 00 02 | ...2;1-1-1;1-1-2;2-3-1;2-1-15;.. |
2f080 | 37 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 31 2d 31 | 7.#...2;1-1-1;1-1-2;1-1-15;2-1-1 |
2f0a0 | 3b 32 2d 33 2d 31 36 3b 00 02 38 00 1d 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 33 2d 31 36 3b 32 | ;2-3-16;..8.....1;1-1-2;1-3-16;2 |
2f0c0 | 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 39 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 | -1-2;2-1-15;..9.....16;1-1-1;2-1 |
2f0e0 | 2d 32 3b 32 2d 32 2d 31 36 3b 00 02 31 30 00 16 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d | -2;2-2-16;..10.....15;1-1-2;2-1- |
2f100 | 31 3b 32 2d 31 2d 32 3b 00 02 31 31 00 21 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 | 1;2-1-2;..11.!...8;1-1-1;1-1-2;2 |
2f120 | 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 32 00 1b 00 00 00 31 3b 31 2d 31 2d | -1-1;2-1-3;2-1-9;..12.....1;1-1- |
2f140 | 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 22 00 00 00 33 3b 31 | 3;1-1-8;2-1-2;2-2-3;..13."...3;1 |
2f160 | 2d 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 36 3b 00 02 | -1-1;1-2-3;2-2-3;2-1-8;2-2-16;.. |
2f180 | 31 34 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 32 2d | 14.#...3;1-2-3;1-1-16;2-1-1;2-2- |
2f1a0 | 33 3b 32 2d 31 2d 31 36 3b 00 02 31 35 00 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | 3;2-1-16;..15.....16;1-1-3;2-2-3 |
2f1c0 | 3b 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 | ;..16.....3;1-1-1;1-2-3;2-2-3;2- |
2f1e0 | 32 2d 31 36 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 00 00 04 | 2-16;..17.....1;1-1-3;2-2-3;.... |
2f200 | 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 | dataset_ids......0.V..4+r.5o.... |
2f220 | 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 | 1.V..:+r.5o....2.V..:+r.5o....3. |
2f240 | 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba | V..<+r.5o....4.V..=+r.5o....5.V. |
2f260 | 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 | .>+r.5o....6.V..?+r.5o....7.V..@ |
2f280 | 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 | +r.5o....8.V..A+r.5o....9.V..B+r |
2f2a0 | ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 | .5o....10.V..C+r.5o.....features |
2f2c0 | 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 | ./....56ba0c342b72ed356f000000.. |
2f2e0 | 00 00 00 01 30 00 a6 74 e4 38 91 7f 86 3f 00 00 02 73 6d 69 6c 65 73 00 37 00 00 00 4f 3d 43 28 | ....0..t.8...?...smiles.7...O=C( |
2f300 | 43 31 43 28 43 31 28 43 29 43 29 43 3d 43 28 43 28 46 29 28 46 29 46 29 43 6c 29 4f 43 63 31 63 | C1C(C1(C)C)C=C(C(F)(F)F)Cl)OCc1c |
2f320 | 28 46 29 63 28 46 29 63 28 63 28 63 31 46 29 46 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 cf | (F)c(F)c(c(c1F)F)C..updated_at.. |
2f340 | e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 84 b1 bf c6 52 01 00 00 10 64 65 66 61 | ...R....created_at.....R....defa |
2f360 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 12 00 00 00 02 69 6e 63 68 69 00 | ult_fingerprint_size......inchi. |
2f380 | 77 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 37 48 31 34 43 6c 46 37 4f 32 2f 63 31 2d 36 2d 31 | w...InChI=1S/C17H14ClF7O2/c1-6-1 |
2f3a0 | 31 28 31 39 29 31 33 28 32 31 29 37 28 31 34 28 32 32 29 31 32 28 36 29 32 30 29 35 2d 32 37 2d | 1(19)13(21)7(14(22)12(6)20)5-27- |
2f3c0 | 31 35 28 32 36 29 31 30 2d 38 28 31 36 28 31 30 2c 32 29 33 29 34 2d 39 28 31 38 29 31 37 28 32 | 15(26)10-8(16(10,2)3)4-9(18)17(2 |
2f3e0 | 33 2c 32 34 29 32 35 2f 68 34 2c 38 2c 31 30 48 2c 35 48 32 2c 31 2d 33 48 33 00 00 8f 03 00 00 | 3,24)25/h4,8,10H,5H2,1-3H3...... |
2f400 | 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 d8 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V..5+r.5o....warnings...... |
2f420 | 03 66 69 6e 67 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 10 | .fingerprints.a....MP2D.V....0.. |
2f440 | 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 32 3b 00 02 31 00 16 00 00 00 31 39 3b 31 2d 31 | ...1;1-1-19;2-2-2;..1.....19;1-1 |
2f460 | 2d 31 3b 31 2d 32 2d 32 3b 32 2d 32 2d 36 3b 00 02 32 00 22 00 00 00 32 3b 31 2d 31 2d 36 3b 31 | -1;1-2-2;2-2-6;..2."...2;1-1-6;1 |
2f480 | 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 33 00 1c 00 00 00 | -1-19;2-1-1;2-1-2;2-1-3;..3..... |
2f4a0 | 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 3b 00 02 34 00 21 | 6;1-1-2;1-1-3;2-2-3;2-1-19;..4.! |
2f4c0 | 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 31 2d 32 3b 32 2d 32 | ...3;1-2-3;1-1-6;2-1-1;2-1-2;2-2 |
2f4e0 | 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 36 3b 00 | -3;..5.....3;1-2-3;2-2-3;2-1-6;. |
2f500 | 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 15 | .6.....3;1-2-3;2-1-1;2-2-3;..7.. |
2f520 | 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 38 00 15 00 00 00 33 | ...3;1-1-1;1-2-3;2-2-3;..8.....3 |
2f540 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 1b 00 00 00 33 3b 31 2d 31 | ;1-2-3;2-2-1;2-2-3;..9.....3;1-1 |
2f560 | 2d 31 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 00 00 00 31 3b | -1;1-2-3;2-2-3;2-1-6;..10.....1; |
2f580 | 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 | 1-1-3;2-2-3;....dataset_ids..... |
2f5a0 | 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 | .0.V..4+r.5o....1.V..:+r.5o....2 |
2f5c0 | 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 | .V..;+r.5o....3.V..;+r.5o....4.V |
2f5e0 | ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c | ..<+r.5o....5.V..=+r.5o....6.V.. |
2f600 | 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 38 00 56 ba 0c 40 2b | >+r.5o....7.V..?+r.5o....8.V..@+ |
2f620 | 72 ed 35 6f 00 01 cd 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c 41 2b 72 | r.5o....9.V..@+r.5o....10.V..A+r |
2f640 | ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 | .5o....11.V..B+r.5o....12.V..C+r |
2f660 | ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 | .5o.....features.:....56ba0c342b |
2f680 | 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 e3 9c d1 0f 9a cc a1 3f 01 31 | 72ed356f000000......0........?.1 |
2f6a0 | 00 11 db 27 b5 41 73 a1 3f 00 00 02 73 6d 69 6c 65 73 00 23 00 00 00 43 4e 28 43 3d 4e 63 31 63 | ...'.As.?...smiles.#...CN(C=Nc1c |
2f6c0 | 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 00 09 75 70 64 61 74 | cc(cc1C)C)C=Nc1ccc(cc1C)C..updat |
2f6e0 | 65 64 5f 61 74 00 fa e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 8a b1 bf c6 52 01 | ed_at.....R....created_at.....R. |
2f700 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0b 00 00 00 | ...default_fingerprint_size..... |
2f720 | 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 33 4e 33 2f 63 31 2d | .inchi._...InChI=1S/C19H23N3/c1- |
2f740 | 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 32 2d 32 32 28 35 29 | 14-6-8-18(16(3)10-14)20-12-22(5) |
2f760 | 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 39 29 34 2f 68 36 2d | 13-21-19-9-7-15(2)11-17(19)4/h6- |
2f780 | 31 33 48 2c 31 2d 35 48 33 00 00 86 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 d9 | 13H,1-5H3......._id.V..5+r.5o... |
2f7a0 | 04 77 61 72 6e 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 01 00 | .warnings.......fingerprints.... |
2f7c0 | 00 04 4d 50 32 44 00 8a 01 00 00 02 30 00 16 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; |
2f7e0 | 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 31 2d 32 38 3b 32 2d | 2-1-28;..1.....1;1-2-1;1-1-28;2- |
2f800 | 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 31 2d 32 | 1-1;2-1-2;..2.#...28;1-2-1;1-1-2 |
2f820 | 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 00 00 00 32 3b 31 2d | ;2-4-1;2-1-9;2-1-10;..3.....2;1- |
2f840 | 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 00 00 00 | 1-9;1-1-10;1-1-28;2-3-1;..4..... |
2f860 | 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 00 31 30 | 9;1-1-2;2-1-10;2-1-28;..5.#...10 |
2f880 | 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 32 2d 31 2d 32 38 3b | ;1-1-1;1-1-2;2-1-2;2-1-9;2-1-28; |
2f8a0 | 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 32 2d 32 3b 32 2d 31 | ..6.....1;1-1-2;1-1-10;2-2-2;2-1 |
2f8c0 | 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 3b 31 2d 31 2d 31 35 | -15;..7.$...2;1-1-1;1-1-2;1-1-15 |
2f8e0 | 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 31 2d 31 2d 32 3b 31 | ;2-1-10;2-2-15;..8.....2;1-1-2;1 |
2f900 | 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 00 00 31 35 3b 31 2d | -2-15;2-1-1;2-1-15;..9.....15;1- |
2f920 | 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 31 30 00 16 00 00 00 31 35 3b 31 2d 31 | 1-2;2-1-2;2-1-15;..10.....15;1-1 |
2f940 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab | -2;2-1-1;2-1-2;....dataset_ids.. |
2f960 | 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 | ....0.V..4+r.5o....1.V..:+r.5o.. |
2f980 | c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 | ..2.V..;+r.5o....3.V..<+r.5o.... |
2f9a0 | 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 | 4.V..=+r.5o....5.V..>+r.5o....6. |
2f9c0 | 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba | V..?+r.5o....7.V..@+r.5o....8.V. |
2f9e0 | 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c | .A+r.5o....9.V..B+r.5o....10.V.. |
2fa00 | 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 | C+r.5o.....features./....56ba0c3 |
2fa20 | 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 c5 ad b6 a1 b9 01 a5 | 42b72ed356f000000......0........ |
2fa40 | 3f 00 00 02 73 6d 69 6c 65 73 00 22 00 00 00 43 43 28 4e 28 43 28 3d 4f 29 53 43 43 28 3d 43 28 | ?...smiles."...CC(N(C(=O)SCC(=C( |
2fa60 | 43 6c 29 43 6c 29 43 6c 29 43 28 43 29 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 a0 e9 bf | Cl)Cl)Cl)C(C)C)C..updated_at.... |
2fa80 | c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 92 b1 bf c6 52 01 00 00 10 64 65 66 61 75 6c | .R....created_at.....R....defaul |
2faa0 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0b 00 00 00 02 69 6e 63 68 69 00 4e 00 | t_fingerprint_size......inchi.N. |
2fac0 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 36 43 6c 33 4e 4f 53 2f 63 31 2d 36 28 32 29 31 | ..InChI=1S/C10H16Cl3NOS/c1-6(2)1 |
2fae0 | 34 28 37 28 33 29 34 29 31 30 28 31 35 29 31 36 2d 35 2d 38 28 31 31 29 39 28 31 32 29 31 33 2f | 4(7(3)4)10(15)16-5-8(11)9(12)13/ |
2fb00 | 68 36 2d 37 48 2c 35 48 32 2c 31 2d 34 48 33 00 00 7f 05 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 | h6-7H,5H2,1-4H3......._id.V..5+r |
2fb20 | ed 35 6f 00 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 | .5o....warnings.......fingerprin |
2fb40 | 74 73 00 3b 03 00 00 04 4d 50 32 44 00 30 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b | ts.;....MP2D.0....0.....1;1-1-8; |
2fb60 | 32 2d 31 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 | 2-1-3;..1.....8;1-1-1;1-1-3;2-2- |
2fb80 | 31 31 3b 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 | 11;..2.....3;1-1-8;1-2-11;2-1-1; |
2fba0 | 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 38 3b 32 2d 32 | 2-2-3;..3.....11;1-2-3;2-1-8;2-2 |
2fbc0 | 2d 31 31 3b 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 | -11;2-1-28;..4.....3;1-2-11;1-1- |
2fbe0 | 32 38 3b 32 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 | 28;2-1-2;2-2-3;..5.....11;1-2-3; |
2fc00 | 32 2d 31 2d 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 | 2-1-1;2-2-11;2-1-28;..6.....3;1- |
2fc20 | 31 2d 31 3b 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 | 1-1;1-2-11;2-2-3;..7.....11;1-2- |
2fc40 | 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 10 00 00 00 31 3b 31 | 3;2-1-1;2-1-8;2-2-11;..8.....1;1 |
2fc60 | 2d 31 2d 33 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 | -1-3;2-2-11;..9.$...28;1-1-2;1-1 |
2fc80 | 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 30 00 1d 00 00 00 | -3;2-1-9;2-2-11;2-1-28;..10..... |
2fca0 | 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 30 3b 00 02 31 31 | 2;1-1-9;1-2-28;2-1-3;2-1-30;..11 |
2fcc0 | 00 10 00 00 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 | .....9;1-1-2;2-2-28;..12.$...28; |
2fce0 | 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; |
2fd00 | 00 02 31 33 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 | ..13.#...30;1-1-3;1-2-9;1-1-28;2 |
2fd20 | 2d 31 2d 32 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 | -1-2;2-2-3;..14.....9;1-1-30;2-1 |
2fd40 | 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 35 00 29 00 00 00 33 3b 31 2d 32 2d 33 | -3;2-1-9;2-1-28;..15.)...3;1-2-3 |
2fd60 | 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 32 38 | ;1-1-30;2-1-1;2-2-3;2-2-9;2-1-28 |
2fd80 | 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 33 30 3b 00 | ;..16.....3;1-2-3;2-2-3;2-1-30;. |
2fda0 | 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 00 00 33 | .17.....3;1-2-3;2-2-3;..18.....3 |
2fdc0 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 39 00 22 00 00 00 33 3b 31 2d | ;1-2-3;2-1-1;2-2-3;..19."...3;1- |
2fde0 | 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 33 30 3b 00 02 32 | 1-1;1-2-3;2-1-1;2-2-3;2-1-30;..2 |
2fe00 | 30 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 | 0.....1;1-1-1;1-1-3;2-1-1;2-2-3; |
2fe20 | 00 02 32 31 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 | ..21.....1;1-2-1;2-1-3;2-3-16;.. |
2fe40 | 32 32 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 32 33 | 22.....1;1-1-1;1-3-16;2-1-1;..23 |
2fe60 | 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 00 00 04 64 | .....16;1-1-1;2-1-1;2-2-16;....d |
2fe80 | 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 | ataset_ids......0.V..4+r.5o....1 |
2fea0 | 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 | .V..:+r.5o....2.V..;+r.5o....3.V |
2fec0 | ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c | ..;+r.5o....4.V..=+r.5o....5.V.. |
2fee0 | 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b | >+r.5o....6.V..?+r.5o....7.V..@+ |
2ff00 | 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed | r.5o....8.V..A+r.5o....9.V..B+r. |
2ff20 | 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 | 5o....10.V..C+r.5o.....features. |
2ff40 | 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 | /....56ba0c342b72ed356f000000... |
2ff60 | 00 00 01 30 00 5d c6 0c 6d f4 62 c8 3f 00 00 02 73 6d 69 6c 65 73 00 32 00 00 00 43 4f 63 31 6e | ...0.]..m.b.?...smiles.2...COc1n |
2ff80 | 63 28 6e 63 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 | c(nc(n1)C)NC(=O)NS(=O)(=O)c1cccc |
2ffa0 | 63 31 43 43 43 28 46 29 28 46 29 46 00 09 75 70 64 61 74 65 64 5f 61 74 00 f0 e8 bf c6 52 01 00 | c1CCC(F)(F)F..updated_at.....R.. |
2ffc0 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 9b b1 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at.....R....default_fi |
2ffe0 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 18 00 00 00 02 69 6e 63 68 69 00 91 00 00 00 49 6e | ngerprint_size......inchi.....In |
30000 | 43 68 49 3d 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 | ChI=1S/C15H16F3N5O4S/c1-9-19-12( |
30020 | 32 32 2d 31 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 | 22-14(20-9)27-2)21-13(24)23-28(2 |
30040 | 35 2c 32 36 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 | 5,26)11-6-4-3-5-10(11)7-8-15(16, |
30060 | 31 37 29 31 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 | 17)18/h3-6H,7-8H2,1-2H3,(H2,19,2 |
30080 | 30 2c 32 31 2c 32 32 2c 32 33 2c 32 34 29 00 00 1d 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed | 0,21,22,23,24)......._id.V..5+r. |
300a0 | 35 6f 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 69 6e 74 | 5o....warnings.......fingerprint |
300c0 | 73 00 02 02 00 00 04 4d 50 32 44 00 f7 01 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 | s......MP2D......0.....1;1-1-1;2 |
300e0 | 2d 31 2d 31 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 | -1-1;2-1-28;..1.....1;1-2-1;1-1- |
30100 | 32 38 3b 32 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 | 28;2-1-2;2-1-30;..2.0...28;1-1-1 |
30120 | 3b 31 2d 31 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 | ;1-1-2;1-1-30;2-2-1;2-1-3;2-3-9; |
30140 | 32 2d 31 2d 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 | 2-1-19;..3.)...2;1-1-3;1-1-9;1-1 |
30160 | 2d 32 38 3b 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 | -28;2-1-1;2-2-3;2-1-30;..4.....9 |
30180 | 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 00 33 3b 31 2d | ;1-1-2;2-1-3;2-1-28;..5.)...3;1- |
301a0 | 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 31 39 3b 32 2d 31 | 1-2;1-2-3;2-2-3;2-1-9;2-1-19;2-1 |
301c0 | 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 2d 33 3b | -28;..6.....3;1-2-3;2-1-2;2-2-3; |
301e0 | 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 00 00 33 3b | ..7.....3;1-2-3;2-2-3;..8.....3; |
30200 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 39 00 23 00 00 00 33 3b 31 2d 32 | 1-2-3;2-2-3;2-1-19;..9.#...3;1-2 |
30220 | 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 33 30 3b 00 02 31 | -3;1-1-19;2-1-2;2-2-3;2-1-30;..1 |
30240 | 30 00 24 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 33 30 3b 32 2d 32 2d 33 3b 32 2d 32 2d | 0.$...19;1-1-3;1-1-30;2-2-3;2-2- |
30260 | 39 3b 32 2d 31 2d 32 38 3b 00 02 31 31 00 2a 00 00 00 33 30 3b 31 2d 32 2d 39 3b 31 2d 31 2d 31 | 9;2-1-28;..11.*...30;1-2-9;1-1-1 |
30280 | 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 00 02 31 32 00 | 9;1-1-28;2-1-1;2-1-2;2-1-3;..12. |
302a0 | 1e 00 00 00 39 3b 31 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 | ....9;1-1-30;2-1-9;2-1-19;2-1-28 |
302c0 | 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 | ;....dataset_ids......0.V..4+r.5 |
302e0 | 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 | o....1.V..:+r.5o....2.V..;+r.5o. |
30300 | 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 | ...3.V..;+r.5o....4.V..<+r.5o... |
30320 | 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 | .5.V..=+r.5o....6.V..>+r.5o....7 |
30340 | 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 38 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 39 00 56 | .V..?+r.5o....8.V..@+r.5o....9.V |
30360 | ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 30 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 31 00 56 | ..A+r.5o....10.V..B+r.5o....11.V |
30380 | ba 0c 43 2b 72 ed 35 6f 00 01 d3 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 | ..C+r.5o....12.V..C+r.5o.....fea |
303a0 | 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 | tures.:....56ba0c342b72ed356f000 |
303c0 | 30 30 30 00 1b 00 00 00 01 30 00 f9 32 0b a0 fe 4e c5 3f 01 31 00 9a cc 09 cc 1e a5 c2 3f 00 00 | 000......0..2...N.?.1........?.. |
303e0 | 02 73 6d 69 6c 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 | .smiles.....CC(N1C(=O)c2ccccc2NS |
30400 | 31 28 3d 4f 29 3d 4f 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 d3 e8 bf c6 52 01 00 00 09 63 | 1(=O)=O)C..updated_at.....R....c |
30420 | 72 65 61 74 65 64 5f 61 74 00 a1 b1 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.....R....default_finge |
30440 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 0d 00 00 00 02 69 6e 63 68 69 00 51 00 00 00 49 6e 43 68 49 | rprint_size......inchi.Q...InChI |
30460 | 3d 31 53 2f 43 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 | =1S/C10H12N2O3S/c1-7(2)12-10(13) |
30480 | 38 2d 35 2d 33 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 | 8-5-3-4-6-9(8)11-16(12,14)15/h3- |
304a0 | 37 2c 31 31 48 2c 31 2d 32 48 33 00 00 5e 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 | 7,11H,1-2H3..^...._id.V..5+r.5o. |
304c0 | 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 74 73 00 85 | ...warnings.......fingerprints.. |
304e0 | 01 00 00 04 4d 50 32 44 00 7a 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 | ....MP2D.z....0.....1;1-1-28;2-1 |
30500 | 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 38 3b | -2;..1.....28;1-1-1;1-1-2;2-1-8; |
30520 | 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 39 3b 31 2d 31 2d | 2-1-9;..2."...2;1-1-8;1-1-9;1-1- |
30540 | 32 38 3b 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 | 28;2-1-1;2-1-6;..3.....9;1-1-2;2 |
30560 | 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 32 3b 31 2d 31 2d | -1-8;2-1-28;..4."...8;1-1-2;1-1- |
30580 | 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 1b 00 00 00 36 3b 31 | 6;2-1-2;2-1-9;2-1-28;..5.....6;1 |
305a0 | 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 36 00 22 00 00 00 32 | -1-2;1-1-8;2-1-1;2-1-2;..6."...2 |
305c0 | 3b 31 2d 31 2d 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 | ;1-1-1;1-1-6;2-2-1;2-1-8;2-1-10; |
305e0 | 00 02 37 00 22 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 | ..7."...1;1-2-1;1-1-2;1-1-10;2-1 |
30600 | 2d 31 3b 32 2d 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 | -1;2-1-6;..8.....10;1-2-1;2-2-1; |
30620 | 32 2d 31 2d 32 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 | 2-1-2;..9.....1;1-1-10;2-1-1;..1 |
30640 | 30 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 | 0.....1;1-1-1;2-1-1;2-1-2;2-1-10 |
30660 | 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 | ;....dataset_ids......0.V..4+r.5 |
30680 | 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 | o....1.V..9+r.5o....2.V..;+r.5o. |
306a0 | 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 | ...3.V..<+r.5o....4.V..=+r.5o... |
306c0 | 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 | .5.V..>+r.5o....6.V..?+r.5o....7 |
306e0 | 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 | .V..@+r.5o....8.V..A+r.5o....9.V |
30700 | ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 | ..B+r.5o....10.V..C+r.5o.....fea |
30720 | 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 | tures./....56ba0c342b72ed356f000 |
30740 | 30 30 30 00 10 00 00 00 01 30 00 58 02 5c a9 f2 38 41 3f 00 00 02 73 6d 69 6c 65 73 00 15 00 00 | 000......0.X.\..8A?...smiles.... |
30760 | 00 43 4e 43 28 3d 4f 29 4f 4e 3d 43 43 28 53 43 29 28 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 | .CNC(=O)ON=CC(SC)(C)C..updated_a |
30780 | 74 00 44 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a9 b1 bf c6 52 01 00 00 10 64 | t.D...R....created_at.....R....d |
307a0 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0b 00 00 00 02 69 6e 63 | efault_fingerprint_size......inc |
307c0 | 68 69 00 43 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 31 34 4e 32 4f 32 53 2f 63 31 2d 37 28 | hi.C...InChI=1S/C7H14N2O2S/c1-7( |
307e0 | 32 2c 31 32 2d 34 29 35 2d 39 2d 31 31 2d 36 28 31 30 29 38 2d 33 2f 68 35 48 2c 31 2d 34 48 33 | 2,12-4)5-9-11-6(10)8-3/h5H,1-4H3 |
30800 | 2c 28 48 2c 38 2c 31 30 29 00 00 73 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 dd | ,(H,8,10)..s...._id.V..5+r.5o... |
30820 | 04 77 61 72 6e 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 01 00 | .warnings.......fingerprints.... |
30840 | 00 04 4d 50 32 44 00 78 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.x....0.....15;1-1-3;2-2-3 |
30860 | 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;.. |
30880 | 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 00 02 33 00 1c | 2.....3;1-2-3;2-2-3;2-2-15;..3.. |
308a0 | 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;.. |
308c0 | 34 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 3b | 4.!...3;1-1-1;1-2-3;2-2-1;2-2-3; |
308e0 | 32 2d 31 2d 38 3b 00 02 35 00 27 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d | 2-1-8;..5.'...1;1-2-1;1-1-3;1-1- |
30900 | 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 21 00 00 00 31 3b 31 2d | 8;2-2-1;2-2-3;2-1-8;..6.!...1;1- |
30920 | 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 3b 00 02 37 00 | 1-1;1-1-8;2-2-1;2-1-3;2-1-8;..7. |
30940 | 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 38 00 22 00 00 00 | ....8;1-2-1;2-3-1;2-1-3;..8."... |
30960 | 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 3b 32 2d 33 2d 31 35 | 1;1-2-1;2-1-1;2-1-3;2-1-8;2-3-15 |
30980 | 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 31 2d 31 3b 00 02 | ;..9.....1;1-1-1;1-3-15;2-1-1;.. |
309a0 | 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 31 35 3b 00 00 00 | 10.....15;1-1-1;2-1-1;2-2-15;... |
309c0 | 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 | .dataset_ids......0.V..4+r.5o... |
309e0 | 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 | .1.V..:+r.5o....2.V..;+r.5o....3 |
30a00 | 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 | .V..<+r.5o....4.V..=+r.5o....5.V |
30a20 | ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c | ..=+r.5o....6.V..?+r.5o....7.V.. |
30a40 | 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b | @+r.5o....8.V..A+r.5o....9.V..B+ |
30a60 | 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 | r.5o....10.V..C+r.5o.....feature |
30a80 | 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 | s./....56ba0c342b72ed356f000000. |
30aa0 | 10 00 00 00 01 30 00 b2 6f bf 1a d0 f7 b7 3f 00 00 02 73 6d 69 6c 65 73 00 24 00 00 00 43 6c 63 | .....0..o.....?...smiles.$...Clc |
30ac0 | 31 63 63 28 43 6c 29 63 63 28 63 31 29 43 31 28 43 4f 31 29 43 43 28 43 6c 29 28 43 6c 29 43 6c | 1cc(Cl)cc(c1)C1(CO1)CC(Cl)(Cl)Cl |
30ae0 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 81 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.....R....created_at |
30b00 | 00 af b1 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | .....R....default_fingerprint_si |
30b20 | 7a 65 00 0b 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 30 48 37 | ze......inchi.K...InChI=1S/C10H7 |
30b40 | 43 6c 35 4f 2f 63 31 31 2d 37 2d 31 2d 36 28 32 2d 38 28 31 32 29 33 2d 37 29 39 28 35 2d 31 36 | Cl5O/c11-7-1-6(2-8(12)3-7)9(5-16 |
30b60 | 2d 39 29 34 2d 31 30 28 31 33 2c 31 34 29 31 35 2f 68 31 2d 33 48 2c 34 2d 35 48 32 00 00 33 07 | -9)4-10(13,14)15/h1-3H,4-5H2..3. |
30b80 | 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 de 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V..5+r.5o....warnings.... |
30ba0 | 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 7d 04 00 00 04 4d 50 32 44 00 72 04 00 00 02 30 | ...fingerprints.}....MP2D.r....0 |
30bc0 | 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 32 | .....1;1-1-1;2-1-1;..1.....1;1-2 |
30be0 | 2d 31 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 | -1;2-1-1;2-1-8;..2.....1;1-2-1;1 |
30c00 | 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 00 15 00 00 00 31 3b 31 2d 32 2d 31 | -1-8;2-2-1;2-1-2;..3.....1;1-2-1 |
30c20 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 | ;2-2-1;2-1-8;..4.....1;1-2-1;2-2 |
30c40 | 2d 31 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 33 2d 31 3b 32 | -1;..5.....1;1-2-1;1-1-8;2-3-1;2 |
30c60 | 2d 31 2d 32 3b 00 02 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 | -1-2;..6.....8;1-2-1;2-3-1;2-1-8 |
30c80 | 3b 00 02 37 00 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 38 | ;..7.....1;1-1-1;1-2-8;2-3-1;..8 |
30ca0 | 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 00 02 39 00 15 00 00 | .....1;1-2-1;2-1-1;2-2-8;..9.... |
30cc0 | 00 31 3b 31 2d 32 2d 31 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;1-2-1;2-2-1;2-1-5;..10.....1; |
30ce0 | 31 2d 32 2d 31 3b 31 2d 31 2d 35 3b 32 2d 34 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 31 00 1b 00 00 | 1-2-1;1-1-5;2-4-1;2-1-8;..11.... |
30d00 | 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 00 02 31 32 00 | .1;1-2-1;1-1-8;2-2-1;2-1-5;..12. |
30d20 | 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 33 00 0f 00 00 | ....1;1-1-1;2-1-1;2-1-8;..13.... |
30d40 | 00 35 3b 31 2d 33 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 34 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b | .5;1-3-1;2-2-1;..14.....1;1-1-5; |
30d60 | 32 2d 32 2d 31 3b 00 02 31 35 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 | 2-2-1;..15.!...1;1-2-1;1-1-2;2-2 |
30d80 | 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 3b 31 2d 31 2d 31 3b | -1;2-1-8;2-1-9;..16.....1;1-1-1; |
30da0 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 37 00 15 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 | 2-1-1;2-1-2;..17.....2;1-2-1;1-1 |
30dc0 | 2d 39 3b 32 2d 34 2d 31 3b 00 02 31 38 00 0f 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b | -9;2-4-1;..18.....9;1-1-2;2-2-1; |
30de0 | 00 02 31 39 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 | ..19.....1;1-2-1;1-1-2;2-4-1;2-1 |
30e00 | 2d 39 3b 00 02 32 30 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 33 2d 31 3b 32 2d 32 2d 32 3b | -9;..20.....1;1-3-1;2-3-1;2-2-2; |
30e20 | 00 02 32 31 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 | ..21.!...1;1-1-1;1-1-2;2-2-1;2-1 |
30e40 | 2d 38 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 2d 38 3b | -8;2-1-9;..22.....2;1-1-1;1-1-8; |
30e60 | 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 00 02 32 33 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 | 1-1-9;2-2-1;..23.....9;1-1-2;2-1 |
30e80 | 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 34 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | -1;2-1-8;..24.....8;1-1-1;1-1-2; |
30ea0 | 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b 00 02 32 35 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 35 | 2-3-1;2-1-9;..25.....1;1-3-1;2-5 |
30ec0 | 2d 31 3b 00 02 32 36 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 32 37 00 0f | -1;..26.....1;1-2-1;2-3-1;..27.. |
30ee0 | 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 34 2d 31 3b 00 02 32 38 00 15 00 00 00 31 3b 31 2d 32 2d | ...1;1-3-1;2-4-1;..28.....1;1-2- |
30f00 | 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 39 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 | 1;2-3-1;2-1-2;..29.....1;1-2-1;2 |
30f20 | 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 30 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d | -3-1;2-1-8;..30.....1;1-2-1;1-1- |
30f40 | 38 3b 32 2d 33 2d 31 3b 00 02 33 31 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b 00 | 8;2-3-1;..31.....8;1-2-1;2-4-1;. |
30f60 | 02 33 32 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;1-2-1;1-1-8;2-3-1;2-1- |
30f80 | 38 3b 00 02 33 33 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 | 8;..33.....1;1-3-1;2-2-1;2-1-8;. |
30fa0 | 02 33 34 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 35 00 1b 00 00 00 31 | .34.....1;1-1-1;2-2-1;..35.....1 |
30fc0 | 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 33 36 00 1b 00 | ;1-2-1;1-1-8;2-4-1;2-1-8;..36... |
30fe0 | 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 33 37 | ..1;1-2-1;1-1-8;2-3-1;2-2-8;..37 |
31000 | 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 38 00 0f 00 00 00 31 3b 31 2d | .....8;1-2-1;2-2-1;..38.....1;1- |
31020 | 31 2d 38 3b 32 2d 31 2d 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 | 1-8;2-1-1;....dataset_ids......0 |
31040 | 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 | .V..4+r.5o....1.V..:+r.5o....2.V |
31060 | ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c | ..;+r.5o....3.V..<+r.5o....4.V.. |
31080 | 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b | =+r.5o....5.V..>+r.5o....6.V..?+ |
310a0 | 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed | r.5o....7.V..@+r.5o....8.V..A+r. |
310c0 | 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 | 5o....9.V..B+r.5o....10.V..C+r.5 |
310e0 | 6f 00 01 d3 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 | o.....features./....56ba0c342b72 |
31100 | 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 b4 59 79 0e a6 bd a0 3f 00 00 02 73 | ed356f000000......0..Yy....?...s |
31120 | 6d 69 6c 65 73 00 5d 00 00 00 43 43 43 31 43 43 43 43 28 4f 43 32 43 43 43 28 43 28 4f 32 29 43 | miles.]...CCC1CCCC(OC2CCC(C(O2)C |
31140 | 29 4e 28 43 29 43 29 43 28 43 29 43 28 3d 4f 29 43 32 43 28 43 43 28 3d 4f 29 4f 31 29 43 31 43 | )N(C)C)C(C)C(=O)C2C(CC(=O)O1)C1C |
31160 | 43 43 33 43 28 43 31 43 32 29 43 43 28 43 33 29 4f 43 31 43 43 28 43 29 43 28 43 28 43 31 4f 43 | CC3C(C1C2)CC(C3)OC1CC(C)C(C(C1OC |
31180 | 29 4f 43 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 70 e6 bf c6 52 01 00 00 09 63 72 65 61 | )OC)OC..updated_at.p...R....crea |
311a0 | 74 65 64 5f 61 74 00 b8 b1 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at.....R....default_fingerpr |
311c0 | 69 6e 74 5f 73 69 7a 65 00 27 00 00 00 02 69 6e 63 68 69 00 d8 00 00 00 49 6e 43 68 49 3d 31 53 | int_size.'....inchi.....InChI=1S |
311e0 | 2f 43 34 32 48 37 31 4e 4f 39 2f 63 31 2d 31 30 2d 32 37 2d 31 32 2d 31 31 2d 31 33 2d 33 35 28 | /C42H71NO9/c1-10-27-12-11-13-35( |
31200 | 35 32 2d 33 38 2d 31 37 2d 31 36 2d 33 34 28 34 33 28 35 29 36 29 32 35 28 34 29 34 39 2d 33 38 | 52-38-17-16-34(43(5)6)25(4)49-38 |
31220 | 29 32 34 28 33 29 33 39 28 34 35 29 33 33 2d 32 31 2d 33 31 2d 32 39 28 33 32 28 33 33 29 32 32 | )24(3)39(45)33-21-31-29(32(33)22 |
31240 | 2d 33 37 28 34 34 29 35 31 2d 32 37 29 31 35 2d 31 34 2d 32 36 2d 31 39 2d 32 38 28 32 30 2d 33 | -37(44)51-27)15-14-26-19-28(20-3 |
31260 | 30 28 32 36 29 33 31 29 35 30 2d 33 36 2d 31 38 2d 32 33 28 32 29 34 30 28 34 36 2d 37 29 34 32 | 0(26)31)50-36-18-23(2)40(46-7)42 |
31280 | 28 34 38 2d 39 29 34 31 28 33 36 29 34 37 2d 38 2f 68 32 33 2d 33 36 2c 33 38 2c 34 30 2d 34 32 | (48-9)41(36)47-8/h23-36,38,40-42 |
312a0 | 48 2c 31 30 2d 32 32 48 32 2c 31 2d 39 48 33 00 00 7a 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 | H,10-22H2,1-9H3..z...._id.V..5+r |
312c0 | ed 35 6f 00 00 df 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e | .5o....warnings.......fingerprin |
312e0 | 74 73 00 95 01 00 00 04 4d 50 32 44 00 8a 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 30 | ts......MP2D......0.....1;1-1-10 |
31300 | 3b 32 2d 31 2d 31 3b 00 02 31 00 10 00 00 00 31 30 3b 31 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 | ;2-1-1;..1.....10;1-2-1;2-1-2;.. |
31320 | 32 00 1c 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 | 2.....1;1-1-2;1-1-10;2-2-1;2-1-6 |
31340 | 3b 00 02 33 00 22 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 36 3b 32 2d 33 2d 31 3b 32 2d 31 | ;..3."...2;1-2-1;1-1-6;2-3-1;2-1 |
31360 | 2d 38 3b 32 2d 31 2d 31 30 3b 00 02 34 00 1b 00 00 00 36 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b | -8;2-1-10;..4.....6;1-1-2;1-1-8; |
31380 | 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 35 00 22 00 00 00 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d | 2-2-1;2-1-2;..5."...8;1-1-2;1-1- |
313a0 | 36 3b 32 2d 31 2d 32 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 | 6;2-1-2;2-1-9;2-1-28;..6."...2;1 |
313c0 | 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;.. |
313e0 | 37 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 38 00 1c | 7.....9;1-1-2;2-1-8;2-1-28;..8.. |
31400 | 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 02 | ...28;1-1-1;1-1-2;2-1-8;2-1-9;.. |
31420 | 39 00 10 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 00 02 31 30 00 1b 00 00 00 31 3b | 9.....1;1-1-28;2-1-2;..10.....1; |
31440 | 31 2d 33 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 31 00 15 00 00 | 1-3-1;1-1-2;2-1-1;2-1-6;..11.... |
31460 | 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 04 64 61 74 61 73 65 74 | .1;1-1-1;2-2-1;2-1-2;....dataset |
31480 | 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b | _ids......0.V..4+r.5o....1.V..:+ |
314a0 | 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed | r.5o....2.V..;+r.5o....3.V..<+r. |
314c0 | 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f | 5o....4.V..=+r.5o....5.V..>+r.5o |
314e0 | 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 | ....6.V..?+r.5o....7.V..@+r.5o.. |
31500 | ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 | ..8.V..A+r.5o....9.V..B+r.5o.... |
31520 | 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 | 10.V..C+r.5o.....features./....5 |
31540 | 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 90 | 6ba0c342b72ed356f000000......0.. |
31560 | 7f 43 ee 83 24 9c 3f 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 | .C..$.?...smiles.....CSCC(=NOC(= |
31580 | 4f 29 4e 43 29 43 28 43 29 28 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 0c ea bf c6 52 01 | O)NC)C(C)(C)C..updated_at.....R. |
315a0 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 bd b1 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at.....R....default_f |
315c0 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0c 00 00 00 02 69 6e 63 68 69 00 4b 00 00 00 49 | ingerprint_size......inchi.K...I |
315e0 | 6e 43 68 49 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 | nChI=1S/C9H18N2O2S/c1-9(2,3)7(6- |
31600 | 31 34 2d 35 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 | 14-5)11-13-8(12)10-4/h6H2,1-5H3, |
31620 | 28 48 2c 31 30 2c 31 32 29 00 00 4a 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 e0 | (H,10,12)..J...._id.V..5+r.5o... |
31640 | 04 77 61 72 6e 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 02 00 | .warnings.......fingerprints.K.. |
31660 | 00 04 4d 50 32 44 00 40 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 39 3b 32 2d 31 2d 36 3b | ..MP2D.@....0.....1;1-1-9;2-1-6; |
31680 | 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 32 3b 00 02 32 00 | ..1.....9;1-1-1;1-1-6;2-1-2;..2. |
316a0 | 1b 00 00 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 | ....6;1-1-2;1-1-9;2-2-1;2-1-3;.. |
316c0 | 33 00 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 33 2d 33 3b | 3.!...2;1-1-1;1-1-3;1-1-6;2-3-3; |
316e0 | 32 2d 31 2d 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 | 2-1-9;..4.(...3;1-1-2;1-2-3;2-1- |
31700 | 31 3b 32 2d 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 | 1;2-2-3;2-1-6;2-1-15;..5.....3;1 |
31720 | 2d 32 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 | -2-3;2-1-2;2-2-3;..6.....3;1-2-3 |
31740 | 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 31 2d | ;2-2-3;2-1-15;..7.....3;1-2-3;1- |
31760 | 31 2d 31 35 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 | 1-15;2-2-3;..8.....3;1-2-3;2-2-3 |
31780 | 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 31 2d 31 35 3b 32 | ;2-2-15;..9.....3;1-2-3;1-1-15;2 |
317a0 | 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 2d 33 3b 32 2d 32 | -1-2;2-2-3;..10.....15;1-1-3;2-2 |
317c0 | 2d 33 3b 00 02 31 31 00 1b 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 33 2d 33 3b | -3;..11.....1;1-1-2;1-1-3;2-3-3; |
317e0 | 32 2d 31 2d 36 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 | 2-1-6;..12."...3;1-1-1;1-2-3;2-1 |
31800 | 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 | -2;2-1-3;2-1-11;..13.....3;1-2-3 |
31820 | 3b 32 2d 31 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 | ;2-1-1;2-2-3;..14.....3;1-2-3;2- |
31840 | 31 2d 33 3b 32 2d 31 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;2-1-11;..15.....3;1-1-3;1-1- |
31860 | 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 |
31880 | 3b 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 | ;..17.....3;1-1-3;1-1-11;2-1-1;2 |
318a0 | 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 | -2-3;....dataset_ids......0.V..4 |
318c0 | 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 | +r.5o....1.V..:+r.5o....2.V..;+r |
318e0 | ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 | .5o....3.V..<+r.5o....4.V..=+r.5 |
31900 | 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 | o....5.V..>+r.5o....6.V..?+r.5o. |
31920 | 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf | ...7.V..@+r.5o....8.V..A+r.5o... |
31940 | 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 | .9.V..B+r.5o....10.V..C+r.5o.... |
31960 | 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 | .features./....56ba0c342b72ed356 |
31980 | 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 ab cb 28 b4 bb 83 c3 3f 00 00 02 73 6d 69 6c 65 73 | f000000......0...(....?...smiles |
319a0 | 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 63 63 63 | .....CON=C(c1ccc(cc1Cl)Cl)Cc1ccc |
319c0 | 6e 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 3c ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 | nc1..updated_at.<...R....created |
319e0 | 5f 61 74 00 c3 b1 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at.....R....default_fingerprint |
31a00 | 5f 73 69 7a 65 00 12 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 | _size......inchi._...InChI=1S/C1 |
31a20 | 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 2d 32 2d | 4H12Cl2N2O/c1-19-18-14(7-10-3-2- |
31a40 | 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 32 29 31 | 6-17-9-10)12-5-4-11(15)8-13(12)1 |
31a60 | 36 2f 68 32 2d 36 2c 38 2d 39 48 2c 37 48 32 2c 31 48 33 00 00 73 04 00 00 07 5f 69 64 00 56 ba | 6/h2-6,8-9H,7H2,1H3..s...._id.V. |
31a80 | 0c 35 2b 72 ed 35 6f 00 00 e1 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | .5+r.5o....warnings.......finger |
31aa0 | 70 72 69 6e 74 73 00 4d 02 00 00 04 4d 50 32 44 00 42 02 00 00 02 30 00 15 00 00 00 39 3b 31 2d | prints.M....MP2D.B....0.....9;1- |
31ac0 | 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 2d 31 3b | 1-2;2-1-1;2-1-8;..1.....2;1-1-1; |
31ae0 | 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 2d 32 2d | 1-1-8;1-1-9;2-3-1;..2.'...1;1-2- |
31b00 | 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 39 3b | 1;1-1-2;2-4-1;2-1-2;2-1-8;2-1-9; |
31b20 | 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 2d 32 2d | ..3.....1;1-2-1;1-1-2;2-4-1;2-2- |
31b40 | 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 3b 00 02 | 2;..4.....1;1-4-1;2-2-1;2-2-2;.. |
31b60 | 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 32 3b 31 2d | 5.....1;1-1-1;2-3-1;..6.....2;1- |
31b80 | 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 00 02 37 00 15 00 00 00 32 3b 31 2d 32 2d 31 3b | 1-1;1-1-2;2-4-1;..7.....2;1-2-1; |
31ba0 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 00 02 38 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d | 1-1-2;2-1-1;..8.....1;1-1-2;2-1- |
31bc0 | 31 3b 32 2d 31 2d 32 3b 00 02 39 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d | 1;2-1-2;..9."...8;1-1-1;1-1-2;2- |
31be0 | 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 16 00 00 00 31 3b 31 2d 31 2d | 1-1;2-1-9;2-1-28;..10.....1;1-1- |
31c00 | 38 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 32 3b 00 02 31 31 00 22 00 00 00 32 38 3b 31 2d 31 2d 31 | 8;1-1-28;2-3-2;..11."...28;1-1-1 |
31c20 | 3b 31 2d 32 2d 32 3b 32 2d 32 2d 32 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 31 32 00 22 00 | ;1-2-2;2-2-2;2-1-8;2-2-9;..12.". |
31c40 | 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 32 2d 31 3b 32 2d 32 | ..2;1-1-2;1-1-9;1-1-28;2-2-1;2-2 |
31c60 | 2d 32 3b 00 02 31 33 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 | -2;..13.....9;1-1-2;2-1-2;2-1-28 |
31c80 | 3b 00 02 31 34 00 28 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 | ;..14.(...2;1-1-1;1-2-2;2-2-1;2- |
31ca0 | 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 35 00 1b 00 00 00 31 3b 31 2d 31 2d | 1-2;2-1-9;2-1-28;..15.....1;1-1- |
31cc0 | 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 36 00 15 00 00 00 31 3b 31 | 1;1-1-2;2-1-1;2-2-2;..16.....1;1 |
31ce0 | 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 | -2-1;2-1-1;2-1-2;....dataset_ids |
31d00 | 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f | ......0.V..4+r.5o....1.V..:+r.5o |
31d20 | 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 | ....2.V..;+r.5o....3.V..<+r.5o.. |
31d40 | c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 | ..4.V..=+r.5o....5.V..>+r.5o.... |
31d60 | 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 00 | 6.V..?+r.5o....7.V..@+r.5o....8. |
31d80 | 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 | V..A+r.5o....9.V..B+r.5o....10.V |
31da0 | ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 | ..C+r.5o.....features./....56ba0 |
31dc0 | 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 f1 b3 19 b6 ba | c342b72ed356f000000......0...... |
31de0 | 23 e8 3f 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 | #.?...smiles.0...O=C(C1C(C1(C)C) |
31e00 | 43 3d 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 | C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2 |
31e20 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 ff e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.....R....created_at |
31e40 | 00 c9 b1 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | .....R....default_fingerprint_si |
31e60 | 7a 65 00 11 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 | ze......inchi.u...InChI=1S/C19H2 |
31e80 | 35 4e 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 | 5NO4/c1-11(2)9-14-15(19(14,3)4)1 |
31ea0 | 38 28 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 | 8(23)24-10-20-16(21)12-7-5-6-8-1 |
31ec0 | 33 28 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 | 3(12)17(20)22/h9,14-15H,5-8,10H2 |
31ee0 | 2c 31 2d 34 48 33 00 00 4c 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 e2 04 77 61 | ,1-4H3..L...._id.V..5+r.5o....wa |
31f00 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 45 02 00 00 04 4d | rnings.......fingerprints.E....M |
31f20 | 50 32 44 00 3a 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;.. |
31f40 | 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.. |
31f60 | 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..... |
31f80 | 33 3b 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 | 3;1-2-3;2-1-1;2-2-3;..4.(...3;1- |
31fa0 | 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 2d | 1-1;1-2-3;2-1-1;2-2-3;2-2-8;2-1- |
31fc0 | 31 35 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 | 15;..5.....3;1-2-3;1-1-15;2-1-1; |
31fe0 | 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- |
32000 | 31 35 3b 00 02 37 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 | 15;..7.(...1;1-1-1;1-1-3;1-2-8;2 |
32020 | 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 1b 00 00 00 38 3b 31 2d 32 2d | -2-1;2-2-3;2-1-11;..8.....8;1-2- |
32040 | 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 1b 00 00 00 31 3b 31 2d | 1;2-2-1;2-1-3;2-1-8;..9.....1;1- |
32060 | 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 30 00 23 00 00 00 31 | 1-1;1-1-8;2-1-1;2-1-8;..10.#...1 |
32080 | 3b 31 2d 31 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 | ;1-1-1;1-1-11;2-2-3;2-2-8;2-1-11 |
320a0 | 3b 00 02 31 31 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 | ;..11.*...11;1-1-1;1-1-3;1-1-11; |
320c0 | 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 32 00 1d 00 00 00 33 3b 31 2d | 2-1-1;2-1-3;2-1-11;..12.....3;1- |
320e0 | 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 33 00 11 00 00 | 2-11;2-1-1;2-1-3;2-1-11;..13.... |
32100 | 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 34 00 17 00 00 00 33 3b 31 2d 32 2d | .11;1-2-3;2-2-11;..14.....3;1-2- |
32120 | 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 35 00 24 00 00 00 31 31 3b 31 2d 31 2d | 11;2-1-3;2-1-11;..15.$...11;1-1- |
32140 | 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 00 00 04 | 3;1-1-11;2-1-1;2-1-3;2-1-11;.... |
32160 | 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 | dataset_ids......0.V..4+r.5o.... |
32180 | 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 | 1.V..:+r.5o....2.V..;+r.5o....3. |
321a0 | 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba | V..<+r.5o....4.V..=+r.5o....5.V. |
321c0 | 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 37 00 56 ba 0c 40 | .>+r.5o....6.V..?+r.5o....7.V..@ |
321e0 | 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 | +r.5o....8.V..A+r.5o....9.V..B+r |
32200 | ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 | .5o....10.V..C+r.5o.....features |
32220 | 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 | ./....56ba0c342b72ed356f000000.. |
32240 | 00 00 00 01 30 00 bf ac eb f7 04 0f a1 3f 00 00 02 73 6d 69 6c 65 73 00 22 00 00 00 43 6c 63 31 | ....0........?...smiles."...Clc1 |
32260 | 63 63 63 28 63 28 63 31 29 43 6c 29 43 31 28 4f 43 43 4f 31 29 43 6e 31 63 6e 63 6e 31 00 09 75 | ccc(c(c1)Cl)C1(OCCO1)Cn1cncn1..u |
32280 | 70 64 61 74 65 64 5f 61 74 00 97 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 cf b1 | pdated_at.....R....created_at... |
322a0 | bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | ..R....default_fingerprint_size. |
322c0 | 10 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 32 48 31 31 43 6c | .....inchi.d...InChI=1S/C12H11Cl |
322e0 | 32 4e 33 4f 32 2f 63 31 33 2d 39 2d 31 2d 32 2d 31 30 28 31 31 28 31 34 29 35 2d 39 29 31 32 28 | 2N3O2/c13-9-1-2-10(11(14)5-9)12( |
32300 | 31 38 2d 33 2d 34 2d 31 39 2d 31 32 29 36 2d 31 37 2d 38 2d 31 35 2d 37 2d 31 36 2d 31 37 2f 68 | 18-3-4-19-12)6-17-8-15-7-16-17/h |
32320 | 31 2d 32 2c 35 2c 37 2d 38 48 2c 33 2d 34 2c 36 48 32 00 00 d3 03 00 00 07 5f 69 64 00 56 ba 0c | 1-2,5,7-8H,3-4,6H2......._id.V.. |
32340 | 35 2b 72 ed 35 6f 00 00 e3 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | 5+r.5o....warnings.......fingerp |
32360 | 72 69 6e 74 73 00 d9 01 00 00 04 4d 50 32 44 00 ce 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 | rints......MP2D......0.....1;1-1 |
32380 | 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 38 3b 00 | -1;2-1-1;..1.....1;1-2-1;2-1-8;. |
323a0 | 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 2d 31 2d 32 | .2.....1;1-1-1;1-1-8;2-1-1;2-1-2 |
323c0 | 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 2d 31 3b 32 2d 31 | ;..3.!...8;1-1-1;1-1-2;2-1-1;2-1 |
323e0 | 2d 33 3b 32 2d 31 2d 39 3b 00 02 34 00 28 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 | -3;2-1-9;..4.(...2;1-1-3;1-1-8;1 |
32400 | 2d 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 35 00 15 00 00 00 | -1-9;2-1-1;2-1-3;2-1-11;..5..... |
32420 | 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 36 00 28 00 00 00 33 3b 31 2d | 9;1-1-2;2-1-3;2-1-8;..6.(...3;1- |
32440 | 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 | 1-2;1-1-3;1-1-11;2-2-3;2-1-8;2-1 |
32460 | 2d 39 3b 00 02 37 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 | -9;..7.....3;1-2-3;2-1-2;2-1-3;2 |
32480 | 2d 31 2d 31 31 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 | -1-11;..8.....3;1-2-3;2-1-2;2-2- |
324a0 | 33 3b 00 02 39 00 28 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 | 3;..9.(...3;1-1-2;1-2-3;2-1-3;2- |
324c0 | 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 2d 31 2d | 1-8;2-1-9;2-1-11;..10.....3;1-1- |
324e0 | 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 31 00 16 00 00 00 31 31 | 3;1-1-11;2-1-2;2-2-3;..11.....11 |
32500 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 32 00 21 00 00 00 32 3b 31 2d | ;1-2-3;2-1-2;2-2-3;..12.!...2;1- |
32520 | 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 00 00 04 | 1-3;1-1-8;1-1-9;2-1-1;2-2-3;.... |
32540 | 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 | dataset_ids......0.V..4+r.5o.... |
32560 | 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 | 1.V..:+r.5o....2.V..;+r.5o....3. |
32580 | 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba | V..;+r.5o....4.V..=+r.5o....5.V. |
325a0 | 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 | .>+r.5o....6.V..?+r.5o....7.V..@ |
325c0 | 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 | +r.5o....8.V..A+r.5o....9.V..B+r |
325e0 | ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 | .5o....10.V..C+r.5o.....features |
32600 | 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 | ./....56ba0c342b72ed356f000000.. |
32620 | 00 00 00 01 30 00 63 06 95 ba 52 d6 ef 3f 00 00 02 73 6d 69 6c 65 73 00 1d 00 00 00 43 43 43 4f | ....0.c...R..?...smiles.....CCCO |
32640 | 43 28 3d 4f 29 63 31 63 63 63 28 63 6e 31 29 43 28 3d 4f 29 4f 43 43 43 00 09 75 70 64 61 74 65 | C(=O)c1ccc(cn1)C(=O)OCCC..update |
32660 | 64 5f 61 74 00 fc e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d5 b1 bf c6 52 01 00 | d_at.....R....created_at.....R.. |
32680 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0d 00 00 00 02 | ..default_fingerprint_size...... |
326a0 | 69 6e 63 68 69 00 5c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 33 48 31 37 4e 4f 34 2f 63 31 2d | inchi.\...InChI=1S/C13H17NO4/c1- |
326c0 | 33 2d 37 2d 31 37 2d 31 32 28 31 35 29 31 30 2d 35 2d 36 2d 31 31 28 31 34 2d 39 2d 31 30 29 31 | 3-7-17-12(15)10-5-6-11(14-9-10)1 |
326e0 | 33 28 31 36 29 31 38 2d 38 2d 34 2d 32 2f 68 35 2d 36 2c 39 48 2c 33 2d 34 2c 37 2d 38 48 32 2c | 3(16)18-8-4-2/h5-6,9H,3-4,7-8H2, |
32700 | 31 2d 32 48 33 00 00 62 05 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 e4 04 77 61 72 | 1-2H3..b...._id.V..5+r.5o....war |
32720 | 6e 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 03 00 00 04 4d 50 | nings.......fingerprints......MP |
32740 | 32 44 00 10 03 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 | 2D......0.....9;1-1-2;2-2-28;..1 |
32760 | 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 30 | .....2;1-1-9;1-2-28;2-1-3;2-1-30 |
32780 | 3b 00 02 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 33 3b 32 | ;..2.$...28;1-1-2;1-1-30;2-1-3;2 |
327a0 | 2d 33 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 33 00 23 00 00 00 33 30 3b 31 2d 31 2d 33 3b 31 2d 32 | -3-9;2-1-28;..3.#...30;1-1-3;1-2 |
327c0 | 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 1d 00 00 00 39 3b | -9;1-1-28;2-1-2;2-2-3;..4.....9; |
327e0 | 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 35 00 29 00 | 1-1-30;2-1-3;2-1-9;2-1-28;..5.). |
32800 | 00 00 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 | ..3;1-2-3;1-1-30;2-1-2;2-2-3;2-2 |
32820 | 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b | -9;2-1-28;..6.....3;1-2-3;2-2-3; |
32840 | 32 2d 31 2d 33 30 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 | 2-1-30;..7.....3;1-2-3;2-2-3;..8 |
32860 | 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 28 00 00 | .....3;1-2-3;2-1-2;2-2-3;..9.(.. |
32880 | 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 |
328a0 | 3b 32 2d 31 2d 33 30 3b 00 02 31 30 00 21 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 | ;2-1-30;..10.!...2;1-1-3;1-1-8;1 |
328c0 | 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 31 2d 31 2d | -1-9;2-1-1;2-2-3;..11.....9;1-1- |
328e0 | 32 3b 32 2d 31 2d 33 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 | 2;2-1-3;2-1-8;..12.!...8;1-1-1;1 |
32900 | 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 33 00 1b 00 00 00 | -1-2;2-2-1;2-1-3;2-1-9;..13..... |
32920 | 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 3b 00 02 31 34 00 1b | 1;1-2-1;1-1-8;2-1-2;2-2-8;..14.. |
32940 | 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 31 | ...1;1-1-1;1-1-8;2-2-1;2-1-8;..1 |
32960 | 35 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 36 00 24 00 00 00 32 38 3b | 5.....8;1-2-1;2-2-1;..16.$...28; |
32980 | 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 32 38 3b | 1-1-2;1-1-3;2-1-9;2-2-11;2-1-28; |
329a0 | 00 02 31 37 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 | ..17.....3;1-2-11;1-1-28;2-1-2;2 |
329c0 | 2d 32 2d 33 3b 00 02 31 38 00 24 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 | -2-3;..18.$...11;1-2-3;2-1-1;2-1 |
329e0 | 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 31 39 00 1c 00 00 00 33 3b 31 2d 31 2d | -3;2-1-11;2-1-28;..19.....3;1-1- |
32a00 | 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 32 30 00 16 00 00 00 31 3b | 1;1-1-3;1-1-11;2-2-3;..20.....1; |
32a20 | 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 31 00 16 00 00 00 33 3b 31 2d | 1-1-3;2-1-3;2-1-11;..21.....3;1- |
32a40 | 32 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 31 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 | 2-3;2-2-1;2-2-11;....dataset_ids |
32a60 | 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f | ......0.V..4+r.5o....1.V..:+r.5o |
32a80 | 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 | ....2.V..;+r.5o....3.V..<+r.5o.. |
32aa0 | c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 | ..4.V..=+r.5o....5.V..>+r.5o.... |
32ac0 | 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 | 6.V..?+r.5o....7.V..@+r.5o....8. |
32ae0 | 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 | V..A+r.5o....9.V..B+r.5o....10.V |
32b00 | ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 | ..C+r.5o.....features./....56ba0 |
32b20 | 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 0c cf 71 ae 11 | c342b72ed356f000000......0...q.. |
32b40 | 24 ca 3f 00 00 02 73 6d 69 6c 65 73 00 33 00 00 00 4f 3d 43 28 4e 53 28 3d 4f 29 28 3d 4f 29 63 | $.?...smiles.3...O=C(NS(=O)(=O)c |
32b60 | 31 63 63 63 63 63 31 43 28 3d 4f 29 4f 43 31 43 4f 43 31 29 4e 63 31 6e 63 28 43 29 63 63 28 6e | 1ccccc1C(=O)OC1COC1)Nc1nc(C)cc(n |
32b80 | 31 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 16 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 | 1)C..updated_at.....R....created |
32ba0 | 5f 61 74 00 db b1 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at.....R....default_fingerprint |
32bc0 | 5f 73 69 7a 65 00 16 00 00 00 02 69 6e 63 68 69 00 93 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 | _size......inchi.....InChI=1S/C1 |
32be0 | 37 48 31 38 4e 34 4f 36 53 2f 63 31 2d 31 30 2d 37 2d 31 31 28 32 29 31 39 2d 31 36 28 31 38 2d | 7H18N4O6S/c1-10-7-11(2)19-16(18- |
32c00 | 31 30 29 32 30 2d 31 37 28 32 33 29 32 31 2d 32 38 28 32 34 2c 32 35 29 31 34 2d 36 2d 34 2d 33 | 10)20-17(23)21-28(24,25)14-6-4-3 |
32c20 | 2d 35 2d 31 33 28 31 34 29 31 35 28 32 32 29 32 37 2d 31 32 2d 38 2d 32 36 2d 39 2d 31 32 2f 68 | -5-13(14)15(22)27-12-8-26-9-12/h |
32c40 | 33 2d 37 2c 31 32 48 2c 38 2d 39 48 32 2c 31 2d 32 48 33 2c 28 48 32 2c 31 38 2c 31 39 2c 32 30 | 3-7,12H,8-9H2,1-2H3,(H2,18,19,20 |
32c60 | 2c 32 31 2c 32 33 29 00 00 a5 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 e5 04 77 | ,21,23)......._id.V..5+r.5o....w |
32c80 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 bf 01 00 00 04 | arnings.......fingerprints...... |
32ca0 | 4d 50 32 44 00 b4 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 | MP2D......0.....32;1-1-2;2-1-1;2 |
32cc0 | 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 3b 32 2d 31 | -1-32;..1.....2;1-1-1;1-2-32;2-1 |
32ce0 | 2d 38 3b 00 02 32 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 | -8;..2.....1;1-1-2;1-1-8;2-1-3;2 |
32d00 | 2d 32 2d 33 32 3b 00 02 33 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d | -2-32;..3."...8;1-1-1;1-1-3;2-1- |
32d20 | 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 34 00 29 00 00 00 33 3b 31 2d 31 2d 33 3b 31 | 2;2-1-3;2-1-11;..4.)...3;1-1-3;1 |
32d40 | 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 31 2d 31 35 3b 00 | -1-8;1-1-11;2-1-1;2-2-3;2-1-15;. |
32d60 | 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 38 3b 32 2d 31 2d | .5.....11;1-2-3;2-2-3;2-1-8;2-1- |
32d80 | 31 35 3b 00 02 36 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;..6.$...3;1-1-3;1-1-11;1-1-15 |
32da0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 37 00 17 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 | ;2-2-3;2-1-15;..7.....15;1-1-3;2 |
32dc0 | 2d 31 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 | -1-3;2-1-11;..8.$...3;1-2-3;1-1- |
32de0 | 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 39 00 16 00 00 00 33 | 15;2-1-3;2-1-11;2-1-15;..9.....3 |
32e00 | 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 23 00 00 00 33 3b 31 | ;1-2-3;2-2-3;2-2-15;..10.#...3;1 |
32e20 | 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 00 | -2-3;1-1-15;2-1-3;2-1-8;2-1-11;. |
32e40 | 02 31 31 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 | .11.....15;1-1-3;2-2-3;....datas |
32e60 | 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c | et_ids......0.V..4+r.5o....1.V.. |
32e80 | 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b | :+r.5o....2.V..;+r.5o....3.V..<+ |
32ea0 | 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3e 2b 72 ed | r.5o....4.V..<+r.5o....5.V..>+r. |
32ec0 | 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f | 5o....6.V..?+r.5o....7.V..@+r.5o |
32ee0 | 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 | ....8.V..A+r.5o....9.V..B+r.5o.. |
32f00 | d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 | ..10.V..C+r.5o.....features./... |
32f20 | 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 | .56ba0c342b72ed356f000000......0 |
32f40 | 00 8e a2 4c a3 8b f7 c1 3f 00 00 02 73 6d 69 6c 65 73 00 1b 00 00 00 4f 43 28 3d 4f 29 43 4f 63 | ...L....?...smiles.....OC(=O)COc |
32f60 | 31 6e 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 74 00 34 e9 | 1nc(Cl)c(cc1Cl)Cl..updated_at.4. |
32f80 | bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e8 b1 bf c6 52 01 00 00 10 64 65 66 61 75 | ..R....created_at.....R....defau |
32fa0 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0c 00 00 00 02 69 6e 63 68 69 00 4a | lt_fingerprint_size......inchi.J |
32fc0 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 34 43 6c 33 4e 4f 33 2f 63 38 2d 33 2d 31 2d 34 28 | ...InChI=1S/C7H4Cl3NO3/c8-3-1-4( |
32fe0 | 39 29 37 28 31 31 2d 36 28 33 29 31 30 29 31 34 2d 32 2d 35 28 31 32 29 31 33 2f 68 31 48 2c 32 | 9)7(11-6(3)10)14-2-5(12)13/h1H,2 |
33000 | 48 32 2c 28 48 2c 31 32 2c 31 33 29 00 00 9a 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f | H2,(H,12,13)......._id.V..5+r.5o |
33020 | 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 74 73 00 | ....warnings.......fingerprints. |
33040 | 83 02 00 00 04 4d 50 32 44 00 78 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 | .....MP2D.x....0.....1;1-1-1;2-1 |
33060 | 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 31 3b 00 | -8;..1.....1;1-1-1;1-1-8;2-1-1;. |
33080 | 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 31 31 3b 00 02 33 00 | .2.....8;1-2-1;2-1-1;2-1-11;..3. |
330a0 | 1c 00 00 00 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 00 | ....1;1-1-8;1-1-11;2-1-1;2-2-3;. |
330c0 | 02 34 00 22 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 33 2d | .4."...11;1-1-1;1-2-3;2-1-1;2-3- |
330e0 | 33 3b 32 2d 31 2d 38 3b 00 02 35 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 | 3;2-1-8;..5."...3;1-2-3;1-1-11;2 |
33100 | 2d 31 2d 31 3b 32 2d 34 2d 33 3b 32 2d 31 2d 34 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 33 2d 33 | -1-1;2-4-3;2-1-4;..6.....3;1-3-3 |
33120 | 3b 32 2d 33 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 | ;2-3-3;2-1-11;..7.....3;1-2-3;2- |
33140 | 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 2d 31 35 | 3-3;..8.....3;1-2-3;2-2-3;2-1-15 |
33160 | 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 00 02 | ;..9.....3;1-2-3;1-1-15;2-2-3;.. |
33180 | 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 29 00 00 00 33 | 10.....15;1-1-3;2-2-3;..11.)...3 |
331a0 | 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 31 2d 31 31 3b | ;1-2-3;1-1-4;2-2-3;2-1-7;2-1-11; |
331c0 | 32 2d 31 2d 31 34 3b 00 02 31 32 00 29 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 34 3b 32 | 2-1-14;..12.)...3;1-2-3;1-1-14;2 |
331e0 | 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 34 3b 32 2d 31 2d 31 31 3b 00 02 31 33 00 30 00 00 | -1-1;2-1-3;2-1-4;2-1-11;..13.0.. |
33200 | 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 32 2d | .3;1-1-1;1-1-3;1-1-11;2-1-1;2-2- |
33220 | 33 3b 32 2d 31 2d 31 34 3b 32 2d 33 2d 31 36 3b 00 02 31 34 00 1d 00 00 00 31 3b 31 2d 31 2d 33 | 3;2-1-14;2-3-16;..14.....1;1-1-3 |
33240 | 3b 31 2d 33 2d 31 36 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 35 00 17 00 00 00 31 36 | ;1-3-16;2-1-3;2-1-11;..15.....16 |
33260 | 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 10 00 00 00 31 34 3b | ;1-1-1;2-1-3;2-2-16;..16.....14; |
33280 | 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 37 00 15 00 00 00 34 3b 31 2d 31 2d 33 3b 31 2d 31 | 1-1-3;2-2-3;..17.....4;1-1-3;1-1 |
332a0 | 2d 37 3b 32 2d 32 2d 33 3b 00 02 31 38 00 0f 00 00 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 2d 33 3b | -7;2-2-3;..18.....7;1-1-4;2-1-3; |
332c0 | 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f | ....dataset_ids......0.V..4+r.5o |
332e0 | 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 | ....1.V..:+r.5o....2.V..;+r.5o.. |
33300 | c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 | ..3.V..<+r.5o....4.V..<+r.5o.... |
33320 | 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 | 5.V..>+r.5o....6.V..?+r.5o....7. |
33340 | 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba | V..@+r.5o....8.V..A+r.5o....9.V. |
33360 | 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 | .B+r.5o....10.V..C+r.5o.....feat |
33380 | 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 | ures./....56ba0c342b72ed356f0000 |
333a0 | 30 30 00 10 00 00 00 01 30 00 b9 2a ea 65 37 15 a1 3f 00 00 02 73 6d 69 6c 65 73 00 2b 00 00 00 | 00......0..*.e7..?...smiles.+... |
333c0 | 43 43 4f 43 6e 31 63 28 63 32 63 63 63 28 63 63 32 29 43 6c 29 63 28 63 28 63 31 43 28 46 29 28 | CCOCn1c(c2ccc(cc2)Cl)c(c(c1C(F)( |
333e0 | 46 29 46 29 42 72 29 43 23 4e 00 09 75 70 64 61 74 65 64 5f 61 74 00 36 e9 bf c6 52 01 00 00 09 | F)F)Br)C#N..updated_at.6...R.... |
33400 | 63 72 65 61 74 65 64 5f 61 74 00 ee b1 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at.....R....default_fing |
33420 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 13 00 00 00 02 69 6e 63 68 69 00 6b 00 00 00 49 6e 43 68 | erprint_size......inchi.k...InCh |
33440 | 49 3d 31 53 2f 43 31 35 48 31 31 42 72 43 6c 46 33 4e 32 4f 2f 63 31 2d 32 2d 32 33 2d 38 2d 32 | I=1S/C15H11BrClF3N2O/c1-2-23-8-2 |
33460 | 32 2d 31 33 28 39 2d 33 2d 35 2d 31 30 28 31 37 29 36 2d 34 2d 39 29 31 31 28 37 2d 32 31 29 31 | 2-13(9-3-5-10(17)6-4-9)11(7-21)1 |
33480 | 32 28 31 36 29 31 34 28 32 32 29 31 35 28 31 38 2c 31 39 29 32 30 2f 68 33 2d 36 48 2c 32 2c 38 | 2(16)14(22)15(18,19)20/h3-6H,2,8 |
334a0 | 48 32 2c 31 48 33 00 00 61 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 e7 04 77 61 | H2,1H3..a...._id.V..5+r.5o....wa |
334c0 | 72 6e 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 | rnings.......fingerprints.C....M |
334e0 | 50 32 44 00 38 02 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 | P2D.8....0.....1;1-1-10;2-1-2;.. |
33500 | 31 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 | 1.....10;1-1-1;1-1-2;2-1-3;2-1-9 |
33520 | 3b 00 02 32 00 22 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 30 3b 32 2d | ;..2."...2;1-1-3;1-1-9;1-1-10;2- |
33540 | 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b | 1-1;2-2-3;..3.....9;1-1-2;2-1-3; |
33560 | 32 2d 31 2d 31 30 3b 00 02 34 00 2f 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 | 2-1-10;..4./...3;1-1-2;1-2-3;2-2 |
33580 | 2d 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 31 3b 00 02 35 | -1;2-1-3;2-1-9;2-1-10;2-1-11;..5 |
335a0 | 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 32 3b | .)...3;1-1-1;1-1-3;1-1-11;2-1-2; |
335c0 | 32 2d 32 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 36 00 16 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d | 2-2-3;2-2-16;..6.....11;1-2-3;2- |
335e0 | 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 29 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b | 2-1;2-2-3;..7.)...3;1-1-1;1-1-3; |
33600 | 31 2d 31 2d 31 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 38 00 21 00 | 1-1-11;2-1-2;2-2-3;2-3-16;..8.!. |
33620 | 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- |
33640 | 33 3b 00 02 39 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 2d | 3;..9.....1;1-1-1;1-1-3;2-2-1;2- |
33660 | 32 2d 33 3b 00 02 31 30 00 0f 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 31 00 | 2-3;..10.....1;1-3-1;2-1-3;..11. |
33680 | 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 32 00 1d 00 00 00 31 3b 31 2d 31 | ....1;1-1-1;2-2-1;..12.....1;1-1 |
336a0 | 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 33 00 17 00 00 00 | -3;1-3-16;2-1-3;2-1-11;..13..... |
336c0 | 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 1d 00 00 00 31 | 16;1-1-1;2-1-3;2-2-16;..14.....1 |
336e0 | 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 00 02 31 35 00 | ;1-1-3;1-2-16;2-1-3;2-1-11;..15. |
33700 | 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 00 04 64 61 | ....16;1-1-1;2-1-3;2-1-16;....da |
33720 | 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 | taset_ids......0.V..4+r.5o....1. |
33740 | 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba | V..:+r.5o....2.V..;+r.5o....3.V. |
33760 | 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e | .<+r.5o....4.V..=+r.5o....5.V..> |
33780 | 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 | +r.5o....6.V..?+r.5o....7.V..@+r |
337a0 | ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 | .5o....8.V..A+r.5o....9.V..B+r.5 |
337c0 | 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 00 03 66 65 61 74 75 72 65 73 00 2f | o....10.V..C+r.5o.....features./ |
337e0 | 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 | ....56ba0c342b72ed356f000000.... |
33800 | 00 01 30 00 f3 bf 45 1f 24 85 82 3f 00 00 02 73 6d 69 6c 65 73 00 30 00 00 00 43 53 43 28 3d 4f | ..0...E.$..?...smiles.0...CSC(=O |
33820 | 29 63 31 63 28 6e 63 28 63 28 63 31 43 43 28 43 29 43 29 43 28 3d 4f 29 53 43 29 43 28 46 29 28 | )c1c(nc(c(c1CC(C)C)C(=O)SC)C(F)( |
33840 | 46 29 46 29 43 28 46 29 46 00 09 75 70 64 61 74 65 64 5f 61 74 00 7a e6 bf c6 52 01 00 00 09 63 | F)F)C(F)F..updated_at.z...R....c |
33860 | 72 65 61 74 65 64 5f 61 74 00 f4 b1 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.....R....default_finge |
33880 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 10 00 00 00 02 69 6e 63 68 69 00 6d 00 00 00 49 6e 43 68 49 | rprint_size......inchi.m...InChI |
338a0 | 3d 31 53 2f 43 31 35 48 31 36 46 35 4e 4f 32 53 32 2f 63 31 2d 36 28 32 29 35 2d 37 2d 38 28 31 | =1S/C15H16F5NO2S2/c1-6(2)5-7-8(1 |
338c0 | 33 28 32 32 29 32 34 2d 33 29 31 30 28 31 32 28 31 36 29 31 37 29 32 31 2d 31 31 28 31 35 28 31 | 3(22)24-3)10(12(16)17)21-11(15(1 |
338e0 | 38 2c 31 39 29 32 30 29 39 28 37 29 31 34 28 32 33 29 32 35 2d 34 2f 68 36 2c 31 32 48 2c 35 48 | 8,19)20)9(7)14(23)25-4/h6,12H,5H |
33900 | 32 2c 31 2d 34 48 33 00 00 8b 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 e8 04 77 | 2,1-4H3......._id.V..5+r.5o....w |
33920 | 61 72 6e 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 00 00 04 | arnings.......fingerprints...... |
33940 | 4d 50 32 44 00 7a 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 | MP2D.z....0.....9;1-1-2;2-1-1;2- |
33960 | 31 2d 32 38 3b 00 02 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 | 1-28;..1.(...2;1-1-1;1-1-9;1-1-2 |
33980 | 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 32 00 22 00 00 00 32 38 3b 31 | 8;2-3-1;2-1-2;2-1-3;..2."...28;1 |
339a0 | 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 2d 39 3b 00 02 33 | -2-2;1-1-3;2-2-1;2-2-3;2-2-9;..3 |
339c0 | 00 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 | .....3;1-2-3;1-1-28;2-2-2;2-2-3; |
339e0 | 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 3b 32 2d 31 | ..4.....3;1-2-3;2-2-3;2-1-15;2-1 |
33a00 | 2d 32 38 3b 00 02 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 | -28;..5.....3;1-2-3;1-1-15;2-2-3 |
33a20 | 3b 00 02 36 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 16 00 00 00 | ;..6.....15;1-1-3;2-2-3;..7..... |
33a40 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 38 00 28 00 00 00 31 3b 31 | 3;1-2-3;2-2-3;2-2-15;..8.(...1;1 |
33a60 | 2d 33 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 32 2d 31 | -3-1;1-1-2;2-3-1;2-1-2;2-1-9;2-1 |
33a80 | 2d 32 38 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 2d 32 3b | -28;..9.....1;1-1-1;2-2-1;2-1-2; |
33aa0 | 00 02 31 30 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b 32 2d 32 2d 32 3b 00 00 00 | ..10.....1;1-2-1;2-4-1;2-2-2;... |
33ac0 | 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 | .dataset_ids......0.V..4+r.5o... |
33ae0 | 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 | .1.V..9+r.5o....2.V..;+r.5o....3 |
33b00 | 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 | .V..<+r.5o....4.V..=+r.5o....5.V |
33b20 | ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c | ..>+r.5o....6.V..?+r.5o....7.V.. |
33b40 | 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b | @+r.5o....8.V..A+r.5o....9.V..B+ |
33b60 | 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 | r.5o....10.V..C+r.5o.....feature |
33b80 | 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 | s./....56ba0c342b72ed356f000000. |
33ba0 | 10 00 00 00 01 30 00 6f d3 77 c2 74 07 ab 3f 00 00 02 73 6d 69 6c 65 73 00 29 00 00 00 4f 3d 43 | .....0.o.w.t..?...smiles.)...O=C |
33bc0 | 31 4e 28 63 32 63 63 28 43 6c 29 63 63 28 63 32 29 43 6c 29 43 28 3d 4f 29 43 32 28 43 31 28 43 | 1N(c2cc(Cl)cc(c2)Cl)C(=O)C2(C1(C |
33be0 | 29 43 32 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 56 e8 bf c6 52 01 00 00 09 63 72 65 61 74 | )C2)C..updated_at.V...R....creat |
33c00 | 65 64 5f 61 74 00 f9 b1 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at.....R....default_fingerpri |
33c20 | 6e 74 5f 73 69 7a 65 00 0b 00 00 00 02 69 6e 63 68 69 00 5c 00 00 00 49 6e 43 68 49 3d 31 53 2f | nt_size......inchi.\...InChI=1S/ |
33c40 | 43 31 33 48 31 31 43 6c 32 4e 4f 32 2f 63 31 2d 31 32 2d 36 2d 31 33 28 31 32 2c 32 29 31 31 28 | C13H11Cl2NO2/c1-12-6-13(12,2)11( |
33c60 | 31 38 29 31 36 28 31 30 28 31 32 29 31 37 29 39 2d 34 2d 37 28 31 34 29 33 2d 38 28 31 35 29 35 | 18)16(10(12)17)9-4-7(14)3-8(15)5 |
33c80 | 2d 39 2f 68 33 2d 35 48 2c 36 48 32 2c 31 2d 32 48 33 00 00 f5 04 00 00 07 5f 69 64 00 56 ba 0c | -9/h3-5H,6H2,1-2H3......._id.V.. |
33ca0 | 35 2b 72 ed 35 6f 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 | 5+r.5o....warnings.......fingerp |
33cc0 | 72 69 6e 74 73 00 e1 02 00 00 04 4d 50 32 44 00 d6 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 | rints......MP2D......0.....1;1-1 |
33ce0 | 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 32 | -8;2-1-2;..1.....8;1-1-1;1-1-2;2 |
33d00 | 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 31 2d 38 | -1-3;2-1-9;..2.!...2;1-1-3;1-1-8 |
33d20 | 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 31 2d 31 | ;1-1-9;2-1-1;2-2-3;..3.....9;1-1 |
33d40 | 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b 31 | -2;2-1-3;2-1-8;..4.'...3;1-1-2;1 |
33d60 | 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 35 | -2-3;2-1-2;2-2-3;2-1-8;2-1-9;..5 |
33d80 | 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 15 00 00 | .....3;1-2-3;2-1-2;2-2-3;..6.... |
33da0 | 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 15 00 00 00 33 3b 31 | .3;1-2-3;2-1-1;2-2-3;..7.....3;1 |
33dc0 | 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 1b 00 00 00 33 3b 31 2d 32 2d 33 | -1-1;1-2-3;2-2-3;..8.....3;1-2-3 |
33de0 | 3b 32 2d 31 2d 31 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 | ;2-1-1;2-1-2;2-2-3;..9.(...3;1-1 |
33e00 | 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 36 3b 32 2d 31 2d 32 | -2;1-2-3;2-1-2;2-2-3;2-1-6;2-1-2 |
33e20 | 38 3b 00 02 31 30 00 28 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 36 3b 31 2d 31 2d 32 38 3b | 8;..10.(...2;1-1-3;1-1-6;1-1-28; |
33e40 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 31 00 28 00 00 00 36 3b 31 2d 31 | 2-1-1;2-1-2;2-2-3;..11.(...6;1-1 |
33e60 | 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 31 2d 32 | -1;1-1-2;2-2-1;2-1-2;2-1-3;2-1-2 |
33e80 | 38 3b 00 02 31 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 | 8;..12.....1;1-2-1;1-1-2;1-1-6;2 |
33ea0 | 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 33 00 28 00 00 | -2-1;2-1-2;2-1-9;2-1-28;..13.(.. |
33ec0 | 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- |
33ee0 | 32 3b 32 2d 31 2d 36 3b 00 02 31 34 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 | 2;2-1-6;..14.....9;1-1-2;2-1-1;2 |
33f00 | 2d 31 2d 32 38 3b 00 02 31 35 00 22 00 00 00 32 38 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d | -1-28;..15."...28;1-2-2;2-1-1;2- |
33f20 | 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 39 3b 00 02 31 36 00 1b 00 00 00 31 3b 31 2d 31 2d 31 | 1-3;2-1-6;2-1-9;..16.....1;1-1-1 |
33f40 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 31 37 00 1b 00 00 00 31 3b 31 2d | ;2-1-1;2-1-2;2-1-6;..17.....1;1- |
33f60 | 33 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 31 38 00 0f 00 00 00 31 | 3-1;2-1-1;2-1-2;2-1-6;..18.....1 |
33f80 | 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 39 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d | ;1-1-1;2-2-1;..19.....1;1-1-3;2- |
33fa0 | 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b | 2-3;....dataset_ids......0.V..4+ |
33fc0 | 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed | r.5o....1.V..:+r.5o....2.V..;+r. |
33fe0 | 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f | 5o....3.V..<+r.5o....4.V..=+r.5o |
34000 | 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 | ....5.V..>+r.5o....6.V..?+r.5o.. |
34020 | cb 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 | ..7.V..@+r.5o....8.V..A+r.5o.... |
34040 | 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 | 9.V..B+r.5o....10.V..C+r.5o..... |
34060 | 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 | features./....56ba0c342b72ed356f |
34080 | 30 30 30 30 30 30 00 10 00 00 00 01 30 00 ab ae d7 33 26 32 c6 3f 00 00 02 73 6d 69 6c 65 73 00 | 000000......0....3&2.?...smiles. |
340a0 | 29 00 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 | )...COC(=O)c1ccc(cc1C1=NC(C(=O)N |
340c0 | 31 29 28 43 29 43 28 43 29 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 96 e9 bf c6 52 01 00 | 1)(C)C(C)C)C..updated_at.....R.. |
340e0 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 ff b1 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at.....R....default_fi |
34100 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 14 00 00 00 02 69 6e 63 68 69 00 6a 00 00 00 49 6e | ngerprint_size......inchi.j...In |
34120 | 43 68 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 | ChI=1S/C16H20N2O3/c1-9(2)16(4)15 |
34140 | 28 32 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 | (20)17-13(18-16)12-8-10(3)6-7-11 |
34160 | 28 31 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 | (12)14(19)21-5/h6-9H,1-5H3,(H,17 |
34180 | 2c 31 38 2c 32 30 29 00 00 cc 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 ea 04 77 | ,18,20)......._id.V..5+r.5o....w |
341a0 | 61 72 6e 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 01 00 00 04 | arnings.......fingerprints...... |
341c0 | 4d 50 32 44 00 d7 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;. |
341e0 | 02 31 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 | .1.....8;1-1-1;1-1-12;2-2-8;2-1- |
34200 | 31 38 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 | 18;..2.....12;1-3-8;1-1-18;2-2-1 |
34220 | 3b 32 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 | ;2-1-3;..3.....18;1-1-12;2-3-8;. |
34240 | 02 34 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 | .4.*...8;1-1-3;1-1-12;2-1-3;2-2- |
34260 | 38 3b 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 | 8;2-1-11;2-1-18;..5.*...3;1-1-3; |
34280 | 31 2d 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 | 1-1-8;1-1-11;2-2-3;2-1-12;2-1-15 |
342a0 | 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 38 3b 32 2d | ;..6.....11;1-2-3;2-2-3;2-1-8;2- |
342c0 | 31 2d 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 | 1-15;..7.$...3;1-1-3;1-1-11;1-1- |
342e0 | 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 38 00 17 00 00 00 31 35 3b 31 2d 31 2d 33 | 15;2-2-3;2-1-15;..8.....15;1-1-3 |
34300 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 39 00 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | ;2-1-3;2-1-11;..9.$...3;1-2-3;1- |
34320 | 31 2d 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 | 1-15;2-1-3;2-1-11;2-1-15;..10... |
34340 | 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 31 00 23 00 00 00 | ..3;1-2-3;2-2-3;2-2-15;..11.#... |
34360 | 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 38 3b 32 2d 31 2d 31 | 3;1-2-3;1-1-15;2-1-3;2-1-8;2-1-1 |
34380 | 31 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 00 04 64 61 | 1;..12.....15;1-1-3;2-2-3;....da |
343a0 | 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 | taset_ids......0.V..4+r.5o....1. |
343c0 | 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 56 ba | V..:+r.5o....2.V..:+r.5o....3.V. |
343e0 | 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e | .<+r.5o....4.V..=+r.5o....5.V..> |
34400 | 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 | +r.5o....6.V..?+r.5o....7.V..@+r |
34420 | ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 | .5o....8.V..A+r.5o....9.V..B+r.5 |
34440 | 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f | o....10.V..C+r.5o.....features./ |
34460 | 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 | ....56ba0c342b72ed356f000000.... |
34480 | 00 01 30 00 99 70 f3 b7 98 0c 83 3f 00 00 02 73 6d 69 6c 65 73 00 1f 00 00 00 43 4f 50 28 3d 53 | ..0..p.....?...smiles.....COP(=S |
344a0 | 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 74 65 | )(Oc1nc(Cl)c(cc1Cl)Cl)OC..update |
344c0 | 64 5f 61 74 00 ae e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 04 b2 bf c6 52 01 00 | d_at.....R....created_at.....R.. |
344e0 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0d 00 00 00 02 | ..default_fingerprint_size...... |
34500 | 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 53 2f | inchi.J...InChI=1S/C7H7Cl3NO3PS/ |
34520 | 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 38 29 | c1-12-15(16,13-2)14-7-5(9)3-4(8) |
34540 | 36 28 31 30 29 31 31 2d 37 2f 68 33 48 2c 31 2d 32 48 33 00 00 62 05 00 00 07 5f 69 64 00 56 ba | 6(10)11-7/h3H,1-2H3..b...._id.V. |
34560 | 0c 35 2b 72 ed 35 6f 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 | .5+r.5o....warnings.......finger |
34580 | 70 72 69 6e 74 73 00 3b 03 00 00 04 4d 50 32 44 00 30 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d | prints.;....MP2D.0....0.....1;1- |
345a0 | 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; |
345c0 | 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 31 2d | 2-1-3;2-1-9;..2.!...2;1-1-3;1-1- |
345e0 | 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 31 2d | 8;1-1-9;2-1-1;2-2-3;..3.....9;1- |
34600 | 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 32 3b | 1-2;2-1-3;2-1-8;..4.....3;1-1-2; |
34620 | 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 32 2d | 1-2-3;2-2-1;2-1-3;2-1-8;2-1-9;2- |
34640 | 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 2d 31 | 1-11;..5.)...3;1-1-1;1-1-3;1-1-1 |
34660 | 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 31 3b | 1;2-1-2;2-2-3;2-2-16;..6.....11; |
34680 | 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 31 2d | 1-2-3;2-2-1;2-2-3;..7.)...3;1-1- |
346a0 | 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 2d 31 | 1;1-1-3;1-1-11;2-1-2;2-2-3;2-3-1 |
346c0 | 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 32 2d | 6;..8./...3;1-1-2;1-2-3;2-2-1;2- |
346e0 | 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 00 00 | 1-3;2-1-6;2-1-10;2-1-11;..9.!... |
34700 | 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 33 3b | 3;1-1-1;1-2-3;2-1-1;2-2-2;2-2-3; |
34720 | 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 2d 32 | ..10.....1;1-1-1;1-1-3;2-2-1;2-2 |
34740 | 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 00 0f | -3;..11.....1;1-3-1;2-1-3;..12.. |
34760 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 33 00 22 00 00 00 32 3b 31 2d 31 2d | ...1;1-1-1;2-2-1;..13."...2;1-1- |
34780 | 33 3b 31 2d 31 2d 36 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 34 00 | 3;1-1-6;1-1-10;2-2-1;2-2-3;..14. |
347a0 | 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 33 3b 32 2d | "...6;1-1-1;1-1-2;2-1-1;2-1-3;2- |
347c0 | 31 2d 31 30 3b 00 02 31 35 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d | 1-10;..15.....1;1-1-1;1-1-6;2-1- |
347e0 | 32 3b 32 2d 31 2d 31 30 3b 00 02 31 36 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 | 2;2-1-10;..16.....1;1-1-1;1-1-10 |
34800 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 36 3b 00 02 31 37 00 22 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 | ;2-1-2;2-1-6;..17."...10;1-1-1;1 |
34820 | 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 38 00 1d 00 00 00 | -1-2;2-1-1;2-1-3;2-1-6;..18..... |
34840 | 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 39 | 1;1-1-3;1-3-16;2-1-3;2-1-11;..19 |
34860 | 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 30 00 | .....16;1-1-1;2-1-3;2-2-16;..20. |
34880 | 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; |
348a0 | 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 31 2d 31 36 3b 00 | ..21.....16;1-1-1;2-1-3;2-1-16;. |
348c0 | 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 | ...dataset_ids......0.V..4+r.5o. |
348e0 | 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 | ...1.V..:+r.5o....2.V..;+r.5o... |
34900 | 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 | .3.V..<+r.5o....4.V..=+r.5o....5 |
34920 | 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 | .V..>+r.5o....6.V..?+r.5o....7.V |
34940 | ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c | ..@+r.5o....8.V..A+r.5o....9.V.. |
34960 | 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 00 03 66 65 61 74 75 | B+r.5o....10.V..C+r.5o.....featu |
34980 | 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 | res./....56ba0c342b72ed356f00000 |
349a0 | 30 00 10 00 00 00 01 30 00 71 0f 55 f0 f2 8b bc 3f 00 00 02 73 6d 69 6c 65 73 00 31 00 00 00 43 | 0......0.q.U....?...smiles.1...C |
349c0 | 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 4e 43 43 53 31 | OC(=O)c1c(nc(c(c1CC(C)C)C1=NCCS1 |
349e0 | 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 00 6b e6 bf c6 | )C(F)(F)F)C(F)F..updated_at.k... |
34a00 | 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 0a b2 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 | R....created_at.....R....default |
34a20 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 16 00 00 00 02 69 6e 63 68 69 00 75 00 00 | _fingerprint_size......inchi.u.. |
34a40 | 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 37 28 32 29 36 | .InChI=1S/C16H17F5N2O2S/c1-7(2)6 |
34a60 | 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 29 32 33 2d 31 | -8-9(15(24)25-3)11(13(17)18)23-1 |
34a80 | 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 35 2d 32 36 2d | 2(16(19,20)21)10(8)14-22-4-5-26- |
34aa0 | 31 34 2f 68 37 2c 31 33 48 2c 34 2d 36 48 32 2c 31 2d 33 48 33 00 00 b1 05 00 00 07 5f 69 64 00 | 14/h7,13H,4-6H2,1-3H3......._id. |
34ac0 | 56 ba 0c 35 2b 72 ed 35 6f 00 00 ec 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..5+r.5o....warnings.......fing |
34ae0 | 65 72 70 72 69 6e 74 73 00 83 03 00 00 04 4d 50 32 44 00 78 03 00 00 02 30 00 0f 00 00 00 31 3b | erprints......MP2D.x....0.....1; |
34b00 | 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- |
34b20 | 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- |
34b40 | 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 2d 31 2d 38 3b | 2-1;2-1-9;..3."...2;1-1-1;1-1-8; |
34b60 | 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 39 3b 31 2d 31 | 1-1-9;2-2-1;2-1-15;..4.....9;1-1 |
34b80 | 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 31 2d 31 3b 31 | -2;2-1-1;2-1-8;..5.(...1;1-1-1;1 |
34ba0 | 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 2d 39 3b 00 02 | -1-2;1-1-15;2-1-3;2-1-8;2-1-9;.. |
34bc0 | 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 2d 32 2d 33 3b | 6."...1;1-1-1;1-1-3;2-1-2;2-2-3; |
34be0 | 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 33 3b 32 2d 31 | 2-1-15;..7."...3;1-1-1;1-2-3;2-1 |
34c00 | 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 2d 32 2d 33 3b | -1;2-2-3;2-1-15;..8.....3;1-2-3; |
34c20 | 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 33 3b 31 2d 32 | 2-1-1;2-2-3;2-1-11;..9.$...3;1-2 |
34c40 | 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 36 3b 00 02 | -3;1-1-11;2-3-3;2-1-11;2-1-16;.. |
34c60 | 31 30 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 36 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 10.....3;1-2-3;1-1-16;2-2-3;2-1- |
34c80 | 31 31 3b 00 02 31 31 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 | 11;..11.....3;1-2-3;2-2-3;2-1-15 |
34ca0 | 3b 32 2d 31 2d 31 36 3b 00 02 31 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b | ;2-1-16;..12.....3;1-2-3;1-1-15; |
34cc0 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 33 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d | 2-1-1;2-2-3;..13.....15;1-1-3;2- |
34ce0 | 32 2d 33 3b 00 02 31 34 00 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 | 2-3;..14.....16;1-1-3;2-2-3;..15 |
34d00 | 00 24 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 | .$...11;1-2-3;1-1-11;2-3-3;2-1-9 |
34d20 | 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 2d 31 2d 31 31 | ;2-1-11;..16.$...11;1-1-3;1-1-11 |
34d40 | 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 00 00 33 3b 31 | ;2-1-1;2-2-3;2-1-11;..17.#...3;1 |
34d60 | 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 2d 31 31 3b 00 | -1-1;1-2-11;2-1-1;2-1-3;2-1-11;. |
34d80 | 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 31 3b 32 2d 31 | .18.*...11;1-1-1;1-2-3;2-1-1;2-1 |
34da0 | 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 3b 31 2d 31 2d | -9;2-2-11;2-2-16;..19.#...3;1-1- |
34dc0 | 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 3b 00 02 32 30 | 9;1-2-11;2-1-1;2-2-3;2-1-11;..20 |
34de0 | 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 00 00 31 3b 31 | .....9;1-1-3;2-2-11;..21.....1;1 |
34e00 | 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 00 31 36 3b 31 | -1-11;1-2-16;2-2-3;..22.....16;1 |
34e20 | 2d 31 2d 31 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 36 3b 00 02 32 33 00 10 00 00 00 31 3b 31 2d | -1-1;2-1-11;2-1-16;..23.....1;1- |
34e40 | 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 32 34 00 16 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 | 1-3;2-2-11;..24.....15;1-1-1;2-1 |
34e60 | 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 | -1;2-1-2;....dataset_ids......0. |
34e80 | 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba | V..4+r.5o....1.V..:+r.5o....2.V. |
34ea0 | 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3d | .;+r.5o....3.V..;+r.5o....4.V..= |
34ec0 | 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 | +r.5o....5.V..>+r.5o....6.V..?+r |
34ee0 | ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 | .5o....7.V..@+r.5o....8.V..A+r.5 |
34f00 | 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f | o....9.V..B+r.5o....10.V..C+r.5o |
34f20 | 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 | .....features./....56ba0c342b72e |
34f40 | 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 7d e6 2a 92 b8 cf 9d 3f 00 00 02 73 6d | d356f000000......0.}.*....?...sm |
34f60 | 69 6c 65 73 00 31 00 00 00 43 43 4f 43 28 3d 4f 29 43 28 43 63 31 63 63 28 63 28 63 63 31 43 6c | iles.1...CCOC(=O)C(Cc1cc(c(cc1Cl |
34f80 | 29 46 29 6e 31 6e 63 28 6e 28 63 31 3d 4f 29 43 28 46 29 46 29 43 29 43 6c 00 09 75 70 64 61 74 | )F)n1nc(n(c1=O)C(F)F)C)Cl..updat |
34fa0 | 65 64 5f 61 74 00 d6 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 10 b2 bf c6 52 01 | ed_at.....R....created_at.....R. |
34fc0 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 19 00 00 00 | ...default_fingerprint_size..... |
34fe0 | 02 69 6e 63 68 69 00 7c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 31 34 43 6c 32 46 33 4e | .inchi.|...InChI=1S/C15H14Cl2F3N |
35000 | 33 4f 33 2f 63 31 2d 33 2d 32 36 2d 31 33 28 32 34 29 31 30 28 31 37 29 34 2d 38 2d 35 2d 31 32 | 3O3/c1-3-26-13(24)10(17)4-8-5-12 |
35020 | 28 31 31 28 31 38 29 36 2d 39 28 38 29 31 36 29 32 33 2d 31 35 28 32 35 29 32 32 28 31 34 28 31 | (11(18)6-9(8)16)23-15(25)22(14(1 |
35040 | 39 29 32 30 29 37 28 32 29 32 31 2d 32 33 2f 68 35 2d 36 2c 31 30 2c 31 34 48 2c 33 2d 34 48 32 | 9)20)7(2)21-23/h5-6,10,14H,3-4H2 |
35060 | 2c 31 2d 32 48 33 00 00 b8 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 ed 04 77 61 | ,1-2H3......._id.V..5+r.5o....wa |
35080 | 72 6e 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 02 00 00 04 4d | rnings.......fingerprints......M |
350a0 | 50 32 44 00 81 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 31 | P2D......0.....1;1-1-2;2-1-1;2-1 |
350c0 | 2d 32 3b 00 02 31 00 15 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 00 | -2;..1.....2;1-2-1;1-1-2;2-1-1;. |
350e0 | 02 32 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 00 02 33 00 1b | .2.....2;1-1-1;1-1-2;2-4-1;..3.. |
35100 | 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 32 2d 32 3b 00 02 34 | ...1;1-2-1;1-1-2;2-4-1;2-2-2;..4 |
35120 | 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 3b 32 | .'...1;1-2-1;1-1-2;2-4-1;2-1-2;2 |
35140 | 2d 31 2d 38 3b 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 | -1-8;2-1-9;..5.....1;1-4-1;2-2-1 |
35160 | 3b 32 2d 32 2d 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 | ;2-2-2;..6.....1;1-1-1;2-3-1;..7 |
35180 | 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 3b 00 | .....2;1-1-1;1-1-8;1-1-9;2-3-1;. |
351a0 | 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 21 | .8.....9;1-1-2;2-1-1;2-1-8;..9.! |
351c0 | 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 2d 31 | ...8;1-1-1;1-1-2;2-1-1;2-1-3;2-1 |
351e0 | 2d 39 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 32 3b | -9;..10.....1;1-1-3;1-1-8;2-1-2; |
35200 | 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 33 3b 32 2d 31 | 2-2-3;..11.!...3;1-1-1;1-2-3;2-1 |
35220 | 2d 33 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 31 2d 33 3b | -3;2-1-8;2-1-9;..12.....3;1-1-3; |
35240 | 31 2d 31 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 32 | 1-1-9;2-1-1;2-2-3;..13.....9;1-2 |
35260 | 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 34 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b | -3;2-1-1;2-2-3;..14.....3;1-1-1; |
35280 | 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 33 2d 33 3b 00 02 31 35 00 1b 00 00 00 33 3b 31 2d 32 | 1-1-3;1-1-9;2-3-3;..15.....3;1-2 |
352a0 | 2d 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 36 00 15 00 00 00 31 3b | -3;2-2-1;2-1-3;2-1-9;..16.....1; |
352c0 | 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 37 00 15 00 00 00 33 3b 31 2d 31 | 1-2-3;2-3-3;2-1-9;..17.....3;1-1 |
352e0 | 2d 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | -1;1-2-3;2-3-3;..18.....3;1-2-3; |
35300 | 32 2d 31 2d 31 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 | 2-1-1;2-2-3;..19.....3;1-2-3;2-2 |
35320 | 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 | -3;....dataset_ids......0.V..4+r |
35340 | ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 | .5o....1.V..:+r.5o....2.V..;+r.5 |
35360 | 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 | o....3.V..<+r.5o....4.V..<+r.5o. |
35380 | 01 c7 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc | ...5.V..>+r.5o....6.V..?+r.5o... |
353a0 | 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 | .7.V..@+r.5o....8.V..A+r.5o....9 |
353c0 | 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 | .V..B+r.5o....10.V..C+r.5o.....f |
353e0 | 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 | eatures./....56ba0c342b72ed356f0 |
35400 | 30 30 30 30 30 00 10 00 00 00 01 30 00 5a 61 11 20 4b a3 d7 3f 00 00 02 73 6d 69 6c 65 73 00 2c | 00000......0.Za..K..?...smiles., |
35420 | 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 63 28 | ...CC(=CC1C(C1(C)C)C(=O)OCc1coc( |
35440 | 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 45 e9 bf c6 52 | c1)Cc1ccccc1)C..updated_at.E...R |
35460 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 16 b2 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.....R....default_ |
35480 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 14 00 00 00 02 69 6e 63 68 69 00 7f 00 00 00 | fingerprint_size......inchi..... |
354a0 | 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 39 2d | InChI=1S/C22H26O3/c1-15(2)10-19- |
354c0 | 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 2d 31 | 20(22(19,3)4)21(23)25-14-17-12-1 |
354e0 | 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 68 35 | 8(24-13-17)11-16-8-6-5-7-9-16/h5 |
35500 | 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 00 00 | -10,12-13,19-20H,11,14H2,1-4H3.. |
35520 | 1c 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 ee 04 77 61 72 6e 69 6e 67 73 00 05 | ....._id.V..5+r.5o....warnings.. |
35540 | 00 00 00 00 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 | .....fingerprints.$....MP2D..... |
35560 | 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 3b 31 | .0.....1;1-1-1;2-1-1;..1.....1;1 |
35580 | 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 31 2d | -2-1;2-1-10;..2.....1;1-1-1;1-1- |
355a0 | 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 2d 31 | 10;2-1-1;2-1-12;..3.$...10;1-1-1 |
355c0 | 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 38 3b 00 02 34 00 24 | ;1-1-12;2-1-1;2-2-8;2-1-18;..4.$ |
355e0 | 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 31 3b | ...12;1-2-8;1-1-10;1-1-18;2-2-1; |
35600 | 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 32 2d | 2-1-3;..5.....18;1-1-12;2-2-8;2- |
35620 | 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 32 2d | 1-10;..6.*...8;1-1-3;1-1-12;2-2- |
35640 | 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 33 3b | 3;2-1-8;2-1-10;2-1-18;..7.....3; |
35660 | 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 00 00 | 1-2-3;1-1-8;2-2-3;2-1-12;..8.... |
35680 | 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 3b 31 | .3;1-2-3;2-2-3;2-1-8;..9.....3;1 |
356a0 | 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 2d 32 | -2-3;2-2-3;2-1-10;..10.....3;1-2 |
356c0 | 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 00 31 | -3;1-1-10;2-1-1;2-2-3;..11.....1 |
356e0 | 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 10 00 00 00 31 3b 31 | 0;1-1-1;1-1-3;2-2-3;..12.....1;1 |
35700 | 2d 31 2d 31 30 3b 32 2d 31 2d 33 3b 00 02 31 33 00 2a 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 | -1-10;2-1-3;..13.*...8;1-1-1;1-1 |
35720 | 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;.. |
35740 | 31 34 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 35 | 14.....1;1-1-1;1-1-8;2-1-12;..15 |
35760 | 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 | .....1;1-1-1;2-1-8;....dataset_i |
35780 | 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed | ds......0.V..4+r.5o....1.V..:+r. |
357a0 | 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f | 5o....2.V..;+r.5o....3.V..<+r.5o |
357c0 | 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 | ....4.V..=+r.5o....5.V..>+r.5o.. |
357e0 | ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 | ..6.V..?+r.5o....7.V..@+r.5o.... |
35800 | 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 | 8.V..A+r.5o....9.V..B+r.5o....10 |
35820 | 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 | .V..C+r.5o.....features./....56b |
35840 | 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 47 98 61 | a0c342b72ed356f000000......0.G.a |
35860 | f7 a7 42 a2 3f 00 00 02 73 6d 69 6c 65 73 00 1c 00 00 00 43 43 43 53 50 28 3d 53 29 28 4f 63 31 | ..B.?...smiles.....CCCSP(=S)(Oc1 |
35880 | 63 63 63 28 63 63 31 29 53 43 29 4f 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 91 e9 bf c6 52 | ccc(cc1)SC)OCC..updated_at.....R |
358a0 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 1c b2 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.....R....default_ |
358c0 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 10 00 00 00 02 69 6e 63 68 69 00 5b 00 00 00 | fingerprint_size......inchi.[... |
358e0 | 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 39 4f 32 50 53 33 2f 63 31 2d 34 2d 31 30 2d 31 38 2d | InChI=1S/C12H19O2PS3/c1-4-10-18- |
35900 | 31 35 28 31 36 2c 31 33 2d 35 2d 32 29 31 34 2d 31 31 2d 36 2d 38 2d 31 32 28 31 37 2d 33 29 39 | 15(16,13-5-2)14-11-6-8-12(17-3)9 |
35920 | 2d 37 2d 31 31 2f 68 36 2d 39 48 2c 34 2d 35 2c 31 30 48 32 2c 31 2d 33 48 33 00 00 83 03 00 00 | -7-11/h6-9H,4-5,10H2,1-3H3...... |
35940 | 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 ef 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V..5+r.5o....warnings...... |
35960 | 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 10 | .fingerprints......MP2D......0.. |
35980 | 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 |
359a0 | 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 |
359c0 | 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 00 02 | -1-8;1-1-9;1-1-28;2-1-1;2-1-3;.. |
359e0 | 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." |
35a00 | 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 2d 31 | ...8;1-1-2;1-1-3;2-2-3;2-1-9;2-1 |
35a20 | 2d 32 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 31 2d 31 3b | -28;..5.!...3;1-2-3;1-1-8;2-1-1; |
35a40 | 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 2d 31 2d | 2-1-2;2-2-3;..6.....3;1-2-3;2-1- |
35a60 | 31 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 31 2d 31 3b 31 2d | 1;2-2-3;2-1-8;..7.....3;1-1-1;1- |
35a80 | 32 2d 33 3b 32 2d 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 | 2-3;2-2-3;..8.....1;1-1-3;2-2-3; |
35aa0 | 00 02 39 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 31 30 | ..9.....3;1-2-3;2-2-1;2-2-3;..10 |
35ac0 | 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;. |
35ae0 | 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 2d 32 2d | .11.!...3;1-1-1;1-2-3;2-1-1;2-2- |
35b00 | 33 3b 32 2d 31 2d 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 | 3;2-1-8;....dataset_ids......0.V |
35b20 | ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c | ..4+r.5o....1.V..:+r.5o....2.V.. |
35b40 | 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b | ;+r.5o....3.V..<+r.5o....4.V..=+ |
35b60 | 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed | r.5o....5.V..>+r.5o....6.V..?+r. |
35b80 | 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f | 5o....7.V..@+r.5o....8.V..A+r.5o |
35ba0 | 00 01 cf 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 | ....9.V..B+r.5o....10.V..C+r.5o. |
35bc0 | 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 | ....features./....56ba0c342b72ed |
35be0 | 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 3e 11 f4 d5 41 9b d3 3f 00 00 02 73 6d 69 | 356f000000......0.>...A..?...smi |
35c00 | 6c 65 73 00 18 00 00 00 43 4e 43 28 3d 4f 29 4f 63 31 63 63 28 43 29 63 63 28 63 31 43 29 43 00 | les.....CNC(=O)Oc1cc(C)cc(c1C)C. |
35c20 | 09 75 70 64 61 74 65 64 5f 61 74 00 1f ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at.....R....created_at. |
35c40 | 21 b2 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | !...R....default_fingerprint_siz |
35c60 | 65 00 0c 00 00 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 35 | e......inchi.M...InChI=1S/C11H15 |
35c80 | 4e 4f 32 2f 63 31 2d 37 2d 35 2d 38 28 32 29 39 28 33 29 31 30 28 36 2d 37 29 31 34 2d 31 31 28 | NO2/c1-7-5-8(2)9(3)10(6-7)14-11( |
35ca0 | 31 33 29 31 32 2d 34 2f 68 35 2d 36 48 2c 31 2d 34 48 33 2c 28 48 2c 31 32 2c 31 33 29 00 00 ee | 13)12-4/h5-6H,1-4H3,(H,12,13)... |
35cc0 | 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 f0 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..5+r.5o....warnings... |
35ce0 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 e2 01 00 00 04 4d 50 32 44 00 d7 01 00 00 02 | ....fingerprints......MP2D...... |
35d00 | 30 00 0f 00 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 | 0.....1;1-1-1;2-2-1;..1.....1;1- |
35d20 | 33 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b | 3-1;2-2-1;2-1-8;..2.....1;1-3-1; |
35d40 | 31 2d 31 2d 38 3b 32 2d 35 2d 31 3b 00 02 33 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d | 1-1-8;2-5-1;..3.....1;1-2-1;2-3- |
35d60 | 31 3b 32 2d 31 2d 38 3b 00 02 34 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 38 3b 32 2d | 1;2-1-8;..4.....1;1-3-1;1-1-8;2- |
35d80 | 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 36 2d 31 3b | 3-1;2-1-8;..5.....8;1-2-1;2-6-1; |
35da0 | 00 02 36 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 | ..6.....1;1-2-1;1-1-8;2-4-1;2-1- |
35dc0 | 38 3b 00 02 37 00 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 32 2d 38 3b 00 02 | 8;..7.....1;1-2-1;2-3-1;2-2-8;.. |
35de0 | 38 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 39 00 1b 00 | 8.....8;1-2-1;2-2-1;2-1-3;..9... |
35e00 | 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 33 3b 00 02 31 30 | ..1;1-1-3;1-1-8;2-1-1;2-2-3;..10 |
35e20 | 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 |
35e40 | 2d 31 2d 38 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 | -1-8;..11.....3;1-2-3;2-1-1;2-2- |
35e60 | 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 1b 00 | 3;..12.....3;1-2-3;2-2-3;..13... |
35e80 | 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 34 | ..3;1-1-1;1-2-3;2-1-1;2-2-3;..14 |
35ea0 | 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 15 00 00 00 31 3b 31 2d | .....1;1-1-3;2-2-3;..15.....1;1- |
35ec0 | 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 | 1-1;2-2-1;2-1-8;....dataset_ids. |
35ee0 | ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 | .....0.V..4+r.5o....1.V..9+r.5o. |
35f00 | 01 c1 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 | ...2.V..;+r.5o....3.V..<+r.5o... |
35f20 | 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 | .4.V..=+r.5o....5.V..>+r.5o....6 |
35f40 | 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 | .V..?+r.5o....7.V..@+r.5o....8.V |
35f60 | ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba | ..A+r.5o....9.V..B+r.5o....10.V. |
35f80 | 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 | .C+r.5o.....features./....56ba0c |
35fa0 | 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 c7 89 49 5b 2b 7e | 342b72ed356f000000......0...I[+~ |
35fc0 | e1 3f 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( |
35fe0 | 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 3c | C1)OCc1ccccc1C)C)C..updated_at.< |
36000 | e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 27 b2 bf c6 52 01 00 00 10 64 65 66 61 | ...R....created_at.'...R....defa |
36020 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 10 00 00 00 02 69 6e 63 68 69 00 | ult_fingerprint_size......inchi. |
36040 | 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 |
36060 | 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- |
36080 | 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 |
360a0 | 2d 31 32 48 32 2c 31 2d 34 48 33 00 00 96 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 | -12H2,1-4H3......._id.V..5+r.5o. |
360c0 | 00 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 c0 | ...warnings.......fingerprints.. |
360e0 | 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- |
36100 | 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- |
36120 | 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 |
36140 | 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 |
36160 | 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- |
36180 | 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.#... |
361a0 | 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 |
361c0 | 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; |
361e0 | 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- |
36200 | 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 |
36220 | 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- |
36240 | 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..... |
36260 | 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 |
36280 | 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 04 | 2.....18;1-2-3;2-2-3;2-2-11;.... |
362a0 | 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 | dataset_ids......0.V..4+r.5o.... |
362c0 | 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 | 1.V..:+r.5o....2.V..;+r.5o....3. |
362e0 | 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba | V..<+r.5o....4.V..=+r.5o....5.V. |
36300 | 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 37 00 56 ba 0c 40 | .>+r.5o....6.V..?+r.5o....7.V..@ |
36320 | 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 | +r.5o....8.V..A+r.5o....9.V..B+r |
36340 | ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 | .5o....10.V..C+r.5o.....features |
36360 | 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 | ./....56ba0c342b72ed356f000000.. |
36380 | 00 00 00 01 30 00 2d 7d 4d 35 ea f7 c4 3f 00 00 02 73 6d 69 6c 65 73 00 14 00 00 00 43 63 31 63 | ....0.-}M5...?...smiles.....Cc1c |
363a0 | 63 63 63 32 63 31 6e 31 63 6e 6e 63 31 73 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 b9 e9 bf c6 | ccc2c1n1cnnc1s2..updated_at..... |
363c0 | 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 2c b2 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 | R....created_at.,...R....default |
363e0 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0d 00 00 00 02 69 6e 63 68 69 00 41 00 00 | _fingerprint_size......inchi.A.. |
36400 | 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 37 4e 33 53 2f 63 31 2d 36 2d 33 2d 32 2d 34 2d 37 2d 38 | .InChI=1S/C9H7N3S/c1-6-3-2-4-7-8 |
36420 | 28 36 29 31 32 2d 35 2d 31 30 2d 31 31 2d 39 28 31 32 29 31 33 2d 37 2f 68 32 2d 35 48 2c 31 48 | (6)12-5-10-11-9(12)13-7/h2-5H,1H |
36440 | 33 00 00 d4 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 f2 04 77 61 72 6e 69 6e 67 | 3......._id.V..5+r.5o....warning |
36460 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 89 02 00 00 04 4d 50 32 44 00 7e | s.......fingerprints......MP2D.~ |
36480 | 02 00 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 | ....0.....1;1-1-1;2-1-10;..1.... |
364a0 | 00 31 3b 31 2d 31 2d 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 | .1;1-1-1;1-1-10;2-1-1;..2.....10 |
364c0 | 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 33 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 | ;1-2-1;2-3-1;..3.....1;1-2-1;1-1 |
364e0 | 2d 31 30 3b 32 2d 32 2d 31 3b 00 02 34 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b | -10;2-2-1;..4.....1;1-2-1;2-3-1; |
36500 | 32 2d 31 2d 31 30 3b 00 02 35 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 | 2-1-10;..5.....1;1-3-1;2-1-1;2-2 |
36520 | 2d 32 3b 00 02 36 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 | -2;..6.!...1;1-1-1;1-1-2;2-2-1;2 |
36540 | 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 37 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | -1-2;2-1-9;..7.!...2;1-1-1;1-1-2 |
36560 | 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 38 00 15 00 00 00 39 3b 31 2d 31 | ;1-1-9;2-1-1;2-2-2;..8.....9;1-1 |
36580 | 2d 32 3b 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 | -2;2-1-1;2-1-2;..9.....2;1-3-2;2 |
365a0 | 2d 33 2d 31 3b 32 2d 32 2d 39 3b 32 2d 31 2d 33 31 3b 00 02 31 30 00 28 00 00 00 32 3b 31 2d 31 | -3-1;2-2-9;2-1-31;..10.(...2;1-1 |
365c0 | 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 32 3b 32 2d 31 2d | -1;1-1-2;1-1-31;2-1-1;2-2-2;2-1- |
365e0 | 38 3b 00 02 31 31 00 1c 00 00 00 33 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b | 8;..11.....31;1-1-2;1-1-8;2-2-1; |
36600 | 32 2d 31 2d 32 3b 00 02 31 32 00 16 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 31 3b 32 2d | 2-1-2;..12.....8;1-1-1;1-1-31;2- |
36620 | 32 2d 32 3b 00 02 31 33 00 1c 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 | 2-2;..13.....1;1-1-2;1-1-8;2-1-2 |
36640 | 3b 32 2d 31 2d 33 31 3b 00 02 31 34 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 | ;2-1-31;..14.....2;1-1-1;1-1-2;2 |
36660 | 2d 31 2d 38 3b 32 2d 31 2d 31 35 3b 00 02 31 35 00 16 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 | -1-8;2-1-15;..15.....2;1-1-2;1-1 |
36680 | 2d 31 35 3b 32 2d 31 2d 31 3b 00 02 31 36 00 10 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d | -15;2-1-1;..16.....15;1-1-2;2-1- |
366a0 | 32 3b 00 02 31 37 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 | 2;..17.....1;1-1-1;1-1-2;2-1-2;2 |
366c0 | 2d 31 2d 33 31 3b 00 02 31 38 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 | -1-31;..18.....1;1-1-1;2-1-2;..1 |
366e0 | 39 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 04 64 | 9.....1;1-1-1;2-1-1;2-1-10;....d |
36700 | 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 | ataset_ids......0.V..4+r.5o....1 |
36720 | 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 | .V..:+r.5o....2.V..;+r.5o....3.V |
36740 | ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c | ..<+r.5o....4.V..=+r.5o....5.V.. |
36760 | 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b | >+r.5o....6.V..?+r.5o....7.V..@+ |
36780 | 72 ed 35 6f 00 01 cd 07 38 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 39 00 56 ba 0c 41 2b 72 ed | r.5o....8.V..@+r.5o....9.V..A+r. |
367a0 | 35 6f 00 01 d0 07 31 30 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 31 00 56 ba 0c 43 2b 72 ed | 5o....10.V..B+r.5o....11.V..C+r. |
367c0 | 35 6f 00 01 d3 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 | 5o....12.V..C+r.5o.....features. |
367e0 | 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 | :....56ba0c342b72ed356f000000... |
36800 | 00 00 01 30 00 29 eb f8 c5 3b c8 d1 3f 01 31 00 ff 7f 3b 73 d7 95 ce 3f 00 00 02 73 6d 69 6c 65 | ...0.)...;..?.1...;s...?...smile |
36820 | 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 43 43 | s.)...CCSC(CC1CC(=O)C(=C(NOCC=CC |
36840 | 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 ef e9 bf c6 52 | l)CC)C(=O)C1)C..updated_at.....R |
36860 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 32 b2 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.2...R....default_ |
36880 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 14 00 00 00 02 69 6e 63 68 69 00 76 00 00 00 | fingerprint_size......inchi.v... |
368a0 | 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 31 39 | InChI=1S/C17H26ClNO3S/c1-4-14(19 |
368c0 | 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 2d 31 | -22-8-6-7-18)17-15(20)10-13(11-1 |
368e0 | 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 31 33 | 6(17)21)9-12(3)23-5-2/h6-7,12-13 |
36900 | 2c 31 39 48 2c 34 2d 35 2c 38 2d 31 31 48 32 2c 31 2d 33 48 33 00 00 23 03 00 00 07 5f 69 64 00 | ,19H,4-5,8-11H2,1-3H3..#...._id. |
36920 | 56 ba 0c 35 2b 72 ed 35 6f 00 00 f3 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..5+r.5o....warnings.......fing |
36940 | 65 72 70 72 69 6e 74 73 00 2a 01 00 00 04 4d 50 32 44 00 1f 01 00 00 02 30 00 0f 00 00 00 31 3b | erprints.*....MP2D......0.....1; |
36960 | 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 31 2d | 1-1-1;2-1-1;..1.....1;1-2-1;2-1- |
36980 | 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 31 3b | 28;..2.....1;1-1-1;1-1-28;2-2-1; |
369a0 | 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 2d 32 | 2-1-2;..3.#...28;1-2-1;1-1-2;2-2 |
369c0 | 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 39 3b | -1;2-1-9;2-1-10;..4.....2;1-1-9; |
369e0 | 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 31 2d | 1-1-10;1-1-28;2-3-1;..5.....9;1- |
36a00 | 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 2d 31 | 1-2;2-1-10;2-1-28;..6.#...10;1-1 |
36a20 | 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 37 00 | -1;1-1-2;2-1-1;2-1-9;2-1-28;..7. |
36a40 | 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 00 00 | ....1;1-1-1;1-1-10;2-1-2;..8.... |
36a60 | 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 | .1;1-1-1;2-1-10;....dataset_ids. |
36a80 | cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 | .....0.V..4+r.5o....1.V..:+r.5o. |
36aa0 | 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 | ...2.V..;+r.5o....3.V..<+r.5o... |
36ac0 | 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 | .4.V..=+r.5o....5.V..>+r.5o....6 |
36ae0 | 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 | .V..?+r.5o....7.V..@+r.5o....8.V |
36b00 | ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 39 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 30 00 56 ba | ..A+r.5o....9.V..A+r.5o....10.V. |
36b20 | 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba | .B+r.5o....11.V..B+r.5o....12.V. |
36b40 | 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 | .C+r.5o.....features.:....56ba0c |
36b60 | 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 b8 0f fd 01 08 57 | 342b72ed356f000000......0......W |
36b80 | a8 3f 01 31 00 b2 bc ef e4 1a e7 c0 3f 00 00 02 73 6d 69 6c 65 73 00 12 00 00 00 43 43 43 4e 28 | .?.1........?...smiles.....CCCN( |
36ba0 | 43 28 3d 4f 29 53 43 43 29 43 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 5b ea bf c6 52 01 00 | C(=O)SCC)CCC..updated_at.[...R.. |
36bc0 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 37 b2 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at.7...R....default_fi |
36be0 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 09 00 00 00 02 69 6e 63 68 69 00 3b 00 00 00 49 6e | ngerprint_size......inchi.;...In |
36c00 | 43 68 49 3d 31 53 2f 43 39 48 31 39 4e 4f 53 2f 63 31 2d 34 2d 37 2d 31 30 28 38 2d 35 2d 32 29 | ChI=1S/C9H19NOS/c1-4-7-10(8-5-2) |
36c20 | 39 28 31 31 29 31 32 2d 36 2d 33 2f 68 34 2d 38 48 32 2c 31 2d 33 48 33 00 00 69 04 00 00 07 5f | 9(11)12-6-3/h4-8H2,1-3H3..i...._ |
36c40 | 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 f4 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..5+r.5o....warnings.......f |
36c60 | 69 6e 67 65 72 70 72 69 6e 74 73 00 56 02 00 00 04 4d 50 32 44 00 4b 02 00 00 02 30 00 0f 00 00 | ingerprints.V....MP2D.K....0.... |
36c80 | 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 2d 31 3b 32 | .1;1-1-8;2-1-1;..1.....8;1-2-1;2 |
36ca0 | 2d 33 2d 31 3b 00 02 32 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 | -3-1;..2.....1;1-3-1;1-1-8;2-2-1 |
36cc0 | 3b 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 38 3b 00 02 34 | ;..3.....1;1-2-1;2-3-1;2-1-8;..4 |
36ce0 | 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 31 3b 31 2d 32 | .....1;1-2-1;2-2-1;..5.....1;1-2 |
36d00 | 2d 31 3b 32 2d 33 2d 31 3b 00 02 36 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b 32 | -1;2-3-1;..6.....1;1-3-1;2-1-1;2 |
36d20 | 2d 31 2d 32 3b 00 02 37 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;..7.....1;1-1-1;1-1-2;2-2-1 |
36d40 | 3b 32 2d 31 2d 32 3b 00 02 38 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 | ;2-1-2;..8.....2;1-1-1;1-1-2;2-1 |
36d60 | 2d 31 3b 32 2d 31 2d 32 3b 00 02 39 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 32 2d 31 3b 32 | -1;2-1-2;..9.....2;1-2-2;2-2-1;2 |
36d80 | 2d 31 2d 32 3b 00 02 31 30 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 32 2d | -1-2;..10.....2;1-1-1;1-2-2;2-2- |
36da0 | 32 3b 00 02 31 31 00 21 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 | 2;..11.!...2;1-2-2;2-1-1;2-1-2;2 |
36dc0 | 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 32 00 21 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d | -1-8;2-1-9;..12.!...2;1-1-2;1-1- |
36de0 | 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 33 00 15 00 00 00 39 3b 31 | 8;1-1-9;2-1-1;2-1-2;..13.....9;1 |
36e00 | 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 34 00 21 00 00 00 38 3b 31 2d 31 2d | -1-2;2-1-2;2-1-8;..14.!...8;1-1- |
36e20 | 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 35 00 15 | 1;1-1-2;2-2-1;2-1-2;2-1-9;..15.. |
36e40 | 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 31 36 00 15 00 00 00 | ...1;1-2-1;1-1-8;2-1-2;..16..... |
36e60 | 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 37 00 0f 00 00 00 31 3b 31 | 1;1-1-1;2-1-1;2-1-8;..17.....1;1 |
36e80 | 2d 31 2d 32 3b 32 2d 32 2d 32 3b 00 02 31 38 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d | -1-2;2-2-2;..18.....1;1-1-1;2-2- |
36ea0 | 31 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 3b 00 | 1;..19.....1;1-1-1;2-2-1;2-1-8;. |
36ec0 | 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 | ...dataset_ids......0.V..4+r.5o. |
36ee0 | 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 | ...1.V..:+r.5o....2.V..;+r.5o... |
36f00 | 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 | .3.V..<+r.5o....4.V..=+r.5o....5 |
36f20 | 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 37 00 56 | .V..>+r.5o....6.V..?+r.5o....7.V |
36f40 | ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c | ..@+r.5o....8.V..A+r.5o....9.V.. |
36f60 | 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 | B+r.5o....10.V..C+r.5o.....featu |
36f80 | 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 | res./....56ba0c342b72ed356f00000 |
36fa0 | 30 00 10 00 00 00 01 30 00 9a 94 15 fb f6 f6 c2 3f 00 00 02 73 6d 69 6c 65 73 00 26 00 00 00 43 | 0......0........?...smiles.&...C |
36fc0 | 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 29 | OC(CCCC(CC=CC(=CC(=O)OC(C)C)C)C) |
36fe0 | 28 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 a9 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 | (C)C..updated_at.....R....create |
37000 | 64 5f 61 74 00 3d b2 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.=...R....default_fingerprin |
37020 | 74 5f 73 69 7a 65 00 14 00 00 00 02 69 6e 63 68 69 00 6c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.l...InChI=1S/C |
37040 | 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 34 | 19H34O3/c1-15(2)22-18(20)14-17(4 |
37060 | 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 2d | )11-8-10-16(3)12-9-13-19(5,6)21- |
37080 | 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 48 | 7/h8,11,14-16H,9-10,12-13H2,1-7H |
370a0 | 33 00 00 ef 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 f5 04 77 61 72 6e 69 6e 67 | 3......._id.V..5+r.5o....warning |
370c0 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c3 01 00 00 04 4d 50 32 44 00 b8 | s.......fingerprints......MP2D.. |
370e0 | 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 00 | ....0.....1;1-1-10;2-1-3;..1.... |
37100 | 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 3b | .10;1-1-1;1-1-3;2-2-3;..2.....3; |
37120 | 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 00 | 1-2-3;1-1-10;2-2-1;2-2-3;..3.... |
37140 | 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 3b | .3;1-2-3;2-2-3;2-1-10;..4.....3; |
37160 | 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 2d | 1-2-3;2-2-3;2-1-8;..5.....3;1-2- |
37180 | 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 31 | 3;1-1-8;2-2-3;2-1-12;..6.....3;1 |
371a0 | 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 33 | -2-3;2-1-1;2-2-3;2-1-8;..7.....3 |
371c0 | 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 00 | ;1-1-1;1-2-3;2-2-3;2-1-10;..8... |
371e0 | 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 3b | ..1;1-1-3;2-2-3;..9.#...8;1-1-3; |
37200 | 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 1d | 1-1-12;2-2-3;2-2-8;2-1-18;..10.. |
37220 | 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 00 | ...12;1-3-8;1-1-18;2-2-1;2-1-3;. |
37240 | 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 00 | .11.....18;1-1-12;2-3-8;..12.... |
37260 | 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 31 | .8;1-1-1;1-1-12;2-2-8;2-1-18;..1 |
37280 | 33 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 00 00 04 64 61 74 61 73 65 74 | 3.....1;1-1-8;2-1-12;....dataset |
372a0 | 5f 69 64 73 00 db 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b | _ids......0.V..4+r.5o....1.V..:+ |
372c0 | 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed | r.5o....2.V..;+r.5o....3.V..;+r. |
372e0 | 35 6f 00 01 c5 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f | 5o....4.V..<+r.5o....5.V..=+r.5o |
37300 | 00 01 c8 07 36 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 37 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 | ....6.V..=+r.5o....7.V..>+r.5o.. |
37320 | ca 07 38 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 | ..8.V..?+r.5o....9.V..@+r.5o.... |
37340 | 31 30 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 | 10.V..A+r.5o....11.V..B+r.5o.... |
37360 | 31 32 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 33 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 | 12.V..B+r.5o....13.V..C+r.5o.... |
37380 | 03 66 65 61 74 75 72 65 73 00 45 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 | .features.E....56ba0c342b72ed356 |
373a0 | 66 30 30 30 30 30 30 00 26 00 00 00 01 30 00 e9 61 a7 f1 e4 97 8b 3f 01 31 00 06 c4 09 22 12 31 | f000000.&....0..a.....?.1....".1 |
373c0 | 65 3f 01 32 00 08 35 8c aa 56 7d 5a 3f 00 00 02 73 6d 69 6c 65 73 00 1a 00 00 00 43 53 63 31 63 | e?.2..5..V}Z?...smiles.....CSc1c |
373e0 | 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 61 74 65 64 5f 61 74 | cc(cc1C)OP(=S)(OC)OC..updated_at |
37400 | 00 46 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 42 b2 bf c6 52 01 00 00 10 64 65 | .F...R....created_at.B...R....de |
37420 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0e 00 00 00 02 69 6e 63 68 | fault_fingerprint_size......inch |
37440 | 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 32 2f 63 31 2d 38 2d | i.K...InChI=1S/C10H15O3PS2/c1-8- |
37460 | 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 35 2c 31 31 2d 32 29 | 7-9(5-6-10(8)16-4)13-14(15,11-2) |
37480 | 31 32 2d 33 2f 68 35 2d 37 48 2c 31 2d 34 48 33 00 00 83 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b | 12-3/h5-7H,1-4H3......._id.V..5+ |
374a0 | 72 ed 35 6f 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 | r.5o....warnings.......fingerpri |
374c0 | 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 31 2d 38 | nts.U....MP2D.J....0.....1;1-1-8 |
374e0 | 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 |
37500 | 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 2d 31 3b 32 | -3;..2.!...3;1-2-3;1-1-8;2-1-1;2 |
37520 | 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 33 3b 32 2d 31 2d 32 | -2-3;2-1-8;..3.....3;1-2-3;2-1-2 |
37540 | 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 31 2d 32 3b 31 2d 32 | ;2-2-3;2-1-8;..4.....3;1-1-2;1-2 |
37560 | 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 31 2d 32 2d 33 3b 32 | -3;2-1-2;2-3-3;..5.....3;1-2-3;2 |
37580 | 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 33 | -1-2;2-2-3;..6.....3;1-2-3;2-2-3 |
375a0 | 3b 32 2d 31 2d 38 3b 00 02 37 00 1b 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 | ;2-1-8;..7.....2;1-1-2;1-2-3;2-1 |
375c0 | 2d 32 3b 32 2d 34 2d 33 3b 00 02 38 00 1c 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 32 2d 33 3b 32 | -2;2-4-3;..8.....2;1-2-2;2-2-3;2 |
375e0 | 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 39 00 22 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d | -1-9;2-1-28;..9."...2;1-1-2;1-1- |
37600 | 39 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 16 00 00 00 39 3b | 9;1-1-28;2-2-1;2-1-2;..10.....9; |
37620 | 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 32 38 3b 00 02 31 31 00 22 00 00 00 32 38 3b 31 | 1-1-2;2-1-2;2-1-28;..11."...28;1 |
37640 | 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 3b 00 02 31 | -2-1;1-1-2;2-2-1;2-1-2;2-1-9;..1 |
37660 | 32 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 2d 32 | 2."...1;1-1-1;1-1-28;2-1-1;2-1-2 |
37680 | 3b 32 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 | ;2-1-8;..13.....1;1-1-1;1-1-8;2- |
376a0 | 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 34 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d | 1-1;2-1-28;..14.....8;1-2-1;2-2- |
376c0 | 31 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 31 35 3b | 1;..15.....3;1-2-3;2-2-3;2-1-15; |
376e0 | 00 02 31 36 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 | ..16.....3;1-2-3;1-1-15;2-2-3;.. |
37700 | 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 04 64 61 74 61 73 65 | 17.....15;1-1-3;2-2-3;....datase |
37720 | 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a | t_ids......0.V..4+r.5o....1.V..: |
37740 | 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 | +r.5o....2.V..;+r.5o....3.V..<+r |
37760 | ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 | .5o....4.V..=+r.5o....5.V..=+r.5 |
37780 | 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 | o....6.V..?+r.5o....7.V..@+r.5o. |
377a0 | 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 | ...8.V..A+r.5o....9.V..B+r.5o... |
377c0 | 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 | .10.V..C+r.5o.....features./.... |
377e0 | 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 | 56ba0c342b72ed356f000000......0. |
37800 | da 39 3f 3d 4b 8f be 3f 00 00 02 73 6d 69 6c 65 73 00 2d 00 00 00 43 4f 63 31 63 63 28 63 63 63 | .9?=K..?...smiles.-...COc1cc(ccc |
37820 | 31 4f 43 29 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 | 1OC)C(=CC(=O)N1CCOCC1)c1ccc(cc1) |
37840 | 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 5f e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f | Cl..updated_at._...R....created_ |
37860 | 61 74 00 48 b2 bf c6 52 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.H...R....default_fingerprint_ |
37880 | 73 69 7a 65 00 12 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 | size......inchi.....InChI=1S/C21 |
378a0 | 48 32 32 43 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 | H22ClNO4/c1-25-19-8-5-16(13-20(1 |
378c0 | 39 29 32 36 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 | 9)26-2)18(15-3-6-17(22)7-4-15)14 |
378e0 | 2d 32 31 28 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 | -21(24)23-9-11-27-12-10-23/h3-8, |
37900 | 31 33 2d 31 34 48 2c 39 2d 31 32 48 32 2c 31 2d 32 48 33 00 00 0b 03 00 00 07 5f 69 64 00 56 ba | 13-14H,9-12H2,1-2H3......._id.V. |
37920 | 0c 35 2b 72 ed 35 6f 00 00 f7 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | .5+r.5o....warnings.......finger |
37940 | 70 72 69 6e 74 73 00 2a 01 00 00 04 4d 50 32 44 00 1f 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d | prints.*....MP2D......0.....1;1- |
37960 | 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 31 2d 31 | 1-1;2-1-10;..1.....1;1-1-1;1-1-1 |
37980 | 30 3b 32 2d 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 | 0;2-1-2;..2.#...10;1-1-1;1-1-2;2 |
379a0 | 2d 31 2d 31 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 | -1-1;2-1-9;2-1-28;..3.....2;1-1- |
379c0 | 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 00 00 00 39 3b | 9;1-1-10;1-1-28;2-3-1;..4.....9; |
379e0 | 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 00 32 38 3b 31 | 1-1-2;2-1-10;2-1-28;..5.#...28;1 |
37a00 | 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 30 3b 00 02 | -2-1;1-1-2;2-2-1;2-1-9;2-1-10;.. |
37a20 | 36 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 31 2d 32 | 6.....1;1-1-1;1-1-28;2-3-1;2-1-2 |
37a40 | 3b 00 02 37 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 | ;..7.....1;1-3-1;2-1-28;..8..... |
37a60 | 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 | 1;1-1-1;2-2-1;....dataset_ids... |
37a80 | 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 | ...0.V..4+r.5o....1.V..:+r.5o... |
37aa0 | 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 | .2.V..;+r.5o....3.V..<+r.5o....4 |
37ac0 | 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 | .V..=+r.5o....5.V..>+r.5o....6.V |
37ae0 | ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c | ..?+r.5o....7.V..@+r.5o....8.V.. |
37b00 | 41 2b 72 ed 35 6f 00 01 cf 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 | A+r.5o....9.V..B+r.5o....10.V..C |
37b20 | 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 | +r.5o.....features./....56ba0c34 |
37b40 | 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 c9 1d 29 55 54 71 dd 3f | 2b72ed356f000000......0...)UTq.? |
37b60 | 00 00 02 73 6d 69 6c 65 73 00 18 00 00 00 43 43 53 43 28 3d 4f 29 4e 28 43 43 28 43 29 43 29 43 | ...smiles.....CCSC(=O)N(CC(C)C)C |
37b80 | 43 28 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 30 ea bf c6 52 01 00 00 09 63 72 65 61 74 | C(C)C..updated_at.0...R....creat |
37ba0 | 65 64 5f 61 74 00 4d b2 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at.M...R....default_fingerpri |
37bc0 | 6e 74 5f 73 69 7a 65 00 09 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/ |
37be0 | 43 31 31 48 32 33 4e 4f 53 2f 63 31 2d 36 2d 31 34 2d 31 31 28 31 33 29 31 32 28 37 2d 39 28 32 | C11H23NOS/c1-6-14-11(13)12(7-9(2 |
37c00 | 29 33 29 38 2d 31 30 28 34 29 35 2f 68 39 2d 31 30 48 2c 36 2d 38 48 32 2c 31 2d 35 48 33 00 00 | )3)8-10(4)5/h9-10H,6-8H2,1-5H3.. |
37c20 | 23 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 f8 04 77 61 72 6e 69 6e 67 73 00 05 | #...._id.V..5+r.5o....warnings.. |
37c40 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 06 02 00 00 04 4d 50 32 44 00 fb 01 00 00 | .....fingerprints......MP2D..... |
37c60 | 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 16 | .0.....1;1-1-1;2-1-1;2-1-8;..1.. |
37c80 | 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 32 00 2a 00 00 00 | ...1;1-2-1;1-1-8;2-1-12;..2.*... |
37ca0 | 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 |
37cc0 | 30 3b 32 2d 31 2d 31 38 3b 00 02 33 00 1e 00 00 00 31 32 3b 31 2d 32 2d 38 3b 31 2d 31 2d 31 30 | 0;2-1-18;..3.....12;1-2-8;1-1-10 |
37ce0 | 3b 31 2d 31 2d 31 38 3b 32 2d 33 2d 31 3b 00 02 34 00 18 00 00 00 31 38 3b 31 2d 31 2d 31 32 3b | ;1-1-18;2-3-1;..4.....18;1-1-12; |
37d00 | 32 2d 32 2d 38 3b 32 2d 31 2d 31 30 3b 00 02 35 00 24 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d | 2-2-8;2-1-10;..5.$...10;1-1-1;1- |
37d20 | 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 1d 00 00 00 | 1-12;2-1-1;2-2-8;2-1-18;..6..... |
37d40 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 35 3b 32 2d 31 2d 31 32 3b 00 02 37 00 | 1;1-1-1;1-1-10;2-1-5;2-1-12;..7. |
37d60 | 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 33 30 3b | ....1;1-1-1;1-1-5;2-1-10;2-1-30; |
37d80 | 00 02 38 00 22 00 00 00 35 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 31 3b 32 2d 31 | ..8."...5;1-1-1;1-1-30;2-1-1;2-1 |
37da0 | 2d 33 3b 32 2d 32 2d 39 3b 00 02 39 00 22 00 00 00 33 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 35 3b | -3;2-2-9;..9."...30;1-1-3;1-1-5; |
37dc0 | 31 2d 32 2d 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 1c 00 00 00 39 3b 31 2d 31 | 1-2-9;2-1-1;2-2-3;..10.....9;1-1 |
37de0 | 2d 33 30 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 | -30;2-1-3;2-1-5;2-1-9;..11."...3 |
37e00 | 3b 31 2d 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 | ;1-2-3;1-1-30;2-2-3;2-1-5;2-2-9; |
37e20 | 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 3b 00 02 | ..12.....3;1-2-3;2-2-3;2-1-30;.. |
37e40 | 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 | 13.....3;1-2-3;2-2-3;....dataset |
37e60 | 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b | _ids......0.V..4+r.5o....1.V..:+ |
37e80 | 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed | r.5o....2.V..;+r.5o....3.V..<+r. |
37ea0 | 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f | 5o....4.V..=+r.5o....5.V..>+r.5o |
37ec0 | 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 | ....6.V..?+r.5o....7.V..@+r.5o.. |
37ee0 | ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 | ..8.V..A+r.5o....9.V..B+r.5o.... |
37f00 | 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 | 10.V..C+r.5o.....features./....5 |
37f20 | 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 03 | 6ba0c342b72ed356f000000......0.. |
37f40 | e7 f5 3b f2 51 a3 3f 00 00 02 73 6d 69 6c 65 73 00 29 00 00 00 43 43 28 4f 50 28 3d 53 29 28 4f | ..;.Q.?...smiles.)...CC(OP(=S)(O |
37f60 | 43 28 43 29 43 29 53 43 43 4e 53 28 3d 4f 29 28 3d 4f 29 63 31 63 63 63 63 63 31 29 43 00 09 75 | C(C)C)SCCNS(=O)(=O)c1ccccc1)C..u |
37f80 | 70 64 61 74 65 64 5f 61 74 00 0d ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 53 b2 | pdated_at.....R....created_at.S. |
37fa0 | bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | ..R....default_fingerprint_size. |
37fc0 | 0e 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 32 34 4e 4f | .....inchi.s...InChI=1S/C14H24NO |
37fe0 | 34 50 53 33 2f 63 31 2d 31 32 28 32 29 31 38 2d 32 30 28 32 31 2c 31 39 2d 31 33 28 33 29 34 29 | 4PS3/c1-12(2)18-20(21,19-13(3)4) |
38000 | 32 32 2d 31 31 2d 31 30 2d 31 35 2d 32 33 28 31 36 2c 31 37 29 31 34 2d 38 2d 36 2d 35 2d 37 2d | 22-11-10-15-23(16,17)14-8-6-5-7- |
38020 | 39 2d 31 34 2f 68 35 2d 39 2c 31 32 2d 31 33 2c 31 35 48 2c 31 30 2d 31 31 48 32 2c 31 2d 34 48 | 9-14/h5-9,12-13,15H,10-11H2,1-4H |
38040 | 33 00 00 61 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 f9 04 77 61 72 6e 69 6e 67 | 3..a...._id.V..5+r.5o....warning |
38060 | 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 32 44 00 2f | s.......fingerprints.:....MP2D./ |
38080 | 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 31 2d 32 3b 00 02 | ....0.....1;1-1-2;2-1-1;2-1-2;.. |
380a0 | 31 00 15 00 00 00 32 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 | 1.....2;1-2-1;1-1-2;2-1-1;..2... |
380c0 | 00 00 32 3b 31 2d 31 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 | ..2;1-1-1;1-1-2;2-4-1;..3.....1; |
380e0 | 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.'... |
38100 | 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; |
38120 | 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- |
38140 | 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 1b 00 00 00 | 2;..6.....1;1-1-1;2-3-1;..7..... |
38160 | 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 38 00 15 00 | 2;1-1-1;1-1-8;1-1-9;2-3-1;..8... |
38180 | 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 21 00 00 00 38 3b | ..9;1-1-2;2-1-1;2-1-8;..9.!...8; |
381a0 | 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 39 3b 00 02 | 1-1-1;1-1-2;2-1-1;2-1-3;2-1-9;.. |
381c0 | 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 32 3b 32 2d 32 2d 33 | 10.....1;1-1-3;1-1-8;2-1-2;2-2-3 |
381e0 | 3b 00 02 31 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 | ;..11.....3;1-1-1;1-2-3;2-2-3;2- |
38200 | 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 31 3b 32 2d 32 2d 33 | 1-8;..12.....3;1-2-3;2-1-1;2-2-3 |
38220 | 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 00 | ;..13.....3;1-2-3;2-2-3;..14.... |
38240 | 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; |
38260 | 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 31 36 00 1b 00 00 00 33 3b 31 2d 32 | 1-2-3;1-1-8;2-3-3;..16.....3;1-2 |
38280 | 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 37 00 0f 00 00 00 38 3b | -3;2-1-1;2-2-3;2-1-8;..17.....8; |
382a0 | 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 | 1-2-3;2-4-3;....dataset_ids..... |
382c0 | 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 | .0.V..4+r.5o....1.V..9+r.5o....2 |
382e0 | 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 | .V..;+r.5o....3.V..<+r.5o....4.V |
38300 | ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c | ..=+r.5o....5.V..>+r.5o....6.V.. |
38320 | 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b | ?+r.5o....7.V..@+r.5o....8.V..A+ |
38340 | 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 | r.5o....9.V..B+r.5o....10.V..C+r |
38360 | ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 | .5o.....features./....56ba0c342b |
38380 | 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 01 7a 0c e3 ae 64 db 3f 00 00 | 72ed356f000000......0..z...d.?.. |
383a0 | 02 73 6d 69 6c 65 73 00 2d 00 00 00 43 43 28 3d 43 43 31 43 28 43 31 28 43 29 43 29 43 28 3d 4f | .smiles.-...CC(=CC1C(C1(C)C)C(=O |
383c0 | 29 4f 43 63 31 63 63 63 63 28 63 31 29 4f 63 31 63 63 63 63 63 31 29 43 00 09 75 70 64 61 74 65 | )OCc1cccc(c1)Oc1ccccc1)C..update |
383e0 | 64 5f 61 74 00 46 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 59 b2 bf c6 52 01 00 | d_at.F...R....created_at.Y...R.. |
38400 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 12 00 00 00 02 | ..default_fingerprint_size...... |
38420 | 69 6e 63 68 69 00 79 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 33 48 32 36 4f 33 2f 63 31 2d 31 | inchi.y...InChI=1S/C23H26O3/c1-1 |
38440 | 36 28 32 29 31 33 2d 32 30 2d 32 31 28 32 33 28 32 30 2c 33 29 34 29 32 32 28 32 34 29 32 35 2d | 6(2)13-20-21(23(20,3)4)22(24)25- |
38460 | 31 35 2d 31 37 2d 39 2d 38 2d 31 32 2d 31 39 28 31 34 2d 31 37 29 32 36 2d 31 38 2d 31 30 2d 36 | 15-17-9-8-12-19(14-17)26-18-10-6 |
38480 | 2d 35 2d 37 2d 31 31 2d 31 38 2f 68 35 2d 31 34 2c 32 30 2d 32 31 48 2c 31 35 48 32 2c 31 2d 34 | -5-7-11-18/h5-14,20-21H,15H2,1-4 |
384a0 | 48 33 00 00 3f 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 fa 04 77 61 72 6e 69 6e | H3..?...._id.V..5+r.5o....warnin |
384c0 | 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 44 00 | gs.......fingerprints.W....MP2D. |
384e0 | 4c 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 00 1c 00 | L....0.....1;1-1-28;2-1-2;..1... |
38500 | 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 02 32 | ..28;1-1-1;1-1-2;2-1-8;2-1-9;..2 |
38520 | 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 31 3b | ."...2;1-1-8;1-1-9;1-1-28;2-1-1; |
38540 | 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 31 2d | 2-1-3;..3.....9;1-1-2;2-1-8;2-1- |
38560 | 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 3b 32 | 28;..4."...8;1-1-2;1-1-3;2-2-3;2 |
38580 | 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 31 2d | -1-9;2-1-28;..5.....3;1-2-3;1-1- |
385a0 | 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 32 2d | 8;2-1-2;2-2-3;..6.....3;1-2-3;2- |
385c0 | 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 37 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b | 1-1;2-2-3;2-1-8;..7.....3;1-1-1; |
385e0 | 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 31 2d | 1-2-3;2-1-1;2-2-3;..8.....1;1-1- |
38600 | 33 3b 32 2d 32 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 | 3;2-2-3;..9.....3;1-1-1;1-2-3;2- |
38620 | 32 2d 31 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 | 2-1;2-2-3;....dataset_ids......0 |
38640 | 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 | .V..4+r.5o....1.V..:+r.5o....2.V |
38660 | ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c | ..;+r.5o....3.V..<+r.5o....4.V.. |
38680 | 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b | =+r.5o....5.V..=+r.5o....6.V..?+ |
386a0 | 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed | r.5o....7.V..@+r.5o....8.V..A+r. |
386c0 | 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 | 5o....9.V..B+r.5o....10.V..C+r.5 |
386e0 | 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 | o.....features./....56ba0c342b72 |
38700 | 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 0e 2c 81 ab c7 7e aa 3f 00 00 02 73 | ed356f000000......0..,...~.?...s |
38720 | 6d 69 6c 65 73 00 1a 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 | miles.....CNC(=O)Oc1cc(C)c(c(c1) |
38740 | 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 79 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 | C)C..updated_at.y...R....created |
38760 | 5f 61 74 00 5f b2 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at._...R....default_fingerprint |
38780 | 5f 73 69 7a 65 00 0a 00 00 00 02 69 6e 63 68 69 00 4d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 | _size......inchi.M...InChI=1S/C1 |
387a0 | 31 48 31 35 4e 4f 32 2f 63 31 2d 37 2d 35 2d 31 30 28 31 34 2d 31 31 28 31 33 29 31 32 2d 34 29 | 1H15NO2/c1-7-5-10(14-11(13)12-4) |
387c0 | 36 2d 38 28 32 29 39 28 37 29 33 2f 68 35 2d 36 48 2c 31 2d 34 48 33 2c 28 48 2c 31 32 2c 31 33 | 6-8(2)9(7)3/h5-6H,1-4H3,(H,12,13 |
387e0 | 29 00 00 b4 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 fb 04 77 61 72 6e 69 6e 67 | )......._id.V..5+r.5o....warning |
38800 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ba 01 00 00 04 4d 50 32 44 00 af | s.......fingerprints......MP2D.. |
38820 | 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 00 | ....0.....1;1-1-1;2-1-8;..1..... |
38840 | 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 2a 00 00 00 38 3b 31 | 1;1-1-1;1-1-8;2-1-12;..2.*...8;1 |
38860 | 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 31 30 3b 32 | -1-1;1-1-12;2-1-1;2-1-8;2-1-10;2 |
38880 | 2d 31 2d 31 38 3b 00 02 33 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;..3.....12;1-2-8;1-1-10;1- |
388a0 | 31 2d 31 38 3b 32 2d 33 2d 31 3b 00 02 34 00 18 00 00 00 31 38 3b 31 2d 31 2d 31 32 3b 32 2d 32 | 1-18;2-3-1;..4.....18;1-1-12;2-2 |
388c0 | 2d 38 3b 32 2d 31 2d 31 30 3b 00 02 35 00 25 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 | -8;2-1-10;..5.%...10;1-1-1;1-1-1 |
388e0 | 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 36 00 17 00 00 00 31 3b | 2;2-2-8;2-1-10;2-1-18;..6.....1; |
38900 | 31 2d 32 2d 31 30 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 32 3b 00 02 37 00 1d 00 00 00 31 30 3b 31 | 1-2-10;2-1-3;2-1-12;..7.....10;1 |
38920 | 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 38 00 1c 00 00 00 | -1-1;1-1-3;2-2-3;2-1-10;..8..... |
38940 | 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 39 00 16 | 3;1-2-3;1-1-10;2-1-1;2-2-3;..9.. |
38960 | 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.... |
38980 | 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 00 00 33 | .3;1-2-3;2-2-3;2-1-15;..11.....3 |
389a0 | 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 10 00 00 00 31 35 3b | ;1-2-3;1-1-15;2-2-3;..12.....15; |
389c0 | 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 | 1-1-3;2-2-3;....dataset_ids..... |
389e0 | 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 | .0.V..4+r.5o....1.V..:+r.5o....2 |
38a00 | 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 | .V..;+r.5o....3.V..<+r.5o....4.V |
38a20 | ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c | ..=+r.5o....5.V..>+r.5o....6.V.. |
38a40 | 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b | ?+r.5o....7.V..@+r.5o....8.V..A+ |
38a60 | 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 30 00 56 ba 0c 43 2b 72 | r.5o....9.V..B+r.5o....10.V..C+r |
38a80 | ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 | .5o.....features./....56ba0c342b |
38aa0 | 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 c8 86 4e 3d 8c e4 67 3f 00 00 | 72ed356f000000......0...N=..g?.. |
38ac0 | 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 53 63 31 63 63 | .smiles.....CCOP(=S)(OCC)SCSc1cc |
38ae0 | 63 28 63 63 31 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 5c ea bf c6 52 01 00 00 09 63 72 | c(cc1)Cl..updated_at.\...R....cr |
38b00 | 65 61 74 65 64 5f 61 74 00 64 b2 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at.d...R....default_finger |
38b20 | 70 72 69 6e 74 5f 73 69 7a 65 00 0d 00 00 00 02 69 6e 63 68 69 00 5c 00 00 00 49 6e 43 68 49 3d | print_size......inchi.\...InChI= |
38b40 | 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 28 31 36 2c 31 | 1S/C11H16ClO2PS3/c1-3-13-15(16,1 |
38b60 | 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 36 2d 38 2d 31 | 4-4-2)18-9-17-11-7-5-10(12)6-8-1 |
38b80 | 31 2f 68 35 2d 38 48 2c 33 2d 34 2c 39 48 32 2c 31 2d 32 48 33 00 00 41 03 00 00 07 5f 69 64 00 | 1/h5-8H,3-4,9H2,1-2H3..A...._id. |
38ba0 | 56 ba 0c 35 2b 72 ed 35 6f 00 00 fc 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..5+r.5o....warnings.......fing |
38bc0 | 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 10 00 00 00 39 3b | erprints......MP2D......0.....9; |
38be0 | 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 39 3b 31 2d 31 | 1-1-2;2-1-28;..1.....2;1-1-9;1-1 |
38c00 | 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 31 2d 31 2d 32 | -28;2-1-1;..2."...28;1-1-1;1-1-2 |
38c20 | 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 31 3b 31 2d 31 | ;2-1-1;2-1-5;2-1-9;..3.)...1;1-1 |
38c40 | 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 3b 32 2d 33 2d | -1;1-1-5;1-1-28;2-2-1;2-1-2;2-3- |
38c60 | 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 2d 31 2d 35 3b | 15;..4.....1;1-1-1;1-3-15;2-1-5; |
38c80 | 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 2d 31 3b 32 2d | 2-1-28;..5.....15;1-1-1;2-1-1;2- |
38ca0 | 32 2d 31 35 3b 00 02 36 00 16 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 | 2-15;..6.....5;1-3-1;2-3-1;2-1-2 |
38cc0 | 38 3b 00 02 37 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 | 8;..7.....1;1-1-1;1-1-5;2-2-1;2- |
38ce0 | 31 2d 35 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b | 1-5;....dataset_ids......0.V..4+ |
38d00 | 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed | r.5o....1.V..:+r.5o....2.V..;+r. |
38d20 | 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f | 5o....3.V..<+r.5o....4.V..<+r.5o |
38d40 | 00 01 c7 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 | ....5.V..>+r.5o....6.V..?+r.5o.. |
38d60 | cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 | ..7.V..@+r.5o....8.V..A+r.5o.... |
38d80 | 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 | 9.V..B+r.5o....10.V..C+r.5o..... |
38da0 | 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 | features./....56ba0c342b72ed356f |
38dc0 | 30 30 30 30 30 30 00 10 00 00 00 01 30 00 ef 40 9b 2b 89 6d cd 3f 00 00 02 73 6d 69 6c 65 73 00 | 000000......0..@.+.m.?...smiles. |
38de0 | 2f 00 00 00 4f 3d 43 4e 43 28 43 28 43 6c 29 28 43 6c 29 43 6c 29 4e 31 43 43 4e 28 43 43 31 29 | /...O=CNC(C(Cl)(Cl)Cl)N1CCN(CC1) |
38e00 | 43 28 43 28 43 6c 29 28 43 6c 29 43 6c 29 4e 43 3d 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 1b | C(C(Cl)(Cl)Cl)NC=O..updated_at.. |
38e20 | e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 6a b2 bf c6 52 01 00 00 10 64 65 66 61 | ...R....created_at.j...R....defa |
38e40 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 08 00 00 00 02 69 6e 63 68 69 00 | ult_fingerprint_size......inchi. |
38e60 | 73 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 34 43 6c 36 4e 34 4f 32 2f 63 31 31 2d 39 | s...InChI=1S/C10H14Cl6N4O2/c11-9 |
38e80 | 28 31 32 2c 31 33 29 37 28 31 37 2d 35 2d 32 31 29 31 39 2d 31 2d 32 2d 32 30 28 34 2d 33 2d 31 | (12,13)7(17-5-21)19-1-2-20(4-3-1 |
38ea0 | 39 29 38 28 31 38 2d 36 2d 32 32 29 31 30 28 31 34 2c 31 35 29 31 36 2f 68 35 2d 38 48 2c 31 2d | 9)8(18-6-22)10(14,15)16/h5-8H,1- |
38ec0 | 34 48 32 2c 28 48 2c 31 37 2c 32 31 29 28 48 2c 31 38 2c 32 32 29 00 00 f1 03 00 00 07 5f 69 64 | 4H2,(H,17,21)(H,18,22)......._id |
38ee0 | 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 fd 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..5+r.5o....warnings.......fin |
38f00 | 67 65 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 17 00 00 00 33 | gerprints......MP2D......0.....3 |
38f20 | 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 38 3b 32 2d 32 2d 33 3b 00 02 31 00 17 00 00 00 31 38 3b | ;1-1-11;1-1-18;2-2-3;..1.....18; |
38f40 | 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 00 1d 00 00 00 33 3b 31 2d 31 | 1-2-3;2-1-3;2-1-11;..2.....3;1-1 |
38f60 | 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 33 00 24 00 00 00 33 | -3;1-1-18;2-2-3;2-1-11;..3.$...3 |
38f80 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 31 | ;1-2-3;1-1-11;2-1-3;2-2-11;2-1-1 |
38fa0 | 38 3b 00 02 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 38 3b | 8;..4.....11;1-2-3;2-2-3;2-1-18; |
38fc0 | 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 33 2d 33 3b 32 2d 31 | ..5.$...3;1-1-3;1-2-11;2-3-3;2-1 |
38fe0 | 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 02 36 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d | -11;2-1-13;..6.....11;1-2-3;2-3- |
39000 | 33 3b 32 2d 31 2d 31 31 3b 00 02 37 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b | 3;2-1-11;..7.....3;1-2-3;1-1-11; |
39020 | 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | 2-3-3;2-1-11;..8.$...3;1-2-3;1-1 |
39040 | 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 39 00 1e 00 00 00 | -11;2-3-3;2-1-11;2-1-13;..9..... |
39060 | 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 | 11;1-2-3;1-1-13;2-3-3;2-1-11;..1 |
39080 | 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 00 16 00 00 00 33 | 0.....13;1-1-11;2-2-3;..11.....3 |
390a0 | 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 33 3b 31 | ;1-2-3;2-2-3;2-1-11;..12.....3;1 |
390c0 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 db 00 00 00 07 | -2-3;2-2-3;....dataset_ids...... |
390e0 | 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 | 0.V..4+r.5o....1.V..:+r.5o....2. |
39100 | 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 34 00 56 ba | V..:+r.5o....3.V..;+r.5o....4.V. |
39120 | 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3d | .<+r.5o....5.V..=+r.5o....6.V..= |
39140 | 2b 72 ed 35 6f 00 01 c9 07 37 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 38 00 56 ba 0c 3f 2b 72 | +r.5o....7.V..>+r.5o....8.V..?+r |
39160 | ed 35 6f 00 01 cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c 41 2b 72 ed | .5o....9.V..@+r.5o....10.V..A+r. |
39180 | 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed | 5o....11.V..B+r.5o....12.V..C+r. |
391a0 | 35 6f 00 01 d3 07 31 33 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 | 5o....13.V..C+r.5o.....features. |
391c0 | 45 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 26 00 | E....56ba0c342b72ed356f000000.&. |
391e0 | 00 00 01 30 00 75 3b db 26 60 5a 84 3f 01 31 00 52 0a 92 30 f8 70 c9 3f 01 32 00 bd 87 6d 24 ba | ...0.u;.&`Z.?.1.R..0.p.?.2...m$. |
39200 | 14 c3 3f 00 00 02 73 6d 69 6c 65 73 00 1c 00 00 00 63 31 73 63 63 28 6e 31 29 63 31 6e 63 32 63 | ..?...smiles.....c1scc(n1)c1nc2c |
39220 | 28 5b 6e 48 5d 31 29 63 63 63 63 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 7f e9 bf c6 52 01 00 | ([nH]1)cccc2..updated_at.....R.. |
39240 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 6f b2 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at.o...R....default_fi |
39260 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0d 00 00 00 02 69 6e 63 68 69 00 4a 00 00 00 49 6e | ngerprint_size......inchi.J...In |
39280 | 43 68 49 3d 31 53 2f 43 31 30 48 37 4e 33 53 2f 63 31 2d 32 2d 34 2d 38 2d 37 28 33 2d 31 29 31 | ChI=1S/C10H7N3S/c1-2-4-8-7(3-1)1 |
392a0 | 32 2d 31 30 28 31 33 2d 38 29 39 2d 35 2d 31 34 2d 36 2d 31 31 2d 39 2f 68 31 2d 36 48 2c 28 48 | 2-10(13-8)9-5-14-6-11-9/h1-6H,(H |
392c0 | 2c 31 32 2c 31 33 29 00 00 10 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 fe 04 77 | ,12,13)......._id.V..5+r.5o....w |
392e0 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 07 01 00 00 04 | arnings.......fingerprints...... |
39300 | 4d 50 32 44 00 fc 00 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 | MP2D......0.....15;1-1-3;2-2-3;. |
39320 | 02 31 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 32 2d | .1.....3;1-2-3;1-1-15;2-2-3;2-2- |
39340 | 31 35 3b 00 02 32 00 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b | 15;..2.$...3;1-2-3;1-1-15;2-2-3; |
39360 | 32 2d 31 2d 31 35 3b 32 2d 31 2d 31 39 3b 00 02 33 00 2a 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 2-1-15;2-1-19;..3.*...3;1-2-3;1- |
39380 | 31 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 | 1-19;2-2-3;2-1-9;2-2-15;2-1-32;. |
393a0 | 02 34 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 | .4.....19;1-1-3;1-1-9;1-1-32;2-2 |
393c0 | 2d 33 3b 00 02 35 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 | -3;..5.....9;1-1-19;2-1-3;2-1-32 |
393e0 | 3b 00 02 36 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 | ;..6.....32;1-1-19;2-1-3;2-1-9;. |
39400 | 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 | ...dataset_ids......0.V..4+r.5o. |
39420 | 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 | ...1.V..9+r.5o....2.V..:+r.5o... |
39440 | 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 | .3.V..;+r.5o....4.V..<+r.5o....5 |
39460 | 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 | .V..=+r.5o....6.V..>+r.5o....7.V |
39480 | ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 38 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 39 00 56 ba 0c | ..?+r.5o....8.V..@+r.5o....9.V.. |
394a0 | 40 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c | @+r.5o....10.V..A+r.5o....11.V.. |
394c0 | 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 | B+r.5o....12.V..C+r.5o.....featu |
394e0 | 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 | res.:....56ba0c342b72ed356f00000 |
39500 | 30 00 1b 00 00 00 01 30 00 fe 3f ed 51 81 16 db 3f 01 31 00 97 99 84 51 a5 56 de 3f 00 00 02 73 | 0......0..?.Q...?.1....Q.V.?...s |
39520 | 6d 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 | miles.'...Clc1c(Cl)c([N+](=O)[O- |
39540 | 5d 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 f9 e9 bf | ])c(c(c1Cl)Cl)Cl..updated_at.... |
39560 | c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 75 b2 bf c6 52 01 00 00 10 64 65 66 61 75 6c | .R....created_at.u...R....defaul |
39580 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 07 00 00 00 02 69 6e 63 68 69 00 36 00 | t_fingerprint_size......inchi.6. |
395a0 | 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 38 29 34 28 31 | ..InChI=1S/C6Cl5NO2/c7-1-2(8)4(1 |
395c0 | 30 29 36 28 31 32 28 31 33 29 31 34 29 35 28 31 31 29 33 28 31 29 39 00 00 49 04 00 00 07 5f 69 | 0)6(12(13)14)5(11)3(1)9..I...._i |
395e0 | 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 00 ff 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..5+r.5o....warnings.......fi |
39600 | 6e 67 65 72 70 72 69 6e 74 73 00 39 02 00 00 04 4d 50 32 44 00 2e 02 00 00 02 30 00 10 00 00 00 | ngerprints.9....MP2D......0..... |
39620 | 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 31 3b 31 | 1;1-1-1;2-1-10;..1.....1;1-1-1;1 |
39640 | 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 32 2d 33 | -1-10;2-1-1;..2.....10;1-2-1;2-3 |
39660 | 2d 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 | -1;..3.....1;1-2-1;1-1-10;2-2-1; |
39680 | 00 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 | ..4.....1;1-2-1;2-3-1;2-1-10;..5 |
396a0 | 00 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 | .....1;1-3-1;2-1-1;2-2-2;..6.... |
396c0 | 00 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 | .1;1-1-1;1-1-2;2-3-1;2-1-9;..7.. |
396e0 | 00 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 | ...2;1-2-1;1-1-9;2-1-1;2-2-2;..8 |
39700 | 00 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 | .....9;1-1-2;2-2-1;..9.....1;1-3 |
39720 | 2d 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 21 00 00 00 32 3b | -2;2-3-1;2-1-6;2-2-9;..10.!...2; |
39740 | 31 2d 32 2d 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 | 1-2-1;1-1-6;2-1-1;2-2-2;2-1-9;.. |
39760 | 31 31 00 15 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 32 00 | 11.....6;1-1-2;1-1-9;2-3-1;..12. |
39780 | 1b 00 00 00 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 | ....9;1-1-1;1-1-6;2-1-1;2-1-2;.. |
397a0 | 31 33 00 15 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 34 00 | 13.....1;1-1-1;1-1-9;2-1-6;..14. |
397c0 | 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 31 35 00 1b 00 00 00 31 3b 31 2d 31 | ....1;1-1-1;2-1-9;..15.....1;1-1 |
397e0 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 31 36 00 0f 00 00 00 31 3b | -1;1-1-2;2-2-1;2-1-6;..16.....1; |
39800 | 31 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 31 3b 32 2d 31 | 1-2-1;2-1-2;..17.....1;1-1-1;2-1 |
39820 | 2d 31 3b 00 02 31 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 30 | -1;..18.....1;1-1-1;2-1-1;2-1-10 |
39840 | 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 | ;....dataset_ids......0.V..4+r.5 |
39860 | 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 | o....1.V..:+r.5o....2.V..;+r.5o. |
39880 | 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 | ...3.V..<+r.5o....4.V..=+r.5o... |
398a0 | 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 | .5.V..>+r.5o....6.V..?+r.5o....7 |
398c0 | 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 | .V..@+r.5o....8.V..A+r.5o....9.V |
398e0 | ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 | ..B+r.5o....10.V..C+r.5o.....fea |
39900 | 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 | tures./....56ba0c342b72ed356f000 |
39920 | 30 30 30 00 10 00 00 00 01 30 00 e2 88 69 f5 00 e4 a9 3f 00 00 02 73 6d 69 6c 65 73 00 26 00 00 | 000......0...i....?...smiles.&.. |
39940 | 00 43 43 53 43 28 43 43 31 43 43 28 3d 4f 29 43 28 43 28 3d 4f 29 43 31 29 43 28 3d 4e 4f 43 43 | .CCSC(CC1CC(=O)C(C(=O)C1)C(=NOCC |
39960 | 29 43 43 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 64 ea bf c6 52 01 00 00 09 63 72 65 61 | )CCC)C..updated_at.d...R....crea |
39980 | 74 65 64 5f 61 74 00 7b b2 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at.{...R....default_fingerpr |
399a0 | 69 6e 74 5f 73 69 7a 65 00 13 00 00 00 02 69 6e 63 68 69 00 69 00 00 00 49 6e 43 68 49 3d 31 53 | int_size......inchi.i...InChI=1S |
399c0 | 2f 43 31 37 48 32 39 4e 4f 33 53 2f 63 31 2d 35 2d 38 2d 31 34 28 31 38 2d 32 31 2d 36 2d 32 29 | /C17H29NO3S/c1-5-8-14(18-21-6-2) |
399e0 | 31 37 2d 31 35 28 31 39 29 31 30 2d 31 33 28 31 31 2d 31 36 28 31 37 29 32 30 29 39 2d 31 32 28 | 17-15(19)10-13(11-16(17)20)9-12( |
39a00 | 34 29 32 32 2d 37 2d 33 2f 68 31 32 2d 31 33 2c 31 37 48 2c 35 2d 31 31 48 32 2c 31 2d 34 48 33 | 4)22-7-3/h12-13,17H,5-11H2,1-4H3 |
39a20 | 00 00 c8 02 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 01 00 04 77 61 72 6e 69 6e 67 73 | ......._id.V..5+r.5o....warnings |
39a40 | 00 05 00 00 00 00 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 | .......fingerprints......MP2D... |
39a60 | 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 31 00 1d 00 00 00 | ...0.....15;1-1-1;2-3-1;..1..... |
39a80 | 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 02 32 00 | 1;1-3-1;1-1-15;2-5-1;2-4-15;..2. |
39aa0 | 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 35 3b | ....1;1-2-1;1-2-15;2-4-1;2-2-15; |
39ac0 | 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 2d 31 35 3b 00 02 | ..3.....15;1-1-1;2-2-1;2-1-15;.. |
39ae0 | 34 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 | 4.....1;1-3-1;1-1-15;2-6-1;2-3-1 |
39b00 | 35 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed | 5;....dataset_ids......0.V..4+r. |
39b20 | 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f | 5o....1.V..:+r.5o....2.V..;+r.5o |
39b40 | 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 | ....3.V..<+r.5o....4.V..=+r.5o.. |
39b60 | c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 | ..5.V..=+r.5o....6.V..?+r.5o.... |
39b80 | 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 | 7.V..@+r.5o....8.V..A+r.5o....9. |
39ba0 | 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 | V..B+r.5o....10.V..C+r.5o.....fe |
39bc0 | 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 | atures./....56ba0c342b72ed356f00 |
39be0 | 30 30 30 30 00 10 00 00 00 01 30 00 8b 7e f1 3f d1 05 55 3f 00 00 02 73 6d 69 6c 65 73 00 41 00 | 0000......0..~.?..U?...smiles.A. |
39c00 | 00 00 43 6c 43 31 32 43 28 43 6c 29 28 43 6c 29 43 33 28 43 34 28 43 31 28 43 6c 29 43 31 28 43 | ..ClC12C(Cl)(Cl)C3(C4(C1(Cl)C1(C |
39c20 | 32 28 43 6c 29 43 33 28 43 34 28 43 31 28 43 6c 29 43 6c 29 43 6c 29 43 6c 29 43 6c 29 43 6c 29 | 2(Cl)C3(C4(C1(Cl)Cl)Cl)Cl)Cl)Cl) |
39c40 | 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 85 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f | Cl..updated_at.....R....created_ |
39c60 | 61 74 00 81 b2 bf c6 52 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.....R....default_fingerprint_ |
39c80 | 73 69 7a 65 00 05 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 30 | size......inchi.U...InChI=1S/C10 |
39ca0 | 43 6c 31 32 2f 63 31 31 2d 31 2d 32 28 31 32 29 37 28 31 37 29 34 28 31 34 29 33 28 31 33 2c 35 | Cl12/c11-1-2(12)7(17)4(14)3(13,5 |
39cc0 | 28 31 2c 31 35 29 39 28 37 2c 31 39 29 32 30 29 36 28 31 2c 31 36 29 31 30 28 32 31 2c 32 32 29 | (1,15)9(7,19)20)6(1,16)10(21,22) |
39ce0 | 38 28 32 2c 34 29 31 38 00 00 4b 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 01 01 04 | 8(2,4)18..K...._id.V..5+r.5o.... |
39d00 | 77 61 72 6e 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... |
39d20 | 04 4d 50 32 44 00 60 01 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.`....0.....1;1-1-1;2-1-28; |
39d40 | 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 |
39d60 | 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 2d 31 3b | -2;..2.#...28;1-2-1;1-1-2;2-3-1; |
39d80 | 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 31 2d 31 | 2-1-9;2-1-10;..3.....2;1-1-9;1-1 |
39da0 | 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 32 | -10;1-1-28;2-3-1;..4.....9;1-1-2 |
39dc0 | 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 2d 31 3b | ;2-1-10;2-1-28;..5.#...10;1-1-1; |
39de0 | 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 16 00 00 | 1-1-2;2-1-1;2-1-9;2-1-28;..6.... |
39e00 | 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 00 31 3b | .1;1-1-1;1-1-10;2-1-2;..7.....1; |
39e20 | 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 31 2d 31 | 1-1-1;2-1-10;..8.....1;1-2-1;1-1 |
39e40 | 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 2d 31 3b | -28;2-3-1;2-1-2;..9.....1;1-2-1; |
39e60 | 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 3b 32 2d | 2-2-1;2-1-28;..10.....1;1-2-1;2- |
39e80 | 32 2d 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b | 2-1;....dataset_ids......0.V..4+ |
39ea0 | 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed | r.5o....1.V..:+r.5o....2.V..;+r. |
39ec0 | 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f | 5o....3.V..<+r.5o....4.V..=+r.5o |
39ee0 | 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 | ....5.V..>+r.5o....6.V..?+r.5o.. |
39f00 | cb 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 | ..7.V..@+r.5o....8.V..A+r.5o.... |
39f20 | 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 | 9.V..B+r.5o....10.V..C+r.5o..... |
39f40 | 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 | features./....56ba0c342b72ed356f |
39f60 | 30 30 30 30 30 30 00 10 00 00 00 01 30 00 b3 57 02 9c 91 87 8c 3f 00 00 02 73 6d 69 6c 65 73 00 | 000000......0..W.....?...smiles. |
39f80 | 16 00 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 | ....CCN(C(=O)SCC)C1CCCCC1..updat |
39fa0 | 65 64 5f 61 74 00 bf e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 86 b2 bf c6 52 01 | ed_at.....R....created_at.....R. |
39fc0 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0b 00 00 00 | ...default_fingerprint_size..... |
39fe0 | 02 69 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 | .inchi.I...InChI=1S/C11H21NOS/c1 |
3a000 | 2d 33 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 | -3-12(11(13)14-4-2)10-8-6-5-7-9- |
3a020 | 31 30 2f 68 31 30 48 2c 33 2d 39 48 32 2c 31 2d 32 48 33 00 00 73 05 00 00 07 5f 69 64 00 56 ba | 10/h10H,3-9H2,1-2H3..s...._id.V. |
3a040 | 0c 35 2b 72 ed 35 6f 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 | .5+r.5o....warnings.......finger |
3a060 | 70 72 69 6e 74 73 00 3a 03 00 00 04 4d 50 32 44 00 2f 03 00 00 02 30 00 10 00 00 00 31 35 3b 31 | prints.:....MP2D./....0.....15;1 |
3a080 | 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 31 | -1-1;2-1-1;..1.....1;1-1-1;1-1-1 |
3a0a0 | 35 3b 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 | 5;2-1-8;..2.....1;1-1-1;1-1-8;2- |
3a0c0 | 31 2d 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 | 1-3;2-1-15;..3.....8;1-1-1;1-1-3 |
3a0e0 | 3b 32 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 | ;2-1-1;2-2-3;..4."...3;1-2-3;1-1 |
3a100 | 2d 38 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 | -8;2-1-1;2-2-3;2-1-30;..5.....3; |
3a120 | 31 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 | 1-2-3;2-2-3;2-1-8;..6.....3;1-2- |
3a140 | 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 3b 32 2d | 3;2-2-3;..7.....3;1-2-3;2-2-3;2- |
3a160 | 31 2d 33 30 3b 00 02 38 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;..8.)...3;1-2-3;1-1-30;2-2- |
3a180 | 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 39 00 23 00 00 00 33 30 3b | 3;2-1-8;2-2-9;2-1-28;..9.#...30; |
3a1a0 | 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 00 | 1-1-3;1-2-9;1-1-28;2-1-2;2-2-3;. |
3a1c0 | 02 31 30 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 | .10.....9;1-1-30;2-1-3;2-1-9;2-1 |
3a1e0 | 2d 32 38 3b 00 02 31 31 00 24 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 30 3b 32 2d 31 | -28;..11.$...28;1-1-2;1-1-30;2-1 |
3a200 | 2d 33 3b 32 2d 33 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 1d 00 00 00 32 3b 31 2d 31 2d 39 | -3;2-3-9;2-1-28;..12.....2;1-1-9 |
3a220 | 3b 31 2d 32 2d 32 38 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 33 00 10 00 00 00 39 3b | ;1-2-28;2-1-3;2-1-30;..13.....9; |
3a240 | 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 31 34 00 24 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 | 1-1-2;2-2-28;..14.$...28;1-1-2;1 |
3a260 | 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 35 00 1d 00 | -1-3;2-1-9;2-2-11;2-1-28;..15... |
3a280 | 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 33 3b 00 02 | ..3;1-2-11;1-1-28;2-1-2;2-2-3;.. |
3a2a0 | 31 36 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 32 2d 31 | 16.....11;1-2-3;2-1-1;2-2-11;2-1 |
3a2c0 | 2d 32 38 3b 00 02 31 37 00 16 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d | -28;..17.....3;1-1-1;1-2-11;2-2- |
3a2e0 | 33 3b 00 02 31 38 00 10 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 39 00 1d | 3;..18.....1;1-1-3;2-2-11;..19.. |
3a300 | 00 00 00 31 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 3b 00 | ...11;1-2-3;2-1-1;2-1-8;2-2-11;. |
3a320 | 02 32 30 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 | .20.....3;1-1-8;1-2-11;2-1-1;2-2 |
3a340 | 2d 33 3b 00 02 32 31 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 | -3;..21.....11;1-2-3;2-1-8;2-2-1 |
3a360 | 31 3b 32 2d 31 2d 32 38 3b 00 02 32 32 00 16 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b | 1;2-1-28;..22.....8;1-1-1;1-1-3; |
3a380 | 32 2d 32 2d 31 31 3b 00 02 32 33 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 00 | 2-2-11;..23.....1;1-1-8;2-1-3;.. |
3a3a0 | 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 | ..dataset_ids......0.V..4+r.5o.. |
3a3c0 | 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 | ..1.V..:+r.5o....2.V..;+r.5o.... |
3a3e0 | 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 | 3.V..<+r.5o....4.V..=+r.5o....5. |
3a400 | 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba | V..=+r.5o....6.V..?+r.5o....7.V. |
3a420 | 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 | .@+r.5o....8.V..A+r.5o....9.V..B |
3a440 | 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 | +r.5o....10.V..C+r.5o.....featur |
3a460 | 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 | es./....56ba0c342b72ed356f000000 |
3a480 | 00 10 00 00 00 01 30 00 0f 76 65 3d 71 95 e1 3f 00 00 02 73 6d 69 6c 65 73 00 2d 00 00 00 43 6c | ......0..ve=q..?...smiles.-...Cl |
3a4a0 | 43 43 4f 63 31 63 63 63 63 63 31 53 28 3d 4f 29 28 3d 4f 29 4e 43 28 3d 4f 29 4e 63 31 6e 63 28 | CCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc( |
3a4c0 | 43 29 6e 63 28 6e 31 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 82 e9 bf c6 52 01 00 00 09 | C)nc(n1)OC..updated_at.....R.... |
3a4e0 | 63 72 65 61 74 65 64 5f 61 74 00 8c b2 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at.....R....default_fing |
3a500 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 18 00 00 00 02 69 6e 63 68 69 00 8b 00 00 00 49 6e 43 68 | erprint_size......inchi.....InCh |
3a520 | 49 3d 31 53 2f 43 31 34 48 31 36 43 6c 4e 35 4f 35 53 2f 63 31 2d 39 2d 31 36 2d 31 32 28 31 39 | I=1S/C14H16ClN5O5S/c1-9-16-12(19 |
3a540 | 2d 31 34 28 31 37 2d 39 29 32 34 2d 32 29 31 38 2d 31 33 28 32 31 29 32 30 2d 32 36 28 32 32 2c | -14(17-9)24-2)18-13(21)20-26(22, |
3a560 | 32 33 29 31 31 2d 36 2d 34 2d 33 2d 35 2d 31 30 28 31 31 29 32 35 2d 38 2d 37 2d 31 35 2f 68 33 | 23)11-6-4-3-5-10(11)25-8-7-15/h3 |
3a580 | 2d 36 48 2c 37 2d 38 48 32 2c 31 2d 32 48 33 2c 28 48 32 2c 31 36 2c 31 37 2c 31 38 2c 31 39 2c | -6H,7-8H2,1-2H3,(H2,16,17,18,19, |
3a5a0 | 32 30 2c 32 31 29 00 00 e0 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 01 03 04 77 61 | 20,21)......._id.V..5+r.5o....wa |
3a5c0 | 72 6e 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 01 00 00 04 4d | rnings.......fingerprints......M |
3a5e0 | 50 32 44 00 e1 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 | P2D......0.....32;1-1-2;2-1-1;2- |
3a600 | 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 3b 32 2d 31 2d | 1-32;..1.....2;1-1-1;1-2-32;2-1- |
3a620 | 38 3b 00 02 32 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 | 8;..2.....1;1-1-2;1-1-8;2-1-3;2- |
3a640 | 32 2d 33 32 3b 00 02 33 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 32 | 2-32;..3."...8;1-1-1;1-1-3;2-1-2 |
3a660 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 34 00 29 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d | ;2-1-3;2-1-11;..4.)...3;1-1-3;1- |
3a680 | 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 31 35 3b 00 02 | 1-8;1-1-11;2-1-1;2-2-3;2-1-15;.. |
3a6a0 | 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 38 3b 32 2d 31 2d 31 | 5.....11;1-2-3;2-2-3;2-1-8;2-1-1 |
3a6c0 | 36 3b 00 02 36 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 36 3b | 6;..6.$...3;1-1-3;1-1-11;1-1-16; |
3a6e0 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 37 00 17 00 00 00 31 36 3b 31 2d 31 2d 33 3b 32 2d | 2-2-3;2-1-15;..7.....16;1-1-3;2- |
3a700 | 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 2b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | 1-3;2-1-11;..8.+...3;1-2-3;1-1-1 |
3a720 | 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 2d 31 39 3b 00 02 39 | 5;2-1-3;2-1-11;2-1-16;2-1-19;..9 |
3a740 | 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 |
3a760 | 3b 00 02 31 30 00 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 | ;..10.*...3;1-2-3;1-1-15;2-1-3;2 |
3a780 | 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 10 00 00 00 31 35 3b 31 | -1-8;2-1-11;2-1-19;..11.....15;1 |
3a7a0 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 32 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 | -1-3;2-2-3;..12.....19;1-1-3;2-2 |
3a7c0 | 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 | -3;....dataset_ids......0.V..4+r |
3a7e0 | ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 | .5o....1.V..:+r.5o....2.V..;+r.5 |
3a800 | 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 | o....3.V..<+r.5o....4.V..=+r.5o. |
3a820 | 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb | ...5.V..>+r.5o....6.V..?+r.5o... |
3a840 | 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 | .7.V..@+r.5o....8.V..A+r.5o....9 |
3a860 | 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 | .V..B+r.5o....10.V..C+r.5o.....f |
3a880 | 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 | eatures./....56ba0c342b72ed356f0 |
3a8a0 | 30 30 30 30 30 00 10 00 00 00 01 30 00 85 cf aa ad 68 5e ff 3f 00 00 02 73 6d 69 6c 65 73 00 1d | 00000......0.....h^.?...smiles.. |
3a8c0 | 00 00 00 4f 43 28 3d 4f 29 43 4f 63 31 6e 63 28 46 29 63 28 63 28 63 31 43 6c 29 4e 29 43 6c 00 | ...OC(=O)COc1nc(F)c(c(c1Cl)N)Cl. |
3a8e0 | 09 75 70 64 61 74 65 64 5f 61 74 00 ba e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at.....R....created_at. |
3a900 | 91 b2 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | ....R....default_fingerprint_siz |
3a920 | 65 00 0d 00 00 00 02 69 6e 63 68 69 00 56 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 35 43 6c | e......inchi.V...InChI=1S/C7H5Cl |
3a940 | 32 46 4e 32 4f 33 2f 63 38 2d 33 2d 35 28 31 31 29 34 28 39 29 37 28 31 32 2d 36 28 33 29 31 30 | 2FN2O3/c8-3-5(11)4(9)7(12-6(3)10 |
3a960 | 29 31 35 2d 31 2d 32 28 31 33 29 31 34 2f 68 31 48 32 2c 28 48 32 2c 31 31 2c 31 32 29 28 48 2c | )15-1-2(13)14/h1H2,(H2,11,12)(H, |
3a980 | 31 33 2c 31 34 29 00 00 a8 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 01 04 04 77 61 | 13,14)......._id.V..5+r.5o....wa |
3a9a0 | 72 6e 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 4d | rnings.......fingerprints......M |
3a9c0 | 50 32 44 00 82 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 31 | P2D......0.....4;1-1-4;2-1-1;..1 |
3a9e0 | 00 15 00 00 00 34 3b 31 2d 31 2d 31 3b 31 2d 31 2d 34 3b 32 2d 31 2d 32 3b 00 02 32 00 1b 00 00 | .....4;1-1-1;1-1-4;2-1-2;..2.... |
3aa00 | 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 34 3b 32 2d 32 2d 32 3b 32 2d 31 2d 34 3b 00 02 33 00 21 | .1;1-1-2;1-1-4;2-2-2;2-1-4;..3.! |
3aa20 | 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 34 3b 32 2d 31 | ...2;1-1-1;1-2-2;2-3-1;2-1-4;2-1 |
3aa40 | 2d 39 3b 00 02 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 | -9;..4.!...2;1-2-1;1-1-2;2-2-1;2 |
3aa60 | 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 35 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 | -1-2;2-1-8;..5.....1;1-1-2;2-1-1 |
3aa80 | 3b 32 2d 31 2d 32 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 | ;2-1-2;..6.!...1;1-1-1;1-1-2;1-1 |
3aaa0 | 2d 38 3b 32 2d 31 2d 31 3b 32 2d 33 2d 32 3b 00 02 37 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | -8;2-1-1;2-3-2;..7.!...1;1-1-1;1 |
3aac0 | 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 21 00 00 00 32 | -1-2;2-2-2;2-1-8;2-1-9;..8.!...2 |
3aae0 | 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 3b 00 | ;1-1-1;1-1-2;1-1-9;2-2-1;2-1-2;. |
3ab00 | 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 30 00 | .9.....9;1-1-2;2-1-1;2-1-2;..10. |
3ab20 | 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 32 3b 32 2d | !...8;1-1-1;1-1-2;2-2-1;2-1-2;2- |
3ab40 | 31 2d 39 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 | 1-9;..11.....2;1-1-1;1-1-8;1-1-9 |
3ab60 | 3b 32 2d 33 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 | ;2-3-1;..12.....9;1-1-2;2-1-1;2- |
3ab80 | 31 2d 38 3b 00 02 31 33 00 27 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 | 1-8;..13.'...1;1-2-1;1-1-2;2-4-1 |
3aba0 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 34 00 1b 00 00 00 31 3b 31 2d | ;2-1-2;2-1-8;2-1-9;..14.....1;1- |
3abc0 | 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 35 00 15 00 00 00 31 | 2-1;1-1-2;2-4-1;2-2-2;..15.....1 |
3abe0 | 3b 31 2d 34 2d 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 31 36 00 0f 00 00 00 31 3b 31 2d | ;1-4-1;2-2-1;2-2-2;..16.....1;1- |
3ac00 | 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 37 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | 1-1;2-3-1;..17.....2;1-1-1;1-1-2 |
3ac20 | 3b 32 2d 34 2d 31 3b 00 02 31 38 00 15 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d | ;2-4-1;..18.....2;1-2-1;1-1-2;2- |
3ac40 | 31 2d 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b | 1-1;....dataset_ids......0.V..4+ |
3ac60 | 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed | r.5o....1.V..:+r.5o....2.V..;+r. |
3ac80 | 35 6f 00 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f | 5o....3.V..;+r.5o....4.V..=+r.5o |
3aca0 | 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 | ....5.V..>+r.5o....6.V..?+r.5o.. |
3acc0 | cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 | ..7.V..@+r.5o....8.V..A+r.5o.... |
3ace0 | 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 | 9.V..B+r.5o....10.V..C+r.5o..... |
3ad00 | 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 | features./....56ba0c342b72ed356f |
3ad20 | 30 30 30 30 30 30 00 10 00 00 00 01 30 00 2a 71 b7 c1 7e 3d d4 3f 00 00 02 73 6d 69 6c 65 73 00 | 000000......0.*q..~=.?...smiles. |
3ad40 | 2c 00 00 00 43 23 43 43 43 31 3d 43 28 43 29 43 28 43 43 31 3d 4f 29 4f 43 28 3d 4f 29 43 31 43 | ,...C#CCC1=C(C)C(CC1=O)OC(=O)C1C |
3ad60 | 28 43 31 28 43 29 43 29 43 3d 43 28 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 06 e9 bf c6 | (C1(C)C)C=C(C)C..updated_at..... |
3ad80 | 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 97 b2 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 | R....created_at.....R....default |
3ada0 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 13 00 00 00 02 69 6e 63 68 69 00 6e 00 00 | _fingerprint_size......inchi.n.. |
3adc0 | 00 49 6e 43 68 49 3d 31 53 2f 43 31 39 48 32 34 4f 33 2f 63 31 2d 37 2d 38 2d 31 33 2d 31 32 28 | .InChI=1S/C19H24O3/c1-7-8-13-12( |
3ade0 | 34 29 31 36 28 31 30 2d 31 35 28 31 33 29 32 30 29 32 32 2d 31 38 28 32 31 29 31 37 2d 31 34 28 | 4)16(10-15(13)20)22-18(21)17-14( |
3ae00 | 39 2d 31 31 28 32 29 33 29 31 39 28 31 37 2c 35 29 36 2f 68 31 2c 39 2c 31 34 2c 31 36 2d 31 37 | 9-11(2)3)19(17,5)6/h1,9,14,16-17 |
3ae20 | 48 2c 38 2c 31 30 48 32 2c 32 2d 36 48 33 00 00 b5 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed | H,8,10H2,2-6H3......._id.V..5+r. |
3ae40 | 35 6f 00 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 | 5o....warnings.......fingerprint |
3ae60 | 73 00 ac 02 00 00 04 4d 50 32 44 00 a1 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; |
3ae80 | 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 34 3b 32 2d 31 | 2-2-1;..1.....1;1-2-1;1-1-14;2-1 |
3aea0 | 2d 31 3b 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 | -1;2-1-8;..2.....1;1-1-1;1-1-8;2 |
3aec0 | 2d 32 2d 31 3b 32 2d 31 2d 31 34 3b 00 02 33 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 33 2d | -2-1;2-1-14;..3.....8;1-2-1;2-3- |
3aee0 | 31 3b 32 2d 31 2d 33 3b 00 02 34 00 28 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 31 2d | 1;2-1-3;..4.(...1;1-2-1;1-1-3;1- |
3af00 | 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 35 00 22 00 00 00 31 | 1-8;2-2-1;2-2-3;2-1-11;..5."...1 |
3af20 | 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 32 2d 31 2d 31 34 3b | ;1-2-1;2-2-1;2-1-3;2-1-8;2-1-14; |
3af40 | 00 02 36 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 2d 32 | ..6.)...1;1-1-1;1-1-11;2-1-1;2-2 |
3af60 | 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 37 00 2a 00 00 00 31 31 3b 31 2d 31 2d 31 | -3;2-1-8;2-1-11;..7.*...11;1-1-1 |
3af80 | 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 |
3afa0 | 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 2d | ;..8.....3;1-2-11;2-1-1;2-1-3;2- |
3afc0 | 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 31 | 1-11;..9.....11;1-2-3;2-2-11;..1 |
3afe0 | 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 31 | 0.....3;1-2-11;2-1-3;2-1-11;..11 |
3b000 | 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 33 | .$...11;1-1-3;1-1-11;2-1-1;2-1-3 |
3b020 | 3b 32 2d 31 2d 31 31 3b 00 02 31 32 00 28 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 | ;2-1-11;..12.(...3;1-1-1;1-2-3;2 |
3b040 | 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 31 33 00 15 00 00 | -2-1;2-2-3;2-1-8;2-1-15;..13.... |
3b060 | 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 16 00 00 00 33 3b | .3;1-2-3;2-1-1;2-2-3;..14.....3; |
3b080 | 31 2d 32 2d 33 3b 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 | 1-2-3;2-2-3;2-1-15;..15.....3;1- |
3b0a0 | 32 2d 33 3b 31 2d 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 | 2-3;1-1-15;2-2-3;..16.....3;1-2- |
3b0c0 | 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 31 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b | 3;2-2-3;2-2-15;..17.....3;1-2-3; |
3b0e0 | 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 38 00 10 00 00 00 31 35 3b 31 | 1-1-15;2-1-1;2-2-3;..18.....15;1 |
3b100 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 | -1-3;2-2-3;....dataset_ids...... |
3b120 | 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 | 0.V..4+r.5o....1.V..:+r.5o....2. |
3b140 | 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba | V..;+r.5o....3.V..<+r.5o....4.V. |
3b160 | 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba 0c 3f | .=+r.5o....5.V..=+r.5o....6.V..? |
3b180 | 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 | +r.5o....7.V..@+r.5o....8.V..A+r |
3b1a0 | ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed | .5o....9.V..B+r.5o....10.V..C+r. |
3b1c0 | 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 | 5o.....features./....56ba0c342b7 |
3b1e0 | 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 5c fa 51 cf 0d 99 91 3f 00 00 02 | 2ed356f000000......0.\.Q....?... |
3b200 | 73 6d 69 6c 65 73 00 24 00 00 00 42 72 43 31 43 4f 43 28 43 31 29 28 43 6e 31 63 6e 63 6e 31 29 | smiles.$...BrC1COC(C1)(Cn1cncn1) |
3b220 | 63 31 63 63 63 28 63 63 31 43 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 7a e9 bf c6 52 | c1ccc(cc1Cl)Cl..updated_at.z...R |
3b240 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 9d b2 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.....R....default_ |
3b260 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 13 00 00 00 02 69 6e 63 68 69 00 64 00 00 00 | fingerprint_size......inchi.d... |
3b280 | 49 6e 43 68 49 3d 31 53 2f 43 31 33 48 31 32 42 72 43 6c 32 4e 33 4f 2f 63 31 34 2d 39 2d 34 2d | InChI=1S/C13H12BrCl2N3O/c14-9-4- |
3b2a0 | 31 33 28 32 30 2d 35 2d 39 2c 36 2d 31 39 2d 38 2d 31 37 2d 37 2d 31 38 2d 31 39 29 31 31 2d 32 | 13(20-5-9,6-19-8-17-7-18-19)11-2 |
3b2c0 | 2d 31 2d 31 30 28 31 35 29 33 2d 31 32 28 31 31 29 31 36 2f 68 31 2d 33 2c 37 2d 39 48 2c 34 2d | -1-10(15)3-12(11)16/h1-3,7-9H,4- |
3b2e0 | 36 48 32 00 00 d7 02 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 01 06 04 77 61 72 6e 69 | 6H2......._id.V..5+r.5o....warni |
3b300 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 0f 01 00 00 04 4d 50 32 44 | ngs.......fingerprints......MP2D |
3b320 | 00 04 01 00 00 02 30 00 11 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 00 | ......0.....19;1-1-3;2-2-11;..1. |
3b340 | 25 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 | %...3;1-2-11;1-1-19;2-1-3;2-1-11 |
3b360 | 3b 32 2d 31 2d 31 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 | ;2-1-13;..2.....11;1-2-3;2-2-11; |
3b380 | 32 2d 31 2d 31 39 3b 00 02 33 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d | 2-1-19;..3.....3;1-2-11;2-1-3;2- |
3b3a0 | 31 2d 31 31 3b 00 02 34 00 25 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 | 1-11;..4.%...11;1-1-3;1-1-11;2-1 |
3b3c0 | 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 02 35 00 2c 00 00 00 31 31 3b 31 2d 31 2d | -3;2-1-11;2-1-13;..5.,...11;1-1- |
3b3e0 | 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 31 3b 32 2d 31 | 3;1-1-11;1-1-13;2-1-3;2-1-11;2-1 |
3b400 | 2d 31 39 3b 00 02 36 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 | -19;..6.....13;1-1-11;2-1-3;2-1- |
3b420 | 31 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 | 11;....dataset_ids......0.V..4+r |
3b440 | ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 | .5o....1.V..:+r.5o....2.V..;+r.5 |
3b460 | 6f 00 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 | o....3.V..;+r.5o....4.V..=+r.5o. |
3b480 | 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc | ...5.V..>+r.5o....6.V..?+r.5o... |
3b4a0 | 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 | .7.V..@+r.5o....8.V..A+r.5o....9 |
3b4c0 | 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 | .V..B+r.5o....10.V..C+r.5o.....f |
3b4e0 | 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 | eatures.:....56ba0c342b72ed356f0 |
3b500 | 30 30 30 30 30 00 1b 00 00 00 01 30 00 77 a7 13 33 7c 72 9e 3f 01 31 00 77 a7 13 33 7c 72 ae 3f | 00000......0.w..3|r.?.1.w..3|r.? |
3b520 | 00 00 02 73 6d 69 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 | ...smiles.....Nc1ncn[nH]1..updat |
3b540 | 65 64 5f 61 74 00 f2 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a2 b2 bf c6 52 01 | ed_at.....R....created_at.....R. |
3b560 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 07 00 00 00 | ...default_fingerprint_size..... |
3b580 | 02 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 | .inchi.0...InChI=1S/C2H4N4/c3-2- |
3b5a0 | 34 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 00 cb 04 00 00 | 4-1-5-6-2/h1H,(H3,3,4,5,6)...... |
3b5c0 | 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 01 07 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V..5+r.5o....warnings...... |
3b5e0 | 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 00 10 | .fingerprints......MP2D.t....0.. |
3b600 | 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 31 2d | ...9;1-1-2;2-2-28;..1.....2;1-1- |
3b620 | 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 38 3b | 9;1-2-28;2-1-2;2-1-3;..2.....28; |
3b640 | 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 00 00 | 1-2-2;2-1-3;2-2-9;2-1-28;..3.".. |
3b660 | 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- |
3b680 | 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 3b 00 | 3;..4.....9;1-1-2;2-1-3;2-1-28;. |
3b6a0 | 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 2d 39 | .5.)...3;1-1-2;1-2-3;2-2-3;2-1-9 |
3b6c0 | 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 3b 31 | ;2-2-16;2-1-28;..6.....3;1-2-3;1 |
3b6e0 | 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 2d 31 | -1-16;2-1-2;2-2-3;..7.....16;1-1 |
3b700 | 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 3b 32 | -3;2-2-3;..8.....3;1-2-3;2-2-3;2 |
3b720 | 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 31 30 | -1-16;..9.....3;1-2-3;2-2-3;..10 |
3b740 | 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 2d 39 3b | .#...28;1-1-2;1-1-3;2-2-3;2-1-9; |
3b760 | 32 2d 31 2d 32 38 3b 00 02 31 31 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 | 2-1-28;..11.#...3;1-2-3;1-1-28;2 |
3b780 | 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 31 32 00 1d 00 00 00 33 3b 31 2d 32 | -1-2;2-2-3;2-1-16;..12.....3;1-2 |
3b7a0 | 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 33 00 1d 00 00 00 | -3;2-2-3;2-1-15;2-1-28;..13..... |
3b7c0 | 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 36 3b 00 02 31 34 | 3;1-2-3;1-1-15;2-2-3;2-1-16;..14 |
3b7e0 | 00 10 00 00 00 31 35 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 | .....15;1-1-3;2-2-3;..15.....3;1 |
3b800 | 2d 32 2d 33 3b 31 2d 31 2d 31 36 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 35 3b 00 02 31 36 00 1d 00 | -2-3;1-1-16;2-2-3;2-2-15;..16... |
3b820 | 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 36 3b 00 02 | ..3;1-2-3;1-1-15;2-2-3;2-2-16;.. |
3b840 | 31 37 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 | 17.$...3;1-2-3;1-1-16;2-2-3;2-1- |
3b860 | 31 35 3b 32 2d 31 2d 32 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 | 15;2-1-28;....dataset_ids......0 |
3b880 | 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 | .V..4+r.5o....1.V..9+r.5o....2.V |
3b8a0 | ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 34 00 56 ba 0c | ..:+r.5o....3.V..;+r.5o....4.V.. |
3b8c0 | 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 36 00 56 ba 0c 3d 2b | <+r.5o....5.V..<+r.5o....6.V..=+ |
3b8e0 | 72 ed 35 6f 00 01 c8 07 37 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 38 00 56 ba 0c 3f 2b 72 ed | r.5o....7.V..>+r.5o....8.V..?+r. |
3b900 | 35 6f 00 01 cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c 41 2b 72 ed 35 | 5o....9.V..@+r.5o....10.V..A+r.5 |
3b920 | 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed 35 | o....11.V..B+r.5o....12.V..C+r.5 |
3b940 | 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 | o.....features.:....56ba0c342b72 |
3b960 | 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 79 ba 92 ad fd 76 b1 3f 01 31 00 c3 | ed356f000000......0.y....v.?.1.. |
3b980 | 15 0d 9d 07 cb b0 3f 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 | ......?...smiles.-...O=C(NC(=O)c |
3b9a0 | 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) |
3b9c0 | 46 00 09 75 70 64 61 74 65 64 5f 61 74 00 2d e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 | F..updated_at.-...R....created_a |
3b9e0 | 74 00 a8 b2 bf c6 52 01 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....default_fingerprint_s |
3ba00 | 69 7a 65 00 12 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 |
3ba20 | 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 |
3ba40 | 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 |
3ba60 | 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 |
3ba80 | 33 2c 32 34 29 00 00 41 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 01 08 04 77 61 72 | 3,24)..A...._id.V..5+r.5o....war |
3baa0 | 6e 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 |
3bac0 | 32 44 00 44 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.D....0.....15;1-1-3;2-2-3;..1 |
3bae0 | 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... |
3bb00 | 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 |
3bb20 | 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 |
3bb40 | 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 1c 00 00 00 38 3b | -3;1-1-8;2-2-3;2-1-30;..5.....8; |
3bb60 | 31 2d 31 2d 33 3b 31 2d 31 2d 33 30 3b 32 2d 33 2d 33 3b 32 2d 32 2d 39 3b 00 02 36 00 1c 00 00 | 1-1-3;1-1-30;2-3-3;2-2-9;..6.... |
3bb80 | 00 33 30 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 32 2d 39 3b 32 2d 33 2d 33 3b 00 02 37 00 | .30;1-1-3;1-1-8;1-2-9;2-3-3;..7. |
3bba0 | 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 39 3b 00 | ....9;1-1-30;2-1-3;2-1-8;2-1-9;. |
3bbc0 | 02 38 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 | .8."...3;1-2-3;1-1-30;2-2-3;2-1- |
3bbe0 | 38 3b 32 2d 32 2d 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 | 8;2-2-9;..9.....3;1-2-3;2-2-3;2- |
3bc00 | 31 2d 33 30 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 | 1-30;....dataset_ids......0.V..4 |
3bc20 | 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 | +r.5o....1.V..:+r.5o....2.V..;+r |
3bc40 | ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 | .5o....3.V..<+r.5o....4.V..=+r.5 |
3bc60 | 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 | o....5.V..>+r.5o....6.V..?+r.5o. |
3bc80 | 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 | ...7.V..@+r.5o....8.V..A+r.5o... |
3bca0 | 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 | .9.V..B+r.5o....10.V..C+r.5o.... |
3bcc0 | 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 | .features./....56ba0c342b72ed356 |
3bce0 | 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 ab 48 68 72 82 e3 80 3f 00 00 02 73 6d 69 6c 65 73 | f000000......0..Hhr...?...smiles |
3bd00 | 00 23 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 | .#...Clc1ccc(cc1)OS(=O)(=O)c1ccc |
3bd20 | 28 63 63 31 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 e4 e9 bf c6 52 01 00 00 09 63 72 65 | (cc1)Cl..updated_at.....R....cre |
3bd40 | 61 74 65 64 5f 61 74 00 ae b2 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at.....R....default_fingerp |
3bd60 | 72 69 6e 74 5f 73 69 7a 65 00 0a 00 00 00 02 69 6e 63 68 69 00 4e 00 00 00 49 6e 43 68 49 3d 31 | rint_size......inchi.N...InChI=1 |
3bd80 | 53 2f 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 | S/C12H8Cl2O3S/c13-9-1-5-11(6-2-9 |
3bda0 | 29 31 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 | )17-18(15,16)12-7-3-10(14)4-8-12 |
3bdc0 | 2f 68 31 2d 38 48 00 00 e4 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 01 09 04 77 61 | /h1-8H......._id.V..5+r.5o....wa |
3bde0 | 72 6e 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 02 00 00 04 4d | rnings.......fingerprints......M |
3be00 | 50 32 44 00 76 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 | P2D.v....0.....2;1-1-2;2-1-1;..1 |
3be20 | 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 0f 00 00 | .....2;1-1-1;1-1-2;2-1-2;..2.... |
3be40 | 00 31 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 | .1;1-2-2;2-3-2;..3.!...2;1-1-1;1 |
3be60 | 2d 32 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 | -2-2;2-3-1;2-1-2;2-1-9;..4.!...2 |
3be80 | 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 38 3b 00 | ;1-2-1;1-1-2;2-2-1;2-1-2;2-1-8;. |
3bea0 | 02 35 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 | .5.....1;1-1-2;2-1-1;2-1-2;..6.! |
3bec0 | 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 31 3b 32 2d 33 | ...1;1-1-1;1-1-2;1-1-8;2-1-1;2-3 |
3bee0 | 2d 32 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 | -2;..7.!...1;1-1-1;1-1-2;2-2-2;2 |
3bf00 | 2d 31 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 | -1-8;2-1-9;..8.!...2;1-1-1;1-1-2 |
3bf20 | 3b 31 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 | ;1-1-9;2-2-1;2-1-2;..9.....9;1-1 |
3bf40 | 2d 32 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 | -2;2-1-1;2-1-2;..10.!...8;1-1-1; |
3bf60 | 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 31 00 1b 00 00 | 1-1-2;2-2-1;2-1-2;2-1-9;..11.... |
3bf80 | 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 32 00 | .2;1-1-1;1-1-8;1-1-9;2-3-1;..12. |
3bfa0 | 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 27 00 00 | ....9;1-1-2;2-1-1;2-1-8;..13.'.. |
3bfc0 | 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 38 | .1;1-2-1;1-1-2;2-4-1;2-1-2;2-1-8 |
3bfe0 | 3b 32 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 | ;2-1-9;..14.....1;1-2-1;1-1-2;2- |
3c000 | 34 2d 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 | 4-1;2-2-2;..15.....1;1-4-1;2-2-1 |
3c020 | 3b 32 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 | ;2-2-2;..16.....1;1-1-1;2-3-1;.. |
3c040 | 31 37 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 34 2d 31 3b 00 02 31 38 00 | 17.....2;1-1-1;1-1-2;2-4-1;..18. |
3c060 | 15 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 00 00 00 04 64 61 74 61 | ....2;1-2-1;1-1-2;2-1-1;....data |
3c080 | 73 65 74 5f 69 64 73 00 db 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba | set_ids......0.V..4+r.5o....1.V. |
3c0a0 | 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3b | .:+r.5o....2.V..;+r.5o....3.V..; |
3c0c0 | 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 ba 0c 3d 2b 72 | +r.5o....4.V..<+r.5o....5.V..=+r |
3c0e0 | ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 | .5o....6.V..>+r.5o....7.V..?+r.5 |
3c100 | 6f 00 01 cb 07 38 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 | o....8.V..?+r.5o....9.V..@+r.5o. |
3c120 | 01 ce 07 31 30 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 31 31 00 56 ba 0c 41 2b 72 ed 35 6f 00 | ...10.V..A+r.5o....11.V..A+r.5o. |
3c140 | 01 d0 07 31 32 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 33 00 56 ba 0c 43 2b 72 ed 35 6f 00 | ...12.V..B+r.5o....13.V..C+r.5o. |
3c160 | 01 d4 00 03 66 65 61 74 75 72 65 73 00 45 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 | ....features.E....56ba0c342b72ed |
3c180 | 33 35 36 66 30 30 30 30 30 30 00 26 00 00 00 01 30 00 64 cb 93 4f c5 be cf 3f 01 31 00 3a 77 15 | 356f000000.&....0.d..O...?.1.:w. |
3c1a0 | 7f 7d bd b4 3f 01 32 00 29 54 04 a3 4d 5d a7 3f 00 00 02 73 6d 69 6c 65 73 00 2c 00 00 00 43 3d | .}..?.2.)T..M].?...smiles.,...C= |
3c1c0 | 43 43 43 31 3d 43 28 43 29 43 28 43 43 31 3d 4f 29 4f 43 28 3d 4f 29 43 31 43 28 43 31 28 43 29 | CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C) |
3c1e0 | 43 29 43 3d 43 28 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 18 ea bf c6 52 01 00 00 09 63 | C)C=C(C)C..updated_at.....R....c |
3c200 | 72 65 61 74 65 64 5f 61 74 00 b7 b2 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.....R....default_finge |
3c220 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 13 00 00 00 02 69 6e 63 68 69 00 70 00 00 00 49 6e 43 68 49 | rprint_size......inchi.p...InChI |
3c240 | 3d 31 53 2f 43 31 39 48 32 36 4f 33 2f 63 31 2d 37 2d 38 2d 31 33 2d 31 32 28 34 29 31 36 28 31 | =1S/C19H26O3/c1-7-8-13-12(4)16(1 |
3c260 | 30 2d 31 35 28 31 33 29 32 30 29 32 32 2d 31 38 28 32 31 29 31 37 2d 31 34 28 39 2d 31 31 28 32 | 0-15(13)20)22-18(21)17-14(9-11(2 |
3c280 | 29 33 29 31 39 28 31 37 2c 35 29 36 2f 68 37 2c 39 2c 31 34 2c 31 36 2d 31 37 48 2c 31 2c 38 2c | )3)19(17,5)6/h7,9,14,16-17H,1,8, |
3c2a0 | 31 30 48 32 2c 32 2d 36 48 33 00 00 9b 02 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 01 | 10H2,2-6H3......._id.V..5+r.5o.. |
3c2c0 | 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 6e 74 73 00 d8 00 | ..warnings.......fingerprints... |
3c2e0 | 00 00 04 4d 50 32 44 00 cd 00 00 00 02 30 00 0f 00 00 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 2d 33 | ...MP2D......0.....7;1-1-4;2-1-3 |
3c300 | 3b 00 02 31 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 00 02 32 | ;..1.....4;1-1-3;1-1-7;2-2-3;..2 |
3c320 | 00 22 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 | ."...3;1-2-3;1-1-4;2-2-3;2-1-7;2 |
3c340 | 2d 32 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 | -2-15;..3.....3;1-2-3;1-1-15;2-2 |
3c360 | 2d 33 3b 32 2d 31 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 | -3;2-1-4;..4.....15;1-1-3;2-2-3; |
3c380 | 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 02 36 | ..5.....3;1-2-3;2-2-3;2-1-15;..6 |
3c3a0 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 | .....3;1-2-3;2-2-3;....dataset_i |
3c3c0 | 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed | ds......0.V..4+r.5o....1.V..:+r. |
3c3e0 | 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f | 5o....2.V..;+r.5o....3.V..<+r.5o |
3c400 | 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 | ....4.V..=+r.5o....5.V..>+r.5o.. |
3c420 | ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 | ..6.V..?+r.5o....7.V..@+r.5o.... |
3c440 | 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 | 8.V..A+r.5o....9.V..B+r.5o....10 |
3c460 | 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 | .V..C+r.5o.....features./....56b |
3c480 | 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 e4 ee 3d | a0c342b72ed356f000000......0...= |
3c4a0 | 8d f5 c3 8d 3f 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 | ....?...smiles.....N#Cc1c(Cl)ccc |
3c4c0 | 63 31 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 9a e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 | c1Cl..updated_at.....R....create |
3c4e0 | 64 5f 61 74 00 bd b2 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.....R....default_fingerprin |
3c500 | 74 5f 73 69 7a 65 00 07 00 00 00 02 69 6e 63 68 69 00 30 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.0...InChI=1S/C |
3c520 | 37 48 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 | 7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/ |
3c540 | 68 31 2d 33 48 00 00 42 03 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 01 0b 04 77 61 72 | h1-3H..B...._id.V..5+r.5o....war |
3c560 | 6e 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 00 04 4d 50 | nings.......fingerprints.Q....MP |
3c580 | 32 44 00 46 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 | 2D.F....0.....3;1-2-3;2-2-3;..1. |
3c5a0 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 32 00 0f 00 00 00 33 3b 31 2d 33 2d | ....3;1-2-3;2-3-3;..2.....3;1-3- |
3c5c0 | 33 3b 32 2d 34 2d 33 3b 00 02 33 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d | 3;2-4-3;..3.....3;1-3-3;2-4-3;2- |
3c5e0 | 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 31 2d 38 3b | 1-8;..4.....3;1-2-3;2-2-3;2-1-8; |
3c600 | 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 33 2d | ..5.....3;1-2-3;1-1-8;2-1-1;2-3- |
3c620 | 33 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 | 3;..6.....8;1-1-1;1-1-3;2-1-1;2- |
3c640 | 32 2d 33 3b 00 02 37 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 | 2-3;..7.!...1;1-1-1;1-1-8;2-1-1; |
3c660 | 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d | 2-1-3;2-1-8;..8.....1;1-2-1;1-1- |
3c680 | 38 3b 32 2d 31 2d 31 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 | 8;2-1-1;2-2-8;..9.....1;1-1-1;1- |
3c6a0 | 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 30 00 0f 00 00 00 38 3b 31 2d 32 2d 31 | 1-8;2-2-1;2-1-8;..10.....8;1-2-1 |
3c6c0 | 3b 32 2d 33 2d 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba | ;2-3-1;....dataset_ids......0.V. |
3c6e0 | 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a | .4+r.5o....1.V..:+r.5o....2.V..: |
3c700 | 2b 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 | +r.5o....3.V..<+r.5o....4.V..=+r |
3c720 | ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 | .5o....5.V..>+r.5o....6.V..?+r.5 |
3c740 | 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 | o....7.V..@+r.5o....8.V..A+r.5o. |
3c760 | 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 | ...9.V..B+r.5o....10.V..C+r.5o.. |
3c780 | d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 | ...features./....56ba0c342b72ed3 |
3c7a0 | 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 23 6d e6 be 8e ad 01 40 00 00 02 73 6d 69 6c | 56f000000......0.#m.....@...smil |
3c7c0 | 65 73 00 1a 00 00 00 63 31 63 63 63 28 63 63 31 29 63 31 63 63 63 63 63 31 4f 43 43 31 43 4f 31 | es.....c1ccc(cc1)c1ccccc1OCC1CO1 |
3c7e0 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 a9 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.....R....created_at |
3c800 | 00 c2 b2 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | .....R....default_fingerprint_si |
3c820 | 7a 65 00 0b 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 35 48 31 | ze......inchi.V...InChI=1S/C15H1 |
3c840 | 34 4f 32 2f 63 31 2d 32 2d 36 2d 31 32 28 37 2d 33 2d 31 29 31 34 2d 38 2d 34 2d 35 2d 39 2d 31 | 4O2/c1-2-6-12(7-3-1)14-8-4-5-9-1 |
3c860 | 35 28 31 34 29 31 37 2d 31 31 2d 31 33 2d 31 30 2d 31 36 2d 31 33 2f 68 31 2d 39 2c 31 33 48 2c | 5(14)17-11-13-10-16-13/h1-9,13H, |
3c880 | 31 30 2d 31 31 48 32 00 00 ab 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 01 0c 04 77 | 10-11H2......._id.V..5+r.5o....w |
3c8a0 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 75 02 00 00 04 | arnings.......fingerprints.u.... |
3c8c0 | 4d 50 32 44 00 6a 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 | MP2D.j....0.....1;1-1-9;2-1-6;.. |
3c8e0 | 31 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 32 00 21 00 | 1.....9;1-1-1;1-1-6;2-1-2;..2.!. |
3c900 | 00 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 32 3b 32 2d 31 2d | ..6;1-1-2;1-1-9;2-1-1;2-1-2;2-1- |
3c920 | 33 3b 00 02 33 00 27 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 | 3;..3.'...2;1-1-2;1-1-3;1-1-6;2- |
3c940 | 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 34 00 27 00 00 00 33 3b 31 2d 31 2d 32 3b | 2-3;2-1-8;2-2-9;..4.'...3;1-1-2; |
3c960 | 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 36 3b 00 02 | 1-2-3;2-1-1;2-1-2;2-2-3;2-1-6;.. |
3c980 | 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... |
3c9a0 | 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 32 2d 33 3b | ..3;1-2-3;2-2-3;..7.....3;1-2-3; |
3c9c0 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d | 2-1-1;2-2-3;..8.!...3;1-1-1;1-2- |
3c9e0 | 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 39 00 15 00 00 00 31 3b 31 2d | 3;2-1-2;2-2-3;2-1-8;..9.....1;1- |
3ca00 | 31 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 31 30 00 15 00 00 00 38 3b 31 2d 31 2d 31 | 1-3;1-1-8;2-3-3;..10.....8;1-1-1 |
3ca20 | 3b 31 2d 31 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 31 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | ;1-1-3;2-3-3;..11.....3;1-2-3;1- |
3ca40 | 31 2d 38 3b 32 2d 32 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 | 1-8;2-2-1;2-2-3;..12.....3;1-2-3 |
3ca60 | 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 31 2d 31 3b 31 2d | ;2-2-3;2-1-8;..13.....3;1-1-1;1- |
3ca80 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 34 00 0f 00 00 00 31 3b 31 2d 31 2d 33 | 2-3;2-2-3;2-1-8;..14.....1;1-1-3 |
3caa0 | 3b 32 2d 32 2d 33 3b 00 02 31 35 00 27 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 31 2d | ;2-2-3;..15.'...2;1-1-2;1-1-8;1- |
3cac0 | 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 36 00 15 00 00 00 39 | 1-9;2-1-1;2-1-3;2-1-6;..16.....9 |
3cae0 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 37 00 1b 00 00 00 38 3b 31 2d | ;1-1-2;2-1-2;2-1-8;..17.....8;1- |
3cb00 | 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 31 38 00 0f 00 00 00 31 | 1-1;1-1-2;2-1-2;2-1-9;..18.....1 |
3cb20 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 | ;1-1-8;2-1-2;....dataset_ids.... |
3cb40 | 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 | ..0.V..4+r.5o....1.V..:+r.5o.... |
3cb60 | 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 | 2.V..;+r.5o....3.V..<+r.5o....4. |
3cb80 | 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba | V..=+r.5o....5.V..=+r.5o....6.V. |
3cba0 | 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 38 00 56 ba 0c 40 | .>+r.5o....7.V..?+r.5o....8.V..@ |
3cbc0 | 2b 72 ed 35 6f 00 01 cd 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c 41 2b | +r.5o....9.V..@+r.5o....10.V..A+ |
3cbe0 | 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b | r.5o....11.V..B+r.5o....12.V..C+ |
3cc00 | 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 | r.5o.....features.:....56ba0c342 |
3cc20 | 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 cb 56 14 e7 e6 25 f3 3f 01 | b72ed356f000000......0..V...%.?. |
3cc40 | 31 00 7a f9 c8 13 8b e4 f2 3f 00 00 02 73 6d 69 6c 65 73 00 22 00 00 00 43 4f 4e 3d 43 28 63 31 | 1.z......?...smiles."...CON=C(c1 |
3cc60 | 63 63 63 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 | ccccc1COc1ccccc1C)C(=O)OC..updat |
3cc80 | 65 64 5f 61 74 00 d1 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c8 b2 bf c6 52 01 | ed_at.....R....created_at.....R. |
3cca0 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 13 00 00 00 | ...default_fingerprint_size..... |
3ccc0 | 02 69 6e 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 | .inchi.h...InChI=1S/C18H19NO4/c1 |
3cce0 | 2d 31 33 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 | -13-8-4-7-11-16(13)23-12-14-9-5- |
3cd00 | 36 2d 31 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 | 6-10-15(14)17(19-22-3)18(20)21-2 |
3cd20 | 2f 68 34 2d 31 31 48 2c 31 32 48 32 2c 31 2d 33 48 33 00 00 e0 03 00 00 07 5f 69 64 00 56 ba 0c | /h4-11H,12H2,1-3H3......._id.V.. |
3cd40 | 35 2b 72 ed 35 6f 00 01 0d 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | 5+r.5o....warnings.......fingerp |
3cd60 | 72 69 6e 74 73 00 b3 01 00 00 04 4d 50 32 44 00 a8 01 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 | rints......MP2D......0.....1;1-1 |
3cd80 | 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 32 2d 31 3b | -1;2-1-1;2-1-19;..1.....1;1-2-1; |
3cda0 | 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 39 3b 31 2d | 1-1-19;2-1-1;2-1-3;..2.....19;1- |
3cdc0 | 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 00 00 33 3b | 2-1;1-1-3;2-4-1;2-2-3;..3.#...3; |
3cde0 | 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; |
3ce00 | 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 3b 32 2d 32 | ..4.#...3;1-2-3;1-1-19;2-2-3;2-2 |
3ce20 | 2d 39 3b 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 | -9;2-1-19;..5.....3;1-2-3;2-2-3; |
3ce40 | 32 2d 31 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 | 2-1-19;2-1-30;..6."...3;1-2-3;1- |
3ce60 | 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 37 00 16 00 00 00 31 | 1-30;2-2-3;2-1-5;2-2-9;..7.....1 |
3ce80 | 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 00 39 3b 31 2d | 9;1-1-3;1-2-9;2-2-3;..8.....9;1- |
3cea0 | 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 30 3b 31 2d 31 2d | 1-19;2-1-3;2-1-9;..9.....30;1-1- |
3cec0 | 33 3b 31 2d 31 2d 35 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 31 30 00 1c 00 00 00 39 3b 31 | 3;1-1-5;1-2-9;2-2-3;..10.....9;1 |
3cee0 | 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 31 31 00 16 00 00 | -1-30;2-1-3;2-1-5;2-1-9;..11.... |
3cf00 | 00 35 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 00 00 04 64 61 74 61 73 65 | .5;1-1-30;2-1-3;2-2-9;....datase |
3cf20 | 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a | t_ids......0.V..4+r.5o....1.V..: |
3cf40 | 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 | +r.5o....2.V..;+r.5o....3.V..<+r |
3cf60 | ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 | .5o....4.V..=+r.5o....5.V..=+r.5 |
3cf80 | 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 | o....6.V..?+r.5o....7.V..@+r.5o. |
3cfa0 | 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 | ...8.V..A+r.5o....9.V..B+r.5o... |
3cfc0 | 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 | .10.V..C+r.5o.....features.:.... |
3cfe0 | 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 | 56ba0c342b72ed356f000000......0. |
3d000 | 26 fa 4d aa 6b 3e bb 3f 01 31 00 cc 3a e7 78 4f a1 c0 3f 00 00 02 73 6d 69 6c 65 73 00 32 00 00 | &.M.k>.?.1..:.xO..?...smiles.2.. |
3d020 | 00 43 43 28 4e 28 63 31 63 28 63 63 28 63 63 31 4e 28 3d 4f 29 3d 4f 29 53 28 3d 4f 29 28 3d 4f | .CC(N(c1c(cc(cc1N(=O)=O)S(=O)(=O |
3d040 | 29 4e 29 4e 28 3d 4f 29 3d 4f 29 43 28 43 29 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 63 | )N)N(=O)=O)C(C)C)C..updated_at.c |
3d060 | e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ce b2 bf c6 52 01 00 00 10 64 65 66 61 | ...R....created_at.....R....defa |
3d080 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0c 00 00 00 02 69 6e 63 68 69 00 | ult_fingerprint_size......inchi. |
3d0a0 | 6f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 38 4e 34 4f 36 53 2f 63 31 2d 37 28 32 29 | o...InChI=1S/C12H18N4O6S/c1-7(2) |
3d0c0 | 31 34 28 38 28 33 29 34 29 31 32 2d 31 30 28 31 35 28 31 37 29 31 38 29 35 2d 39 28 32 33 28 31 | 14(8(3)4)12-10(15(17)18)5-9(23(1 |
3d0e0 | 33 2c 32 31 29 32 32 29 36 2d 31 31 28 31 32 29 31 36 28 31 39 29 32 30 2f 68 35 2d 38 48 2c 31 | 3,21)22)6-11(12)16(19)20/h5-8H,1 |
3d100 | 2d 34 48 33 2c 28 48 32 2c 31 33 2c 32 31 2c 32 32 29 00 00 94 03 00 00 07 5f 69 64 00 56 ba 0c | -4H3,(H2,13,21,22)......._id.V.. |
3d120 | 35 2b 72 ed 35 6f 00 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 | 5+r.5o....warnings.......fingerp |
3d140 | 72 69 6e 74 73 00 a8 01 00 00 04 4d 50 32 44 00 9d 01 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d | rints......MP2D......0.....15;1- |
3d160 | 31 2d 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 | 1-3;2-2-3;..1.....3;1-2-3;1-1-15 |
3d180 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d | ;2-1-3;2-1-11;..2.....3;1-1-3;1- |
3d1a0 | 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 33 00 10 00 00 00 31 31 3b 31 2d 32 | 1-11;2-2-3;2-1-15;..3.....11;1-2 |
3d1c0 | 2d 33 3b 32 2d 33 2d 33 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b | -3;2-3-3;..4.....3;1-2-3;1-1-11; |
3d1e0 | 32 2d 31 2d 32 3b 32 2d 34 2d 33 3b 00 02 35 00 16 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 33 2d | 2-1-2;2-4-3;..5.....3;1-3-3;2-3- |
3d200 | 33 3b 32 2d 31 2d 31 31 3b 00 02 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 | 3;2-1-11;..6.....3;1-2-3;2-3-3;2 |
3d220 | 2d 31 2d 31 35 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 | -1-15;..7.....3;1-2-3;2-3-3;..8. |
3d240 | 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 1c 00 00 | ....3;1-2-3;2-2-3;2-1-15;..9.... |
3d260 | 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 30 | .3;1-2-3;1-1-15;2-1-2;2-2-3;..10 |
3d280 | 00 2a 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 31 3b | .*...3;1-1-2;1-2-3;2-2-3;2-1-11; |
3d2a0 | 32 2d 31 2d 31 35 3b 32 2d 32 2d 33 32 3b 00 02 31 31 00 16 00 00 00 32 3b 31 2d 31 2d 33 3b 31 | 2-1-15;2-2-32;..11.....2;1-1-3;1 |
3d2c0 | 2d 32 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 31 32 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d | -2-32;2-2-3;..12.....32;1-1-2;2- |
3d2e0 | 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 | 1-3;2-1-32;....dataset_ids...... |
3d300 | 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 | 0.V..4+r.5o....1.V..:+r.5o....2. |
3d320 | 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba | V..;+r.5o....3.V..<+r.5o....4.V. |
3d340 | 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f | .=+r.5o....5.V..>+r.5o....6.V..? |
3d360 | 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 | +r.5o....7.V..@+r.5o....8.V..A+r |
3d380 | ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 30 00 56 ba 0c 43 2b 72 ed | .5o....9.V..B+r.5o....10.V..C+r. |
3d3a0 | 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 | 5o.....features./....56ba0c342b7 |
3d3c0 | 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 51 a8 fe 88 ce 04 09 40 00 00 02 | 2ed356f000000......0.Q......@... |
3d3e0 | 73 6d 69 6c 65 73 00 1d 00 00 00 43 6c 63 31 63 6e 63 32 63 28 63 31 29 63 63 63 28 63 32 43 28 | smiles.....Clc1cnc2c(c1)ccc(c2C( |
3d400 | 3d 4f 29 4f 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 4a ea bf c6 52 01 00 00 09 63 72 65 | =O)O)Cl..updated_at.J...R....cre |
3d420 | 61 74 65 64 5f 61 74 00 d6 b2 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at.....R....default_fingerp |
3d440 | 72 69 6e 74 5f 73 69 7a 65 00 0d 00 00 00 02 69 6e 63 68 69 00 4e 00 00 00 49 6e 43 68 49 3d 31 | rint_size......inchi.N...InChI=1 |
3d460 | 53 2f 43 31 30 48 35 43 6c 32 4e 4f 32 2f 63 31 31 2d 36 2d 33 2d 35 2d 31 2d 32 2d 37 28 31 32 | S/C10H5Cl2NO2/c11-6-3-5-1-2-7(12 |
3d480 | 29 38 28 31 30 28 31 34 29 31 35 29 39 28 35 29 31 33 2d 34 2d 36 2f 68 31 2d 34 48 2c 28 48 2c | )8(10(14)15)9(5)13-4-6/h1-4H,(H, |
3d4a0 | 31 34 2c 31 35 29 00 00 62 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 01 0f 04 77 61 | 14,15)..b...._id.V..5+r.5o....wa |
3d4c0 | 72 6e 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 | rnings.......fingerprints.F....M |
3d4e0 | 50 32 44 00 3b 02 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 | P2D.;....0.....1;1-1-1;2-1-1;2-1 |
3d500 | 2d 32 38 3b 00 02 31 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 | -28;..1.....1;1-2-1;1-1-28;2-1-2 |
3d520 | 3b 00 02 32 00 23 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 | ;..2.#...28;1-1-1;1-1-2;2-2-1;2- |
3d540 | 31 2d 39 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 2d 32 2d 32 | 1-9;2-1-28;..3.....2;1-1-9;1-2-2 |
3d560 | 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 32 3b 32 2d | 8;2-2-1;2-1-2;..4.....9;1-1-2;2- |
3d580 | 32 2d 32 38 3b 00 02 35 00 23 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 31 2d | 2-28;..5.#...28;1-1-1;1-2-2;2-1- |
3d5a0 | 32 3b 32 2d 32 2d 39 3b 32 2d 32 2d 32 38 3b 00 02 36 00 23 00 00 00 31 3b 31 2d 31 2d 32 3b 31 | 2;2-2-9;2-2-28;..6.#...1;1-1-2;1 |
3d5c0 | 2d 31 2d 32 38 3b 32 2d 32 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 37 00 29 00 00 | -1-28;2-2-2;2-1-9;2-1-28;..7.).. |
3d5e0 | 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- |
3d600 | 33 3b 32 2d 31 2d 32 38 3b 00 02 38 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 | 3;2-1-28;..8.....9;1-1-2;2-1-1;2 |
3d620 | 2d 31 2d 32 38 3b 00 02 39 00 29 00 00 00 32 38 3b 31 2d 32 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 | -1-28;..9.)...28;1-2-2;1-1-3;2-1 |
3d640 | 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 30 00 22 00 00 00 32 | -1;2-2-3;2-2-9;2-1-28;..10."...2 |
3d660 | 3b 31 2d 31 2d 39 3b 31 2d 32 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 33 3b | ;1-1-9;1-2-28;2-1-1;2-2-2;2-1-3; |
3d680 | 00 02 31 31 00 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 | ..11.....3;1-2-3;1-1-28;2-2-2;2- |
3d6a0 | 32 2d 33 3b 00 02 31 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 | 2-3;..12.....3;1-2-3;2-2-3;2-1-1 |
3d6c0 | 35 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 | 5;2-1-28;..13.....3;1-2-3;1-1-15 |
3d6e0 | 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 2d 33 3b 00 | ;2-2-3;..14.....15;1-1-3;2-2-3;. |
3d700 | 02 31 35 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 00 00 | .15.....3;1-2-3;2-2-3;2-2-15;... |
3d720 | 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 | .dataset_ids......0.V..4+r.5o... |
3d740 | 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 | .1.V..:+r.5o....2.V..;+r.5o....3 |
3d760 | 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 | .V..<+r.5o....4.V..=+r.5o....5.V |
3d780 | ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c | ..>+r.5o....6.V..?+r.5o....7.V.. |
3d7a0 | 40 2b 72 ed 35 6f 00 01 cd 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b | @+r.5o....8.V..A+r.5o....9.V..B+ |
3d7c0 | 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 | r.5o....10.V..C+r.5o.....feature |
3d7e0 | 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 | s./....56ba0c342b72ed356f000000. |
3d800 | 10 00 00 00 01 30 00 c7 11 22 03 5b d5 c1 3f 00 00 02 73 6d 69 6c 65 73 00 2b 00 00 00 43 43 28 | .....0...".[..?...smiles.+...CC( |
3d820 | 4e 43 28 3d 4f 29 4e 31 43 43 28 3d 4f 29 4e 28 43 31 3d 4f 29 63 31 63 63 28 43 6c 29 63 63 28 | NC(=O)N1CC(=O)N(C1=O)c1cc(Cl)cc( |
3d840 | 63 31 29 43 6c 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 06 ea bf c6 52 01 00 00 09 63 72 65 | c1)Cl)C..updated_at.....R....cre |
3d860 | 61 74 65 64 5f 61 74 00 df b2 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at.....R....default_fingerp |
3d880 | 72 69 6e 74 5f 73 69 7a 65 00 10 00 00 00 02 69 6e 63 68 69 00 70 00 00 00 49 6e 43 68 49 3d 31 | rint_size......inchi.p...InChI=1 |
3d8a0 | 53 2f 43 31 33 48 31 33 43 6c 32 4e 33 4f 33 2f 63 31 2d 37 28 32 29 31 36 2d 31 32 28 32 30 29 | S/C13H13Cl2N3O3/c1-7(2)16-12(20) |
3d8c0 | 31 37 2d 36 2d 31 31 28 31 39 29 31 38 28 31 33 28 31 37 29 32 31 29 31 30 2d 34 2d 38 28 31 34 | 17-6-11(19)18(13(17)21)10-4-8(14 |
3d8e0 | 29 33 2d 39 28 31 35 29 35 2d 31 30 2f 68 33 2d 35 2c 37 48 2c 36 48 32 2c 31 2d 32 48 33 2c 28 | )3-9(15)5-10/h3-5,7H,6H2,1-2H3,( |
3d900 | 48 2c 31 36 2c 32 30 29 00 00 44 04 00 00 07 5f 69 64 00 56 ba 0c 35 2b 72 ed 35 6f 00 01 10 04 | H,16,20)..D...._id.V..5+r.5o.... |
3d920 | 77 61 72 6e 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 02 00 00 | warnings.......fingerprints.$... |
3d940 | 04 4d 50 32 44 00 19 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;. |
3d960 | 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 3b | .1.....1;1-2-1;2-1-19;..2.....1; |
3d980 | 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 33 00 1c 00 00 | 1-1-1;1-1-19;2-2-1;2-1-3;..3.... |
3d9a0 | 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. |
3d9c0 | 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 32 2d 32 2d 33 3b 32 | #...3;1-2-3;1-1-19;2-2-1;2-2-3;2 |
3d9e0 | 2d 32 2d 31 39 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 | -2-19;..5.*...3;1-2-3;1-1-19;2-2 |
3da00 | 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 36 00 1c 00 00 00 33 | -3;2-1-9;2-1-19;2-1-32;..6.....3 |
3da20 | 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... |
3da40 | 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 |
3da60 | 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 |
3da80 | 3b 00 02 39 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 | ;..9.....9;1-1-19;2-1-3;2-1-32;. |
3daa0 | 02 31 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 | .10.....32;1-1-19;2-1-3;2-1-9;.. |
3dac0 | 31 31 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 32 | 11.....1;1-1-3;1-3-16;2-2-3;..12 |
3dae0 | 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. |
3db00 | 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 32 | #...1;1-1-1;1-1-19;2-1-1;2-1-3;2 |
3db20 | 2d 31 2d 31 35 3b 00 02 31 34 00 17 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d | -1-15;..14.....1;1-1-1;1-1-15;2- |
3db40 | 31 2d 31 39 3b 00 02 31 35 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 00 00 | 1-19;..15.....15;1-1-1;2-1-1;... |
3db60 | 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 | .dataset_ids......0.V..4+r.5o... |
3db80 | 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 | .1.V..:+r.5o....2.V..;+r.5o....3 |
3dba0 | 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 | .V..<+r.5o....4.V..<+r.5o....5.V |
3dbc0 | ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c | ..>+r.5o....6.V..?+r.5o....7.V.. |
3dbe0 | 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b | @+r.5o....8.V..A+r.5o....9.V..B+ |
3dc00 | 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 | r.5o....10.V..C+r.5o.....feature |
3dc20 | 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 | s./....56ba0c342b72ed356f000000. |
3dc40 | 10 00 00 00 01 30 00 a7 1b d5 46 6f 35 e2 3f 00 00 02 73 6d 69 6c 65 73 00 37 00 00 00 43 43 43 | .....0....Fo5.?...smiles.7...CCC |
3dc60 | 4e 28 63 31 63 28 63 63 28 63 63 31 5b 4e 2b 5d 28 3d 4f 29 5b 4f 2d 5d 29 43 28 46 29 28 46 29 | N(c1c(cc(cc1[N+](=O)[O-])C(F)(F) |
3dc80 | 46 29 5b 4e 2b 5d 28 3d 4f 29 5b 4f 2d 5d 29 43 43 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 | F)[N+](=O)[O-])CCCl..updated_at. |
3dca0 | 26 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e8 b2 bf c6 52 01 00 00 10 64 65 66 | &...R....created_at.....R....def |
3dcc0 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 10 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
3dce0 | 00 68 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 33 43 6c 46 33 4e 33 4f 34 2f 63 31 2d | .h...InChI=1S/C12H13ClF3N3O4/c1- |
3dd00 | 32 2d 34 2d 31 37 28 35 2d 33 2d 31 33 29 31 31 2d 39 28 31 38 28 32 30 29 32 31 29 36 2d 38 28 | 2-4-17(5-3-13)11-9(18(20)21)6-8( |
3dd20 | 31 32 28 31 34 2c 31 35 29 31 36 29 37 2d 31 30 28 31 31 29 31 39 28 32 32 29 32 33 2f 68 36 2d | 12(14,15)16)7-10(11)19(22)23/h6- |
3dd40 | 37 48 2c 32 2d 35 48 32 2c 31 48 33 00 00 8e 02 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f | 7H,2-5H2,1H3......._id.V..6+r.5o |
3dd60 | 00 01 11 04 77 61 72 6e 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. |
3dd80 | bc 00 00 00 04 4d 50 32 44 00 b1 00 00 00 02 30 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 | .....MP2D......0.....8;1-1-3;2-2 |
3dda0 | 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 33 2d 33 3b 00 | -3;..1.....3;1-2-3;1-1-8;2-3-3;. |
3ddc0 | 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 00 0f | .2.....3;1-2-3;2-2-3;2-1-8;..3.. |
3dde0 | 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 2d 33 | ...3;1-2-3;2-2-3;..4.....3;1-2-3 |
3de00 | 3b 32 2d 33 2d 33 3b 00 02 35 00 15 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 | ;2-3-3;..5.....3;1-3-3;2-4-3;2-1 |
3de20 | 2d 38 3b 00 02 36 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 00 00 04 64 61 74 | -8;..6.....3;1-3-3;2-4-3;....dat |
3de40 | 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 | aset_ids......0.V..4+r.5o....1.V |
3de60 | ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c | ..9+r.5o....2.V..;+r.5o....3.V.. |
3de80 | 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b | <+r.5o....4.V..=+r.5o....5.V..>+ |
3dea0 | 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed | r.5o....6.V..?+r.5o....7.V..@+r. |
3dec0 | 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f | 5o....8.V..A+r.5o....9.V..B+r.5o |
3dee0 | 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 | ....10.V..C+r.5o.....features./. |
3df00 | 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 | ...56ba0c342b72ed356f000000..... |
3df20 | 01 30 00 24 8c df 5c 32 80 17 40 00 00 02 73 6d 69 6c 65 73 00 12 00 00 00 4f 63 31 63 63 63 63 | .0.$..\2..@...smiles.....Oc1cccc |
3df40 | 63 31 63 31 63 63 63 63 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 72 e8 bf c6 52 01 00 00 09 | c1c1ccccc1..updated_at.r...R.... |
3df60 | 63 72 65 61 74 65 64 5f 61 74 00 f1 b2 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at.....R....default_fing |
3df80 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 07 00 00 00 02 69 6e 63 68 69 00 3f 00 00 00 49 6e 43 68 | erprint_size......inchi.?...InCh |
3dfa0 | 49 3d 31 53 2f 43 31 32 48 31 30 4f 2f 63 31 33 2d 31 32 2d 39 2d 35 2d 34 2d 38 2d 31 31 28 31 | I=1S/C12H10O/c13-12-9-5-4-8-11(1 |
3dfc0 | 32 29 31 30 2d 36 2d 32 2d 31 2d 33 2d 37 2d 31 30 2f 68 31 2d 39 2c 31 33 48 00 00 9f 03 00 00 | 2)10-6-2-1-3-7-10/h1-9,13H...... |
3dfe0 | 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 12 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V..6+r.5o....warnings...... |
3e000 | 03 66 69 6e 67 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 | .fingerprints......MP2D......0.. |
3e020 | 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 31 2d | ...9;1-1-2;2-2-28;..1.....2;1-1- |
3e040 | 39 3b 31 2d 32 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 00 1d 00 00 00 32 38 3b | 9;1-2-28;2-2-1;2-1-3;..2.....28; |
3e060 | 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 33 00 16 00 00 | 1-2-1;1-1-2;2-1-9;2-1-28;..3.... |
3e080 | 00 31 3b 31 2d 31 2d 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 | .1;1-1-28;2-1-1;2-1-2;..4.#...28 |
3e0a0 | 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 3b | ;1-1-2;1-1-3;2-2-3;2-1-9;2-1-28; |
3e0c0 | 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 2d 32 | ..5.....3;1-2-3;1-1-28;2-1-2;2-2 |
3e0e0 | 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 38 3b | -3;..6.....3;1-2-3;2-2-3;2-1-28; |
3e100 | 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; |
3e120 | 31 2d 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 31 2d | 1-2-3;2-1-1;2-2-3;..9.....3;1-1- |
3e140 | 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 31 30 00 1c 00 00 00 33 3b | 1;1-2-3;2-2-3;2-3-16;..10.....3; |
3e160 | 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 31 00 16 00 | 1-2-3;2-1-1;2-2-3;2-1-28;..11... |
3e180 | 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 32 00 17 00 00 00 | ..1;1-1-3;1-3-16;2-2-3;..12..... |
3e1a0 | 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 04 64 61 74 61 73 65 | 16;1-1-1;2-1-3;2-2-16;....datase |
3e1c0 | 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a | t_ids......0.V..4+r.5o....1.V..: |
3e1e0 | 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 | +r.5o....2.V..;+r.5o....3.V..<+r |
3e200 | ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 | .5o....4.V..=+r.5o....5.V..>+r.5 |
3e220 | 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 | o....6.V..?+r.5o....7.V..@+r.5o. |
3e240 | 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 | ...8.V..A+r.5o....9.V..B+r.5o... |
3e260 | 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 | .10.V..C+r.5o.....features./.... |
3e280 | 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 | 56ba0c342b72ed356f000000......0. |
3e2a0 | c7 c3 be 83 8c 89 b0 3f 00 00 02 73 6d 69 6c 65 73 00 1e 00 00 00 4f 3d 43 28 4e 28 43 29 43 29 | .......?...smiles.....O=C(N(C)C) |
3e2c0 | 4e 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 | Nc1cccc(c1)C(F)(F)F..updated_at. |
3e2e0 | 63 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f9 b2 bf c6 52 01 00 00 10 64 65 66 | c...R....created_at.....R....def |
3e300 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0d 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
3e320 | 00 55 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 31 46 33 4e 32 4f 2f 63 31 2d 31 35 28 | .U...InChI=1S/C10H11F3N2O/c1-15( |
3e340 | 32 29 39 28 31 36 29 31 34 2d 38 2d 35 2d 33 2d 34 2d 37 28 36 2d 38 29 31 30 28 31 31 2c 31 32 | 2)9(16)14-8-5-3-4-7(6-8)10(11,12 |
3e360 | 29 31 33 2f 68 33 2d 36 48 2c 31 2d 32 48 33 2c 28 48 2c 31 34 2c 31 36 29 00 00 0b 03 00 00 07 | )13/h3-6H,1-2H3,(H,14,16)....... |
3e380 | 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 13 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..6+r.5o....warnings....... |
3e3a0 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 3f 01 00 00 04 4d 50 32 44 00 34 01 00 00 02 30 00 17 00 | fingerprints.?....MP2D.4....0... |
3e3c0 | 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 02 31 00 1d 00 00 00 | ..15;1-1-3;2-1-3;2-1-11;..1..... |
3e3e0 | 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 00 02 32 00 | 3;1-1-3;1-1-11;1-1-15;2-2-3;..2. |
3e400 | 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 35 3b | ....3;1-2-3;2-1-3;2-1-11;2-1-15; |
3e420 | 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 1c 00 00 00 33 3b | ..3.....3;1-2-3;2-2-3;..4.....3; |
3e440 | 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 35 00 23 00 00 | 1-2-3;2-1-1;2-1-3;2-1-11;..5.#.. |
3e460 | 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 32 2d 33 2d | .3;1-1-1;1-1-3;1-1-11;2-2-3;2-3- |
3e480 | 31 35 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 32 2d 33 3b | 15;..6.....11;1-2-3;2-1-1;2-2-3; |
3e4a0 | 32 2d 31 2d 31 35 3b 00 02 37 00 1d 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 35 3b 32 2d | 2-1-15;..7.....1;1-1-3;1-3-15;2- |
3e4c0 | 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d | 1-3;2-1-11;..8.....15;1-1-1;2-1- |
3e4e0 | 33 3b 32 2d 32 2d 31 35 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 | 3;2-2-15;....dataset_ids......0. |
3e500 | 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba | V..4+r.5o....1.V..:+r.5o....2.V. |
3e520 | 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d | .;+r.5o....3.V..<+r.5o....4.V..= |
3e540 | 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 | +r.5o....5.V..=+r.5o....6.V..?+r |
3e560 | ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 | .5o....7.V..@+r.5o....8.V..A+r.5 |
3e580 | 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f | o....9.V..B+r.5o....10.V..C+r.5o |
3e5a0 | 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 | .....features./....56ba0c342b72e |
3e5c0 | 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 73 98 da b0 1f bd 71 3f 00 00 02 73 6d | d356f000000......0.s.....q?...sm |
3e5e0 | 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 |
3e600 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 7e e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.~...R....created_at |
3e620 | 00 02 b3 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | .....R....default_fingerprint_si |
3e640 | 7a 65 00 09 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 |
3e660 | 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 |
3e680 | 31 2d 33 48 00 00 e7 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 14 04 77 61 72 6e | 1-3H......._id.V..6+r.5o....warn |
3e6a0 | 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 50 32 | ings.......fingerprints......MP2 |
3e6c0 | 44 00 95 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 10 | D......0.....1;1-1-1;2-1-1;..1.. |
3e6e0 | 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- |
3e700 | 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; |
3e720 | 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;. |
3e740 | 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 |
3e760 | 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; |
3e780 | 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- |
3e7a0 | 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..... |
3e7c0 | 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; |
3e7e0 | 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 |
3e800 | 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.#... |
3e820 | 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 |
3e840 | 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; |
3e860 | 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 |
3e880 | 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 |
3e8a0 | 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- |
3e8c0 | 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 |
3e8e0 | 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 |
3e900 | 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... |
3e920 | 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..... |
3e940 | 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 | 3;1-2-3;1-1-15;2-2-3;....dataset |
3e960 | 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b | _ids......0.V..4+r.5o....1.V..:+ |
3e980 | 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed | r.5o....2.V..;+r.5o....3.V..<+r. |
3e9a0 | 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f | 5o....4.V..=+r.5o....5.V..>+r.5o |
3e9c0 | 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 | ....6.V..?+r.5o....7.V..?+r.5o.. |
3e9e0 | cc 07 38 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 39 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 | ..8.V..@+r.5o....9.V..A+r.5o.... |
3ea00 | 31 30 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 | 10.V..B+r.5o....11.V..B+r.5o.... |
3ea20 | 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 | 12.V..C+r.5o.....features.:....5 |
3ea40 | 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 46 | 6ba0c342b72ed356f000000......0.F |
3ea60 | 7c 4c cb b2 63 94 3f 01 31 00 f8 d1 34 33 ca ba 8b 3f 00 00 02 73 6d 69 6c 65 73 00 28 00 00 00 | |L..c.?.1...43...?...smiles.(... |
3ea80 | 43 43 43 4e 28 43 28 3d 4f 29 6e 31 63 6e 63 63 31 29 43 43 4f 63 31 63 28 43 6c 29 63 63 28 63 | CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(c |
3eaa0 | 63 31 43 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 48 ea bf c6 52 01 00 00 09 63 72 65 | c1Cl)Cl..updated_at.H...R....cre |
3eac0 | 61 74 65 64 5f 61 74 00 0a b3 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at.....R....default_fingerp |
3eae0 | 72 69 6e 74 5f 73 69 7a 65 00 13 00 00 00 02 69 6e 63 68 69 00 73 00 00 00 49 6e 43 68 49 3d 31 | rint_size......inchi.s...InChI=1 |
3eb00 | 53 2f 43 31 35 48 31 36 43 6c 33 4e 33 4f 32 2f 63 31 2d 32 2d 34 2d 32 30 28 31 35 28 32 32 29 | S/C15H16Cl3N3O2/c1-2-4-20(15(22) |
3eb20 | 32 31 2d 35 2d 33 2d 31 39 2d 31 30 2d 32 31 29 36 2d 37 2d 32 33 2d 31 34 2d 31 32 28 31 37 29 | 21-5-3-19-10-21)6-7-23-14-12(17) |
3eb40 | 38 2d 31 31 28 31 36 29 39 2d 31 33 28 31 34 29 31 38 2f 68 33 2c 35 2c 38 2d 31 30 48 2c 32 2c | 8-11(16)9-13(14)18/h3,5,8-10H,2, |
3eb60 | 34 2c 36 2d 37 48 32 2c 31 48 33 00 00 57 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 | 4,6-7H2,1H3..W...._id.V..6+r.5o. |
3eb80 | 01 15 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 48 | ...warnings.......fingerprints.H |
3eba0 | 02 00 00 04 4d 50 32 44 00 3d 02 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d | ....MP2D.=....0.....1;1-1-2;2-1- |
3ebc0 | 39 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 | 9;2-1-28;..1.....2;1-1-1;1-1-9;1 |
3ebe0 | 2d 31 2d 32 38 3b 32 2d 31 2d 33 3b 00 02 32 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d | -1-28;2-1-3;..2.....9;1-1-2;2-1- |
3ec00 | 31 3b 32 2d 31 2d 32 38 3b 00 02 33 00 22 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b | 1;2-1-28;..3."...28;1-1-2;1-1-3; |
3ec20 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 34 00 22 00 00 00 33 3b 31 2d 32 2d | 2-1-1;2-2-3;2-1-9;..4."...3;1-2- |
3ec40 | 33 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 00 02 35 00 1d | 3;1-1-28;2-1-1;2-1-2;2-2-3;..5.. |
3ec60 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 32 2d 31 2d 32 38 3b 00 | ...3;1-2-3;2-2-3;2-1-19;2-1-28;. |
3ec80 | 02 36 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 | .6.#...3;1-2-3;1-1-19;2-1-1;2-2- |
3eca0 | 33 3b 32 2d 31 2d 33 30 3b 00 02 37 00 23 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 33 30 | 3;2-1-30;..7.#...19;1-1-3;1-1-30 |
3ecc0 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 38 00 24 00 00 00 33 30 3b 31 2d | ;2-1-1;2-2-3;2-2-9;..8.$...30;1- |
3ece0 | 31 2d 31 3b 31 2d 32 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 | 1-1;1-2-9;1-1-19;2-1-3;2-3-16;.. |
3ed00 | 39 00 1d 00 00 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 | 9.....9;1-1-30;2-1-1;2-1-9;2-1-1 |
3ed20 | 39 3b 00 02 31 30 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 | 9;..10.....1;1-3-16;1-1-30;2-2-9 |
3ed40 | 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 18 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 36 | ;2-1-19;..11.....16;1-1-1;2-2-16 |
3ed60 | 3b 32 2d 31 2d 33 30 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 | ;2-1-30;..12.....3;1-1-1;1-2-3;2 |
3ed80 | 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 32 | -2-3;2-1-19;..13.....3;1-2-3;2-2 |
3eda0 | 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 2d 32 2d 33 3b | -1;2-2-3;..14.....3;1-1-1;1-2-3; |
3edc0 | 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 35 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d | 2-2-3;2-1-28;..15.....1;1-1-3;2- |
3ede0 | 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b | 2-3;....dataset_ids......0.V..4+ |
3ee00 | 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed | r.5o....1.V..:+r.5o....2.V..;+r. |
3ee20 | 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f | 5o....3.V..<+r.5o....4.V..=+r.5o |
3ee40 | 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 | ....5.V..=+r.5o....6.V..?+r.5o.. |
3ee60 | cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 | ..7.V..@+r.5o....8.V..A+r.5o.... |
3ee80 | 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 | 9.V..B+r.5o....10.V..C+r.5o..... |
3eea0 | 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 | features./....56ba0c342b72ed356f |
3eec0 | 30 30 30 30 30 30 00 10 00 00 00 01 30 00 f6 69 8c 41 50 c5 b6 3f 00 00 02 73 6d 69 6c 65 73 00 | 000000......0..i.AP..?...smiles. |
3eee0 | 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 46 | (...CC(=O)Nc1cc(NS(=O)(=O)C(F)(F |
3ef00 | 29 46 29 63 28 63 63 31 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 83 e9 bf c6 52 01 00 00 | )F)c(cc1C)C..updated_at.....R... |
3ef20 | 09 63 72 65 61 74 65 64 5f 61 74 00 11 b3 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.....R....default_fin |
3ef40 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 10 00 00 00 02 69 6e 63 68 69 00 66 00 00 00 49 6e 43 | gerprint_size......inchi.f...InC |
3ef60 | 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 31 | hI=1S/C11H13F3N2O3S/c1-6-4-7(2)1 |
3ef80 | 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 31 | 0(5-9(6)15-8(3)17)16-20(18,19)11 |
3efa0 | 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 31 | (12,13)14/h4-5,16H,1-3H3,(H,15,1 |
3efc0 | 37 29 00 00 f4 01 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 16 04 77 61 72 6e 69 6e | 7)......._id.V..6+r.5o....warnin |
3efe0 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 4c 00 00 00 04 4d 50 32 44 00 | gs.......fingerprints.L....MP2D. |
3f000 | 41 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 37 | A....0.....17;1-1-2;2-1-2;2-1-17 |
3f020 | 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 00 | ;..1.....2;1-1-2;1-2-17;2-2-17;. |
3f040 | 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 | ...dataset_ids......0.V..4+r.5o. |
3f060 | 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 | ...1.V..:+r.5o....2.V..:+r.5o... |
3f080 | 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 | .3.V..<+r.5o....4.V..=+r.5o....5 |
3f0a0 | 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 | .V..>+r.5o....6.V..?+r.5o....7.V |
3f0c0 | ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c | ..@+r.5o....8.V..A+r.5o....9.V.. |
3f0e0 | 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 | B+r.5o....10.V..C+r.5o.....featu |
3f100 | 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 | res./....56ba0c342b72ed356f00000 |
3f120 | 30 00 10 00 00 00 01 30 00 e0 87 d5 e2 93 13 b8 3f 00 00 02 73 6d 69 6c 65 73 00 0c 00 00 00 49 | 0......0........?...smiles.....I |
3f140 | 43 28 3d 43 28 49 29 49 29 49 00 09 75 70 64 61 74 65 64 5f 61 74 00 c4 e8 bf c6 52 01 00 00 09 | C(=C(I)I)I..updated_at.....R.... |
3f160 | 63 72 65 61 74 65 64 5f 61 74 00 17 b3 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at.....R....default_fing |
3f180 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 02 00 00 00 02 69 6e 63 68 69 00 1b 00 00 00 49 6e 43 68 | erprint_size......inchi.....InCh |
3f1a0 | 49 3d 31 53 2f 43 32 49 34 2f 63 33 2d 31 28 34 29 32 28 35 29 36 00 00 ee 04 00 00 07 5f 69 64 | I=1S/C2I4/c3-1(4)2(5)6......._id |
3f1c0 | 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 17 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..6+r.5o....warnings.......fin |
3f1e0 | 67 65 72 70 72 69 6e 74 73 00 ca 02 00 00 04 4d 50 32 44 00 bf 02 00 00 02 30 00 0f 00 00 00 37 | gerprints......MP2D......0.....7 |
3f200 | 3b 31 2d 31 2d 34 3b 32 2d 31 2d 33 3b 00 02 31 00 1c 00 00 00 34 3b 31 2d 31 2d 33 3b 31 2d 31 | ;1-1-4;2-1-3;..1.....4;1-1-3;1-1 |
3f220 | 2d 37 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 00 30 00 00 00 33 3b 31 2d 31 2d 33 3b | -7;2-1-3;2-1-11;..2.0...3;1-1-3; |
3f240 | 31 2d 31 2d 34 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 37 3b 32 2d 31 2d 31 31 3b | 1-1-4;1-1-11;2-1-3;2-1-7;2-1-11; |
3f260 | 32 2d 31 2d 32 39 3b 00 02 33 00 1d 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 | 2-1-29;..3.....11;1-1-3;1-1-11;2 |
3f280 | 2d 33 2d 33 3b 32 2d 31 2d 34 3b 00 02 34 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d | -3-3;2-1-4;..4.....11;1-2-3;1-1- |
3f2a0 | 31 31 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 35 00 2b 00 00 00 33 3b 31 2d 31 2d 33 3b | 11;2-4-3;2-1-19;..5.+...3;1-1-3; |
3f2c0 | 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 32 | 1-1-11;1-1-19;2-2-3;2-1-11;2-1-2 |
3f2e0 | 39 3b 00 02 36 00 30 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 | 9;..6.0...3;1-2-3;1-1-29;2-1-1;2 |
3f300 | 2d 31 2d 34 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 37 00 23 00 00 | -1-4;2-1-9;2-2-11;2-1-19;..7.#.. |
3f320 | 00 32 39 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 2d 33 2d | .29;1-1-1;1-1-3;1-1-9;2-2-3;2-3- |
3f340 | 31 36 3b 00 02 38 00 16 00 00 00 39 3b 31 2d 31 2d 32 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b | 16;..8.....9;1-1-29;2-1-1;2-1-3; |
3f360 | 00 02 39 00 1d 00 00 00 31 3b 31 2d 33 2d 31 36 3b 31 2d 31 2d 32 39 3b 32 2d 31 2d 33 3b 32 2d | ..9.....1;1-3-16;1-1-29;2-1-3;2- |
3f380 | 31 2d 39 3b 00 02 31 30 00 18 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 36 3b 32 2d 31 | 1-9;..10.....16;1-1-1;2-2-16;2-1 |
3f3a0 | 2d 32 39 3b 00 02 31 31 00 17 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d | -29;..11.....19;1-1-3;2-1-3;2-1- |
3f3c0 | 31 31 3b 00 02 31 32 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 | 11;..12.$...3;1-2-3;1-1-11;2-3-3 |
3f3e0 | 3b 32 2d 31 2d 31 31 3b 32 2d 32 2d 31 35 3b 00 02 31 33 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b | ;2-1-11;2-2-15;..13.....3;1-2-3; |
3f400 | 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 34 00 10 00 00 00 31 35 3b | 1-1-15;2-2-3;2-1-11;..14.....15; |
3f420 | 31 2d 31 2d 33 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 31 | 1-1-3;2-2-3;..15.....3;1-2-3;2-1 |
3f440 | 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 36 00 1c 00 00 00 33 3b 31 2d 31 2d 31 | -1;2-2-3;2-1-15;..16.....3;1-1-1 |
3f460 | 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 16 00 00 00 31 3b 31 | ;1-2-3;2-2-3;2-3-16;..17.....1;1 |
3f480 | 2d 31 2d 33 3b 31 2d 33 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 31 38 00 17 00 00 00 31 36 3b 31 2d | -1-3;1-3-16;2-2-3;..18.....16;1- |
3f4a0 | 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 | 1-1;2-1-3;2-2-16;....dataset_ids |
3f4c0 | 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f | ......0.V..4+r.5o....1.V..:+r.5o |
3f4e0 | 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 | ....2.V..;+r.5o....3.V..<+r.5o.. |
3f500 | c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 | ..4.V..=+r.5o....5.V..>+r.5o.... |
3f520 | 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 | 6.V..?+r.5o....7.V..@+r.5o....8. |
3f540 | 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 | V..A+r.5o....9.V..B+r.5o....10.V |
3f560 | ba 0c 43 2b 72 ed 35 6f 00 01 d3 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 | ..C+r.5o.....features./....56ba0 |
3f580 | 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 47 bb 62 5a 75 | c342b72ed356f000000......0.G.bZu |
3f5a0 | fd 21 3f 00 00 02 73 6d 69 6c 65 73 00 35 00 00 00 4e 23 43 63 31 6e 6e 28 63 28 63 31 53 28 3d | .!?...smiles.5...N#Cc1nn(c(c1S(= |
3f5c0 | 4f 29 43 28 46 29 28 46 29 46 29 4e 29 63 31 63 28 43 6c 29 63 63 28 63 63 31 43 6c 29 43 28 46 | O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F |
3f5e0 | 29 28 46 29 46 00 09 75 70 64 61 74 65 64 5f 61 74 00 78 e6 bf c6 52 01 00 00 09 63 72 65 61 74 | )(F)F..updated_at.x...R....creat |
3f600 | 65 64 5f 61 74 00 1e b3 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at.....R....default_fingerpri |
3f620 | 6e 74 5f 73 69 7a 65 00 13 00 00 00 02 69 6e 63 68 69 00 6e 00 00 00 49 6e 43 68 49 3d 31 53 2f | nt_size......inchi.n...InChI=1S/ |
3f640 | 43 31 32 48 34 43 6c 32 46 36 4e 34 4f 53 2f 63 31 33 2d 35 2d 31 2d 34 28 31 31 28 31 35 2c 31 | C12H4Cl2F6N4OS/c13-5-1-4(11(15,1 |
3f660 | 36 29 31 37 29 32 2d 36 28 31 34 29 38 28 35 29 32 34 2d 31 30 28 32 32 29 39 28 37 28 33 2d 32 | 6)17)2-6(14)8(5)24-10(22)9(7(3-2 |
3f680 | 31 29 32 33 2d 32 34 29 32 36 28 32 35 29 31 32 28 31 38 2c 31 39 29 32 30 2f 68 31 2d 32 48 2c | 1)23-24)26(25)12(18,19)20/h1-2H, |
3f6a0 | 32 32 48 32 00 00 59 03 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 18 04 77 61 72 6e | 22H2..Y...._id.V..6+r.5o....warn |
3f6c0 | 69 6e 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 | ings.......fingerprints.r....MP2 |
3f6e0 | 44 00 67 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 | D.g....0.....1;1-1-3;2-2-3;..1.. |
3f700 | 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 00 33 | ...3;1-1-1;1-2-3;2-2-3;..2.....3 |
3f720 | 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 33 3b 31 2d 32 | ;1-2-3;2-1-1;2-2-3;..3.....3;1-2 |
3f740 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 34 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-2-3;2-1-11;..4.....3;1-2-3; |
3f760 | 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d | 1-1-11;2-3-3;2-1-11;..5.....3;1- |
3f780 | 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 36 00 17 00 00 00 31 | 2-3;2-1-1;2-2-3;2-1-11;..6.....1 |
3f7a0 | 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 38 3b 00 02 37 00 2b 00 00 00 33 3b 31 | 1;1-2-3;2-3-3;2-1-18;..7.+...3;1 |
3f7c0 | 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 31 2d 31 31 3b | -1-3;1-1-11;1-1-18;2-2-3;2-1-11; |
3f7e0 | 32 2d 31 2d 31 38 3b 00 02 38 00 24 00 00 00 31 38 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 2d | 2-1-18;..8.$...18;1-2-3;2-1-3;2- |
3f800 | 31 2d 39 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 31 2d | 1-9;2-1-11;2-1-18;..9.....3;1-1- |
3f820 | 39 3b 31 2d 32 2d 31 38 3b 32 2d 32 2d 33 3b 00 02 31 30 00 10 00 00 00 39 3b 31 2d 31 2d 33 3b | 9;1-2-18;2-2-3;..10.....9;1-1-3; |
3f840 | 32 2d 32 2d 31 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba | 2-2-18;....dataset_ids......0.V. |
3f860 | 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b | .4+r.5o....1.V..:+r.5o....2.V..; |
3f880 | 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3d 2b 72 | +r.5o....3.V..;+r.5o....4.V..=+r |
3f8a0 | ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 | .5o....5.V..>+r.5o....6.V..?+r.5 |
3f8c0 | 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 | o....7.V..@+r.5o....8.V..A+r.5o. |
3f8e0 | 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 | ...9.V..B+r.5o....10.V..C+r.5o.. |
3f900 | d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 | ...features./....56ba0c342b72ed3 |
3f920 | 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 91 c1 62 44 b1 63 a0 3f 00 00 02 73 6d 69 6c | 56f000000......0...bD.c.?...smil |
3f940 | 65 73 00 1d 00 00 00 43 63 31 63 63 63 32 63 28 63 31 29 6e 63 31 63 28 6e 32 29 73 63 28 3d 4f | es.....Cc1ccc2c(c1)nc1c(n2)sc(=O |
3f960 | 29 73 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 dc e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 | )s1..updated_at.....R....created |
3f980 | 5f 61 74 00 2b b3 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at.+...R....default_fingerprint |
3f9a0 | 5f 73 69 7a 65 00 0b 00 00 00 02 69 6e 63 68 69 00 49 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 | _size......inchi.I...InChI=1S/C1 |
3f9c0 | 30 48 36 4e 32 4f 53 32 2f 63 31 2d 35 2d 32 2d 33 2d 36 2d 37 28 34 2d 35 29 31 32 2d 39 2d 38 | 0H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8 |
3f9e0 | 28 31 31 2d 36 29 31 34 2d 31 30 28 31 33 29 31 35 2d 39 2f 68 32 2d 34 48 2c 31 48 33 00 00 48 | (11-6)14-10(13)15-9/h2-4H,1H3..H |
3fa00 | 03 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 19 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..6+r.5o....warnings... |
3fa20 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 63 01 00 00 04 4d 50 32 44 00 58 01 00 00 02 | ....fingerprints.c....MP2D.X.... |
3fa40 | 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 1d 00 00 00 31 3b 31 | 0.....15;1-1-1;2-1-2;..1.....1;1 |
3fa60 | 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 32 00 29 00 00 | -1-2;1-1-15;2-1-9;2-1-28;..2.).. |
3fa80 | 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 2d 31 2d | .2;1-1-1;1-1-9;1-1-28;2-1-1;2-1- |
3faa0 | 33 3b 32 2d 31 2d 31 35 3b 00 02 33 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 | 3;2-1-15;..3.....9;1-1-2;2-1-1;2 |
3fac0 | 2d 31 2d 32 38 3b 00 02 34 00 28 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 | -1-28;..4.(...28;1-1-1;1-1-2;1-1 |
3fae0 | 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 00 33 3b 31 | -3;2-3-1;2-2-3;2-1-9;..5."...3;1 |
3fb00 | 2d 32 2d 33 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 00 02 | -2-3;1-1-28;2-1-1;2-1-2;2-2-3;.. |
3fb20 | 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.. |
3fb40 | 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 38 00 1c 00 00 00 31 3b 31 2d 32 2d 31 | ...3;1-2-3;2-2-3;..8.....1;1-2-1 |
3fb60 | 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 39 00 16 00 00 00 31 3b 31 2d | ;1-1-28;2-1-2;2-1-3;..9.....1;1- |
3fb80 | 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 | 1-1;2-1-1;2-1-28;....dataset_ids |
3fba0 | 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f | ......0.V..4+r.5o....1.V..:+r.5o |
3fbc0 | 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 | ....2.V..;+r.5o....3.V..<+r.5o.. |
3fbe0 | c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 | ..4.V..=+r.5o....5.V..>+r.5o.... |
3fc00 | 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 | 6.V..?+r.5o....7.V..@+r.5o....8. |
3fc20 | 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 | V..A+r.5o....9.V..B+r.5o....10.V |
3fc40 | ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 | ..C+r.5o.....features./....56ba0 |
3fc60 | 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 03 50 74 b1 84 | c342b72ed356f000000......0..Pt.. |
3fc80 | d0 bb 3f 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 63 | ..?...smiles.....ClCC(=O)N(c1ccc |
3fca0 | 63 63 31 29 43 28 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 1a ea bf c6 52 01 00 00 09 63 | cc1)C(C)C..updated_at.....R....c |
3fcc0 | 72 65 61 74 65 64 5f 61 74 00 31 b3 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.1...R....default_finge |
3fce0 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 0a 00 00 00 02 69 6e 63 68 69 00 4b 00 00 00 49 6e 43 68 49 | rprint_size......inchi.K...InChI |
3fd00 | 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 38 | =1S/C11H14ClNO/c1-9(2)13(11(14)8 |
3fd20 | 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 2c | -12)10-6-4-3-5-7-10/h3-7,9H,8H2, |
3fd40 | 31 2d 32 48 33 00 00 a4 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 1a 04 77 61 72 | 1-2H3......._id.V..6+r.5o....war |
3fd60 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 94 02 00 00 04 4d 50 | nings.......fingerprints......MP |
3fd80 | 32 44 00 89 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. |
3fda0 | 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 02 | ....1;1-3-1;2-1-1;2-1-2;2-1-6;.. |
3fdc0 | 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 3b | 2.....1;1-2-1;1-1-2;1-1-6;2-2-1; |
3fde0 | 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 31 | 2-1-2;2-1-9;2-1-28;..3.....1;1-1 |
3fe00 | 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 31 | -1;2-1-1;2-1-2;2-1-6;..4.(...6;1 |
3fe20 | 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 31 | -1-1;1-1-2;2-2-1;2-1-2;2-1-3;2-1 |
3fe40 | 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 38 | -28;..5./...2;1-1-3;1-1-6;1-1-28 |
3fe60 | 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 00 | ;2-1-1;2-1-2;2-1-3;2-1-11;..6.". |
3fe80 | 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 31 | ..28;1-2-2;2-1-1;2-1-3;2-1-6;2-1 |
3fea0 | 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 3b | -9;..7.(...2;1-1-1;1-1-9;1-1-28; |
3fec0 | 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 2d | 2-2-1;2-1-2;2-1-6;..8.....9;1-1- |
3fee0 | 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 31 | 2;2-1-1;2-1-28;..9./...3;1-1-2;1 |
3ff00 | 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 2d | -1-3;1-1-11;2-1-2;2-2-3;2-1-6;2- |
3ff20 | 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 32 | 1-28;..10.....11;1-2-3;2-1-2;2-2 |
3ff40 | 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 33 | -3;..11.....3;1-1-3;1-1-11;2-2-3 |
3ff60 | 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 00 | ;..12.....3;1-2-3;2-1-3;2-1-11;. |
3ff80 | 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 34 | .13.....3;1-2-3;2-1-2;2-2-3;..14 |
3ffa0 | 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 32 | .)...3;1-1-2;1-2-3;2-1-2;2-1-3;2 |
3ffc0 | 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 2d | -1-11;2-2-32;..15.....2;1-1-3;1- |
3ffe0 | 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 31 | 2-32;2-2-3;..16.....32;1-1-2;2-1 |
40000 | 2d 33 3b 32 2d 31 2d 33 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 | -3;2-1-32;....dataset_ids......0 |
40020 | 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 | .V..4+r.5o....1.V..9+r.5o....2.V |
40040 | ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c | ..;+r.5o....3.V..<+r.5o....4.V.. |
40060 | 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b | =+r.5o....5.V..>+r.5o....6.V..?+ |
40080 | 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed | r.5o....7.V..@+r.5o....8.V..A+r. |
400a0 | 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 | 5o....9.V..B+r.5o....10.V..C+r.5 |
400c0 | 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 | o.....features./....56ba0c342b72 |
400e0 | 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 e7 f5 88 79 70 9e fe 3f 00 00 02 73 | ed356f000000......0....yp..?...s |
40100 | 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 4f 29 63 31 6e 63 | miles.#...CC(C1(C)N=C(NC1=O)c1nc |
40120 | 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 6b e8 bf c6 52 01 00 | ccc1C(=O)O)C..updated_at.k...R.. |
40140 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 37 b3 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at.7...R....default_fi |
40160 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 11 00 00 00 02 69 6e 63 68 69 00 6c 00 00 00 49 6e | ngerprint_size......inchi.l...In |
40180 | 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 33 28 33 29 31 32 | ChI=1S/C13H15N3O3/c1-7(2)13(3)12 |
401a0 | 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 31 38 29 35 2d 34 | (19)15-10(16-13)9-8(11(17)18)5-4 |
401c0 | 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 31 38 29 28 48 2c | -6-14-9/h4-7H,1-3H3,(H,17,18)(H, |
401e0 | 31 35 2c 31 36 2c 31 39 29 00 00 5c 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 1b | 15,16,19)..\...._id.V..6+r.5o... |
40200 | 04 77 61 72 6e 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.... |
40220 | 00 04 4d 50 32 44 00 01 02 00 00 02 30 00 0f 00 00 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 2d 31 3b | ..MP2D......0.....7;1-1-4;2-1-1; |
40240 | 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 33 3b 32 2d 31 2d | ..1.....4;1-1-1;1-1-7;2-1-3;2-1- |
40260 | 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 31 2d 38 3b 32 2d | 8;..2.'...1;1-1-3;1-1-4;1-1-8;2- |
40280 | 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 31 2d 31 2d 31 3b | 1-2;2-2-3;2-1-7;..3.!...3;1-1-1; |
402a0 | 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 34 00 15 00 00 00 | 1-2-3;2-2-3;2-1-4;2-1-8;..4..... |
402c0 | 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- |
402e0 | 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 32 2d 33 3b | 2-3;2-2-3;..6.....3;1-2-3;2-2-3; |
40300 | 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 33 2d | 2-1-8;..7.....3;1-2-3;1-1-8;2-3- |
40320 | 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 32 2d | 3;..8.....3;1-2-3;2-1-1;2-2-3;2- |
40340 | 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 00 02 31 30 00 27 | 1-8;..9.....8;1-2-3;2-4-3;..10.' |
40360 | 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 2d 31 | ...8;1-1-1;1-1-2;2-1-1;2-1-3;2-1 |
40380 | 2d 34 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 2d 38 3b | -4;2-1-9;..11.....2;1-1-1;1-1-8; |
403a0 | 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b 00 02 31 32 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 | 1-1-9;2-3-1;..12.....9;1-1-2;2-1 |
403c0 | 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 33 00 21 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b | -1;2-1-8;..13.!...1;1-2-1;1-1-2; |
403e0 | 32 2d 36 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 34 00 15 00 00 00 31 3b 31 2d 34 | 2-6-1;2-1-8;2-1-9;..14.....1;1-4 |
40400 | 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 35 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b | -1;2-4-1;2-1-2;..15.....1;1-1-1; |
40420 | 32 2d 33 2d 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c | 2-3-1;....dataset_ids......0.V.. |
40440 | 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3a 2b | 4+r.5o....1.V..9+r.5o....2.V..:+ |
40460 | 72 ed 35 6f 00 01 c2 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 34 00 56 ba 0c 3c 2b 72 ed | r.5o....3.V..;+r.5o....4.V..<+r. |
40480 | 35 6f 00 01 c6 07 35 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 36 00 56 ba 0c 3d 2b 72 ed 35 6f | 5o....5.V..<+r.5o....6.V..=+r.5o |
404a0 | 00 01 c8 07 37 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 38 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 | ....7.V..>+r.5o....8.V..?+r.5o.. |
404c0 | cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 | ..9.V..@+r.5o....10.V..A+r.5o... |
404e0 | 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 | .11.V..B+r.5o....12.V..C+r.5o... |
40500 | 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 | ..features.:....56ba0c342b72ed35 |
40520 | 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 83 d0 48 43 e3 7f ac 3f 01 31 00 a0 bc 19 b6 df | 6f000000......0...HC...?.1...... |
40540 | 50 b2 3f 00 00 02 73 6d 69 6c 65 73 00 2f 00 00 00 4e 23 43 43 28 63 31 63 63 63 63 28 63 31 29 | P.?...smiles./...N#CC(c1cccc(c1) |
40560 | 4f 63 31 63 63 63 63 63 31 29 4f 43 28 3d 4f 29 43 31 43 28 43 31 28 43 29 43 29 28 43 29 43 00 | Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C. |
40580 | 09 75 70 64 61 74 65 64 5f 61 74 00 4a e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at.J...R....created_at. |
405a0 | 3e b3 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | >...R....default_fingerprint_siz |
405c0 | 65 00 10 00 00 00 02 69 6e 63 68 69 00 75 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 32 48 32 33 | e......inchi.u...InChI=1S/C22H23 |
405e0 | 4e 4f 33 2f 63 31 2d 32 31 28 32 29 31 39 28 32 32 28 32 31 2c 33 29 34 29 32 30 28 32 34 29 32 | NO3/c1-21(2)19(22(21,3)4)20(24)2 |
40600 | 36 2d 31 38 28 31 34 2d 32 33 29 31 35 2d 39 2d 38 2d 31 32 2d 31 37 28 31 33 2d 31 35 29 32 35 | 6-18(14-23)15-9-8-12-17(13-15)25 |
40620 | 2d 31 36 2d 31 30 2d 36 2d 35 2d 37 2d 31 31 2d 31 36 2f 68 35 2d 31 33 2c 31 38 2d 31 39 48 2c | -16-10-6-5-7-11-16/h5-13,18-19H, |
40640 | 31 2d 34 48 33 00 00 06 03 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 1c 04 77 61 72 | 1-4H3......._id.V..6+r.5o....war |
40660 | 6e 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 00 00 04 4d 50 | nings.......fingerprints.A....MP |
40680 | 32 44 00 36 01 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 | 2D.6....0.....1;1-1-28;2-1-1;2-1 |
406a0 | 2d 32 3b 00 02 31 00 24 00 00 00 32 38 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 35 3b | -2;..1.$...28;1-2-1;1-1-2;2-1-5; |
406c0 | 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 38 3b 00 02 32 00 1c 00 00 00 31 3b 31 2d 31 2d 35 3b 31 2d | 2-1-10;2-1-18;..2.....1;1-1-5;1- |
406e0 | 31 2d 32 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 00 17 00 00 00 35 3b 31 2d 33 2d 31 | 1-28;2-3-1;2-1-2;..3.....5;1-3-1 |
40700 | 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 32 38 3b 00 02 34 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 | ;2-1-10;2-1-28;..4.....1;1-1-5;2 |
40720 | 2d 32 2d 31 3b 00 02 35 00 1c 00 00 00 31 3b 31 2d 31 2d 35 3b 31 2d 31 2d 31 30 3b 32 2d 32 2d | -2-1;..5.....1;1-1-5;1-1-10;2-2- |
40740 | 31 3b 32 2d 31 2d 32 3b 00 02 36 00 24 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 | 1;2-1-2;..6.$...10;1-1-1;1-1-2;2 |
40760 | 2d 31 2d 35 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 32 38 3b 00 02 37 00 1e 00 00 00 32 3b 31 2d 31 | -1-5;2-1-18;2-1-28;..7.....2;1-1 |
40780 | 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 38 00 18 00 00 00 | -10;1-1-18;1-1-28;2-3-1;..8..... |
407a0 | 31 38 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 32 38 3b 00 00 00 04 64 61 74 61 73 | 18;1-1-2;2-1-10;2-1-28;....datas |
407c0 | 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c | et_ids......0.V..4+r.5o....1.V.. |
407e0 | 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b | :+r.5o....2.V..;+r.5o....3.V..<+ |
40800 | 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed | r.5o....4.V..=+r.5o....5.V..>+r. |
40820 | 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f | 5o....6.V..?+r.5o....7.V..@+r.5o |
40840 | 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 | ....8.V..A+r.5o....9.V..B+r.5o.. |
40860 | d1 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 | ..10.V..C+r.5o.....features./... |
40880 | 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 | .56ba0c342b72ed356f000000......0 |
408a0 | 00 f0 6c e1 f2 d0 a9 c7 3f 00 00 02 73 6d 69 6c 65 73 00 0f 00 00 00 43 4e 31 43 4e 28 43 29 43 | ..l.....?...smiles.....CN1CN(C)C |
408c0 | 53 43 31 3d 53 00 09 75 70 64 61 74 65 64 5f 61 74 00 60 ea bf c6 52 01 00 00 09 63 72 65 61 74 | SC1=S..updated_at.`...R....creat |
408e0 | 65 64 5f 61 74 00 44 b3 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at.D...R....default_fingerpri |
40900 | 6e 74 5f 73 69 7a 65 00 09 00 00 00 02 69 6e 63 68 69 00 35 00 00 00 49 6e 43 68 49 3d 31 53 2f | nt_size......inchi.5...InChI=1S/ |
40920 | 43 35 48 31 30 4e 32 53 32 2f 63 31 2d 36 2d 33 2d 37 28 32 29 35 28 38 29 39 2d 34 2d 36 2f 68 | C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h |
40940 | 33 2d 34 48 32 2c 31 2d 32 48 33 00 00 f7 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 | 3-4H2,1-2H3......._id.V..6+r.5o. |
40960 | 01 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 69 6e 74 73 00 96 | ...warnings.......fingerprints.. |
40980 | 02 00 00 04 4d 50 32 44 00 8b 02 00 00 02 30 00 0f 00 00 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 2d | ....MP2D......0.....7;1-1-4;2-1- |
409a0 | 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 33 3b 32 2d | 1;..1.....4;1-1-1;1-1-7;2-1-3;2- |
409c0 | 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 31 2d 38 3b | 1-8;..2.'...1;1-1-3;1-1-4;1-1-8; |
409e0 | 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 31 2d 31 2d | 2-1-2;2-2-3;2-1-7;..3.!...3;1-1- |
40a00 | 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 34 00 15 00 | 1;1-2-3;2-2-3;2-1-4;2-1-8;..4... |
40a20 | 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; |
40a40 | 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 32 2d 32 2d | 1-2-3;2-2-3;..6.....3;1-2-3;2-2- |
40a60 | 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- |
40a80 | 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 32 2d 33 3b | 3-3;..8.....3;1-2-3;2-1-1;2-2-3; |
40aa0 | 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 00 02 31 30 | 2-1-8;..9.....8;1-2-3;2-4-3;..10 |
40ac0 | 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 |
40ae0 | 2d 31 2d 34 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 2d | -1-4;2-1-9;..11.....2;1-1-1;1-1- |
40b00 | 38 3b 31 2d 31 2d 39 3b 32 2d 33 2d 31 3b 00 02 31 32 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 | 8;1-1-9;2-3-1;..12.....9;1-1-2;2 |
40b20 | 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 33 00 27 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d | -1-1;2-1-8;..13.'...1;1-2-1;1-1- |
40b40 | 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 02 31 34 00 1b | 2;2-4-1;2-1-2;2-1-8;2-1-9;..14.. |
40b60 | 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 32 2d 32 3b 00 02 31 | ...1;1-2-1;1-1-2;2-4-1;2-2-2;..1 |
40b80 | 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 31 36 00 0f | 5.....1;1-4-1;2-2-1;2-2-2;..16.. |
40ba0 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 37 00 1c 00 00 00 32 3b 31 2d 31 2d | ...1;1-1-1;2-3-1;..17.....2;1-1- |
40bc0 | 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 32 2d 31 35 3b 00 02 31 38 00 16 00 00 00 32 3b | 1;1-1-2;2-2-1;2-2-15;..18.....2; |
40be0 | 31 2d 31 2d 32 3b 31 2d 32 2d 31 35 3b 32 2d 31 2d 31 3b 00 02 31 39 00 17 00 00 00 31 35 3b 31 | 1-1-2;1-2-15;2-1-1;..19.....15;1 |
40c00 | 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 | -1-2;2-1-2;2-1-15;....dataset_id |
40c20 | 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 | s......0.V..4+r.5o....1.V..:+r.5 |
40c40 | 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 | o....2.V..:+r.5o....3.V..;+r.5o. |
40c60 | 01 c4 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 | ...4.V..<+r.5o....5.V..=+r.5o... |
40c80 | 07 36 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 38 | .6.V..>+r.5o....7.V..?+r.5o....8 |
40ca0 | 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 39 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 30 00 | .V..@+r.5o....9.V..A+r.5o....10. |
40cc0 | 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 31 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 07 31 32 00 | V..B+r.5o....11.V..C+r.5o....12. |
40ce0 | 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 | V..C+r.5o.....features.:....56ba |
40d00 | 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 50 80 05 ad | 0c342b72ed356f000000......0.P... |
40d20 | 79 0f c7 3f 01 31 00 6b 00 b2 e6 4c bf be 3f 00 00 02 73 6d 69 6c 65 73 00 34 00 00 00 4e 23 43 | y..?.1.k...L..?...smiles.4...N#C |
40d40 | 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 28 | C(c1cccc(c1)Oc1ccccc1)OC(=O)C1C( |
40d60 | 43 31 28 43 29 43 29 43 3d 43 28 43 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 c1 e8 bf | C1(C)C)C=C(Cl)Cl..updated_at.... |
40d80 | c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 4b b3 bf c6 52 01 00 00 10 64 65 66 61 75 6c | .R....created_at.K...R....defaul |
40da0 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 14 00 00 00 02 69 6e 63 68 69 00 81 00 | t_fingerprint_size......inchi... |
40dc0 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 32 48 31 39 43 6c 32 4e 4f 33 2f 63 31 2d 32 32 28 32 29 | ..InChI=1S/C22H19Cl2NO3/c1-22(2) |
40de0 | 31 37 28 31 32 2d 31 39 28 32 33 29 32 34 29 32 30 28 32 32 29 32 31 28 32 36 29 32 38 2d 31 38 | 17(12-19(23)24)20(22)21(26)28-18 |
40e00 | 28 31 33 2d 32 35 29 31 34 2d 37 2d 36 2d 31 30 2d 31 36 28 31 31 2d 31 34 29 32 37 2d 31 35 2d | (13-25)14-7-6-10-16(11-14)27-15- |
40e20 | 38 2d 34 2d 33 2d 35 2d 39 2d 31 35 2f 68 33 2d 31 32 2c 31 37 2d 31 38 2c 32 30 48 2c 31 2d 32 | 8-4-3-5-9-15/h3-12,17-18,20H,1-2 |
40e40 | 48 33 00 00 fe 03 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 1e 04 77 61 72 6e 69 6e | H3......._id.V..6+r.5o....warnin |
40e60 | 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. |
40e80 | cb 01 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 1c 00 | .....0.....15;1-1-1;2-2-1;..1... |
40ea0 | 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 38 3b 00 02 32 | ..1;1-2-1;1-1-15;2-3-1;2-1-8;..2 |
40ec0 | 00 22 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 38 3b 32 | ."...1;1-2-1;1-1-8;2-3-1;2-1-8;2 |
40ee0 | 2d 31 2d 31 35 3b 00 02 33 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b 00 02 34 00 | -1-15;..3.....8;1-2-1;2-4-1;..4. |
40f00 | 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;.. |
40f20 | 35 00 22 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b | 5."...1;1-3-1;2-4-1;2-1-2;2-1-8; |
40f40 | 32 2d 31 2d 31 35 3b 00 02 36 00 1c 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 34 2d 31 3b 32 2d 31 | 2-1-15;..6.....1;1-3-1;2-4-1;2-1 |
40f60 | 2d 32 3b 32 2d 32 2d 31 35 3b 00 02 37 00 29 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b | -2;2-2-15;..7.)...1;1-2-1;1-1-2; |
40f80 | 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 00 02 38 00 16 00 | 1-1-15;2-3-1;2-1-2;2-3-15;..8... |
40fa0 | 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 39 00 23 00 00 00 32 | ..15;1-1-1;2-2-1;2-1-2;..9.#...2 |
40fc0 | 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 |
40fe0 | 3b 00 02 31 30 00 23 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 32 2d 31 35 3b 32 2d 32 2d 31 3b 32 | ;..10.#...1;1-2-1;1-2-15;2-2-1;2 |
41000 | 2d 32 2d 32 3b 32 2d 32 2d 31 35 3b 00 02 31 31 00 17 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d | -2-2;2-2-15;..11.....15;1-1-1;2- |
41020 | 32 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 31 32 00 16 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 | 2-1;2-1-15;..12.....15;1-1-2;2-1 |
41040 | 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 | -1;2-1-2;....dataset_ids......0. |
41060 | 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba | V..4+r.5o....1.V..:+r.5o....2.V. |
41080 | 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3c | .;+r.5o....3.V..;+r.5o....4.V..< |
410a0 | 2b 72 ed 35 6f 00 01 c6 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3e 2b 72 | +r.5o....5.V..=+r.5o....6.V..>+r |
410c0 | ed 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 38 00 56 ba 0c 3f 2b 72 ed 35 | .5o....7.V..?+r.5o....8.V..?+r.5 |
410e0 | 6f 00 01 cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c 41 2b 72 ed 35 6f | o....9.V..@+r.5o....10.V..A+r.5o |
41100 | 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f | ....11.V..B+r.5o....12.V..C+r.5o |
41120 | 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 | .....features.:....56ba0c342b72e |
41140 | 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 0b a1 16 68 65 d5 40 3f 01 31 00 0b a1 | d356f000000......0....he.@?.1... |
41160 | 16 68 65 d5 10 3f 00 00 02 73 6d 69 6c 65 73 00 2d 00 00 00 43 6c 43 31 43 32 4f 43 32 43 32 43 | .he..?...smiles.-...ClC1C2OC2C2C |
41180 | 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 43 6c | 1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl |
411a0 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 ae e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.....R....created_at |
411c0 | 00 51 b3 bf c6 52 01 00 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...R....default_fingerprint_si |
411e0 | 7a 65 00 0d 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 35 | ze......inchi.O...InChI=1S/C10H5 |
41200 | 43 6c 37 4f 2f 63 31 31 2d 33 2d 31 2d 32 28 34 2d 35 28 33 29 31 38 2d 34 29 39 28 31 35 29 37 | Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7 |
41220 | 28 31 33 29 36 28 31 32 29 38 28 31 2c 31 34 29 31 30 28 39 2c 31 36 29 31 37 2f 68 31 2d 35 48 | (13)6(12)8(1,14)10(9,16)17/h1-5H |
41240 | 00 00 4c 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 1f 04 77 61 72 6e 69 6e 67 73 | ..L...._id.V..6+r.5o....warnings |
41260 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 55 02 00 00 04 4d 50 32 44 00 4a 02 | .......fingerprints.U....MP2D.J. |
41280 | 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 |
412a0 | 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 2d 31 | ;1-1-1;1-1-8;2-1-2;..2.....8;1-1 |
412c0 | 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 22 00 00 00 32 3b 31 | -1;1-1-2;2-2-1;2-1-9;..3."...2;1 |
412e0 | 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 31 31 3b 00 02 | -1-1;1-1-8;1-1-9;2-1-1;2-1-11;.. |
41300 | 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 22 00 | 4.....9;1-1-2;2-1-1;2-1-8;..5.". |
41320 | 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 | ..1;1-1-2;1-1-11;2-2-3;2-1-8;2-1 |
41340 | 2d 39 3b 00 02 36 00 29 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b | -9;..6.)...11;1-1-1;1-2-3;2-1-2; |
41360 | 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 38 3b 00 02 37 00 23 00 00 00 33 3b 31 2d 31 | 2-2-3;2-1-9;2-1-18;..7.#...3;1-1 |
41380 | 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 32 2d 33 3b 00 02 38 | -9;1-1-11;1-1-18;2-1-1;2-2-3;..8 |
413a0 | 00 17 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 38 3b 00 02 39 00 1d | .....9;1-1-3;2-1-11;2-1-18;..9.. |
413c0 | 00 00 00 31 38 3b 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 | ...18;1-2-3;2-2-3;2-1-9;2-1-11;. |
413e0 | 02 31 30 00 1d 00 00 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 | .10.....3;1-2-3;1-1-18;2-3-3;2-1 |
41400 | 2d 31 31 3b 00 02 31 31 00 2a 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d | -11;..11.*...3;1-2-3;1-1-11;2-1- |
41420 | 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 31 38 3b 00 02 31 32 00 1d 00 00 00 33 | 1;2-3-3;2-1-15;2-1-18;..12.....3 |
41440 | 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 33 00 | ;1-2-3;1-1-15;2-2-3;2-1-11;..13. |
41460 | 10 00 00 00 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 | ....15;1-1-3;2-2-3;..14.....3;1- |
41480 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 35 00 0f 00 00 00 33 3b 31 2d 32 2d | 2-3;2-2-3;2-1-15;..15.....3;1-2- |
414a0 | 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 |
414c0 | 2d 31 2d 31 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c | -1-18;....dataset_ids......0.V.. |
414e0 | 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b | 4+r.5o....1.V..:+r.5o....2.V..;+ |
41500 | 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed | r.5o....3.V..<+r.5o....4.V..=+r. |
41520 | 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f | 5o....5.V..>+r.5o....6.V..?+r.5o |
41540 | 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 | ....7.V..@+r.5o....8.V..A+r.5o.. |
41560 | d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 | ..9.V..B+r.5o....10.V..C+r.5o... |
41580 | 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 | ..features./....56ba0c342b72ed35 |
415a0 | 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 c4 ad d5 8a bc 8d a7 3f 00 00 02 73 6d 69 6c 65 | 6f000000......0........?...smile |
415c0 | 73 00 1f 00 00 00 43 43 4f 43 28 3d 4f 29 43 6e 31 63 28 3d 4f 29 73 63 32 63 31 63 28 43 6c 29 | s.....CCOC(=O)Cn1c(=O)sc2c1c(Cl) |
415e0 | 63 63 63 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 89 e6 bf c6 52 01 00 00 09 63 72 65 61 74 65 | ccc2..updated_at.....R....create |
41600 | 64 5f 61 74 00 5c b3 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.\...R....default_fingerprin |
41620 | 74 5f 73 69 7a 65 00 11 00 00 00 02 69 6e 63 68 69 00 57 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.W...InChI=1S/C |
41640 | 31 31 48 31 30 43 6c 4e 4f 33 53 2f 63 31 2d 32 2d 31 36 2d 39 28 31 34 29 36 2d 31 33 2d 31 30 | 11H10ClNO3S/c1-2-16-9(14)6-13-10 |
41660 | 2d 37 28 31 32 29 34 2d 33 2d 35 2d 38 28 31 30 29 31 37 2d 31 31 28 31 33 29 31 35 2f 68 33 2d | -7(12)4-3-5-8(10)17-11(13)15/h3- |
41680 | 35 48 2c 32 2c 36 48 32 2c 31 48 33 00 00 64 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f | 5H,2,6H2,1H3..d...._id.V..6+r.5o |
416a0 | 00 01 20 04 77 61 72 6e 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. |
416c0 | 3e 02 00 00 04 4d 50 32 44 00 33 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 | >....MP2D.3....0.....1;1-1-1;2-1 |
416e0 | 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 00 1c 00 | -1;..1.....1;1-2-1;2-1-19;..2... |
41700 | 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 33 | ..1;1-1-1;1-1-19;2-2-1;2-1-3;..3 |
41720 | 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 2d 33 3b | .....19;1-2-1;1-1-3;2-2-1;2-2-3; |
41740 | 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 32 2d 32 | ..4.#...3;1-2-3;1-1-19;2-2-1;2-2 |
41760 | 2d 33 3b 32 2d 32 2d 31 39 3b 00 02 35 00 2a 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 | -3;2-2-19;..5.*...3;1-2-3;1-1-19 |
41780 | 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 36 00 1c | ;2-2-3;2-1-9;2-1-19;2-1-32;..6.. |
417a0 | 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 00 02 | ...3;1-2-3;2-1-1;2-2-3;2-1-19;.. |
417c0 | 37 00 23 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 | 7.#...3;1-1-1;1-2-3;2-2-3;2-3-16 |
417e0 | 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 39 3b 32 | ;2-1-19;..8.#...3;1-2-3;1-1-19;2 |
41800 | 2d 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 | -1-1;2-2-3;2-1-19;..9.*...3;1-2- |
41820 | 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 39 3b 32 2d 31 2d | 3;1-1-19;2-2-3;2-1-9;2-2-19;2-1- |
41840 | 33 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;..10.....19;1-1-3;1-1-9;1-1-3 |
41860 | 32 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 | 2;2-2-3;..11.....9;1-1-19;2-1-3; |
41880 | 32 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 | 2-1-32;..12.....32;1-1-19;2-1-3; |
418a0 | 32 2d 31 2d 39 3b 00 02 31 33 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 | 2-1-9;..13.....19;1-1-3;2-2-3;.. |
418c0 | 31 34 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 35 | 14.....1;1-1-3;1-3-16;2-2-3;..15 |
418e0 | 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 04 64 | .....16;1-1-1;2-1-3;2-2-16;....d |
41900 | 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 | ataset_ids......0.V..4+r.5o....1 |
41920 | 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 | .V..:+r.5o....2.V..;+r.5o....3.V |
41940 | ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c | ..<+r.5o....4.V..<+r.5o....5.V.. |
41960 | 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b | >+r.5o....6.V..?+r.5o....7.V..@+ |
41980 | 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed | r.5o....8.V..A+r.5o....9.V..B+r. |
419a0 | 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 | 5o....10.V..C+r.5o.....features. |
419c0 | 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 | /....56ba0c342b72ed356f000000... |
419e0 | 00 00 01 30 00 b7 01 55 95 68 7c b5 3f 00 00 02 73 6d 69 6c 65 73 00 39 00 00 00 43 43 43 4e 28 | ...0...U.h|.?...smiles.9...CCCN( |
41a00 | 63 31 63 28 63 63 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 | c1c(cc(c(c1[N+](=O)[O-])N)C(F)(F |
41a20 | 29 46 29 5b 4e 2b 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 | )F)[N+](=O)[O-])CCC..updated_at. |
41a40 | 29 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 63 b3 bf c6 52 01 00 00 10 64 65 66 | )...R....created_at.c...R....def |
41a60 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 10 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
41a80 | 00 6c 00 00 00 49 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 | .l...InChI=1S/C13H17F3N4O4/c1-3- |
41aa0 | 35 2d 31 38 28 36 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 | 5-18(6-4-2)11-9(19(21)22)7-8(13( |
41ac0 | 31 34 2c 31 35 29 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 | 14,15)16)10(17)12(11)20(23)24/h7 |
41ae0 | 48 2c 33 2d 36 2c 31 37 48 32 2c 31 2d 32 48 33 00 00 c3 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b | H,3-6,17H2,1-2H3......._id.V..6+ |
41b00 | 72 ed 35 6f 00 01 21 04 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.5o..!.warnings.......fingerpri |
41b20 | 6e 74 73 00 7c 02 00 00 04 4d 50 32 44 00 71 02 00 00 02 30 00 0f 00 00 00 37 3b 31 2d 31 2d 34 | nts.|....MP2D.q....0.....7;1-1-4 |
41b40 | 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 32 | ;2-1-1;..1.....4;1-1-1;1-1-7;2-2 |
41b60 | 2d 31 3b 32 2d 31 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 | -1;2-1-3;..2.....1;1-2-1;1-1-3;1 |
41b80 | 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 02 | -1-4;2-1-1;2-2-3;2-1-7;2-1-11;.. |
41ba0 | 33 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 3b | 3.!...3;1-1-1;1-2-3;2-2-1;2-2-3; |
41bc0 | 32 2d 31 2d 34 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 | 2-1-4;..4.....3;1-2-3;2-1-1;2-2- |
41be0 | 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 29 00 00 00 | 3;..5.....3;1-2-3;2-2-3;..6.)... |
41c00 | 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 2d 34 | 1;1-1-1;1-1-11;2-1-1;2-2-3;2-1-4 |
41c20 | 3b 32 2d 31 2d 31 31 3b 00 02 37 00 2a 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 | ;2-1-11;..7.*...11;1-1-1;1-1-3;1 |
41c40 | 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 38 00 1d 00 00 | -1-11;2-1-1;2-1-3;2-1-11;..8.... |
41c60 | 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 39 | .3;1-2-11;2-1-1;2-1-3;2-1-11;..9 |
41c80 | 00 11 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 30 00 17 00 00 00 33 3b | .....11;1-2-3;2-2-11;..10.....3; |
41ca0 | 31 2d 32 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 24 00 00 00 31 31 3b | 1-2-11;2-1-3;2-1-11;..11.$...11; |
41cc0 | 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; |
41ce0 | 00 02 31 32 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 | ..12.....1;1-2-1;2-1-1;2-2-3;2-1 |
41d00 | 2d 34 3b 00 02 31 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 | -4;..13.....1;1-1-1;1-1-3;2-1-1; |
41d20 | 32 2d 32 2d 33 3b 00 02 31 34 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;..14.....3;1-1-1;1-2-3;2-1 |
41d40 | 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 32 2d 33 3b | -1;2-2-3;..15.....3;1-2-3;2-2-3; |
41d60 | 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 3b 32 | 2-1-15;..16.....3;1-2-3;1-1-15;2 |
41d80 | 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 00 | -2-3;..17.....15;1-1-3;2-2-3;... |
41da0 | 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 | .dataset_ids......0.V..4+r.5o... |
41dc0 | 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 33 | .1.V..9+r.5o....2.V..:+r.5o....3 |
41de0 | 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 | .V..;+r.5o....4.V..<+r.5o....5.V |
41e00 | ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 37 00 56 ba 0c | ..=+r.5o....6.V..=+r.5o....7.V.. |
41e20 | 3e 2b 72 ed 35 6f 00 01 ca 07 38 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 39 00 56 ba 0c 40 2b | >+r.5o....8.V..?+r.5o....9.V..@+ |
41e40 | 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b | r.5o....10.V..A+r.5o....11.V..B+ |
41e60 | 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 | r.5o....12.V..C+r.5o.....feature |
41e80 | 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 | s.:....56ba0c342b72ed356f000000. |
41ea0 | 1b 00 00 00 01 30 00 1a 5d b2 82 f4 66 be 3f 01 31 00 d4 c5 05 62 37 cd b6 3f 00 00 02 73 6d 69 | .....0..]...f.?.1....b7..?...smi |
41ec0 | 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 29 | les.'...N#CC(c1ccccc1)(Cn1cncn1) |
41ee0 | 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 50 e9 bf c6 52 | CCc1ccc(cc1)Cl..updated_at.P...R |
41f00 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 6a b3 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.j...R....default_ |
41f20 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 12 00 00 00 02 69 6e 63 68 69 00 74 00 00 00 | fingerprint_size......inchi.t... |
41f40 | 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 31 | InChI=1S/C19H17ClN4/c20-18-8-6-1 |
41f60 | 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 35 | 6(7-9-18)10-11-19(12-21,13-24-15 |
41f80 | 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 2d | -22-14-23-24)17-4-2-1-3-5-17/h1- |
41fa0 | 39 2c 31 34 2d 31 35 48 2c 31 30 2d 31 31 2c 31 33 48 32 00 00 4f 04 00 00 07 5f 69 64 00 56 ba | 9,14-15H,10-11,13H2..O...._id.V. |
41fc0 | 0c 36 2b 72 ed 35 6f 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 | .6+r.5o..".warnings.......finger |
41fe0 | 70 72 69 6e 74 73 00 3b 02 00 00 04 4d 50 32 44 00 30 02 00 00 02 30 00 10 00 00 00 31 35 3b 31 | prints.;....MP2D.0....0.....15;1 |
42000 | 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 |
42020 | 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 2d | 5;2-2-3;..2.....3;1-2-3;2-2-3;2- |
42040 | 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 33 | 1-15;..3.....3;1-2-3;2-1-1;2-2-3 |
42060 | 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 32 | ;..4.....3;1-1-1;1-2-3;2-1-1;2-2 |
42080 | 2d 33 3b 00 02 35 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 | -3;..5.....1;1-1-1;1-1-3;2-1-1;2 |
420a0 | 2d 32 2d 33 3b 00 02 36 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 | -2-3;..6.....1;1-2-1;2-2-1;2-1-3 |
420c0 | 3b 32 2d 31 2d 38 3b 00 02 37 00 1c 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 38 3b 32 2d 34 | ;2-1-8;..7.....1;1-3-1;1-1-8;2-4 |
420e0 | 2d 31 3b 32 2d 31 2d 31 31 3b 00 02 38 00 15 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 32 2d 31 3b | -1;2-1-11;..8.....1;1-4-1;2-2-1; |
42100 | 32 2d 31 2d 38 3b 00 02 39 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 30 | 2-1-8;..9.....1;1-1-1;2-3-1;..10 |
42120 | 00 29 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b | .)...1;1-1-1;1-1-11;2-2-1;2-1-3; |
42140 | 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 2a 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 | 2-1-8;2-1-11;..11.*...11;1-1-1;1 |
42160 | 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 00 | -1-3;1-1-11;2-1-1;2-1-3;2-1-11;. |
42180 | 02 31 32 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 | .12.....3;1-2-11;2-1-1;2-1-3;2-1 |
421a0 | 2d 31 31 3b 00 02 31 33 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;..13.....11;1-2-3;2-2-11;..1 |
421c0 | 34 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 35 | 4.....3;1-2-11;2-1-3;2-1-11;..15 |
421e0 | 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 33 | .$...11;1-1-3;1-1-11;2-1-1;2-1-3 |
42200 | 3b 32 2d 31 2d 31 31 3b 00 02 31 36 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 | ;2-1-11;..16.....8;1-1-1;2-3-1;. |
42220 | 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 | ...dataset_ids......0.V..4+r.5o. |
42240 | 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 | ...1.V..:+r.5o....2.V..;+r.5o... |
42260 | 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 | .3.V..<+r.5o....4.V..=+r.5o....5 |
42280 | 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 | .V..>+r.5o....6.V..?+r.5o....7.V |
422a0 | ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c | ..@+r.5o....8.V..A+r.5o....9.V.. |
422c0 | 42 2b 72 ed 35 6f 00 01 d1 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 | B+r.5o....10.V..C+r.5o.....featu |
422e0 | 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 | res./....56ba0c342b72ed356f00000 |
42300 | 30 00 10 00 00 00 01 30 00 2b 4e 5d 1d 5f 72 aa 3f 00 00 02 73 6d 69 6c 65 73 00 25 00 00 00 43 | 0......0.+N]._r.?...smiles.%...C |
42320 | 6c 63 31 63 63 63 28 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 | lc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn |
42340 | 31 29 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 43 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 | 1)O..updated_at.C...R....created |
42360 | 5f 61 74 00 71 b3 bf c6 52 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...R....default_fingerprint |
42380 | 5f 73 69 7a 65 00 11 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 | _size......inchi.n...InChI=1S/C1 |
423a0 | 36 48 32 32 43 6c 4e 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 | 6H22ClN3O/c1-15(2,3)16(21,10-20- |
423c0 | 31 32 2d 31 38 2d 31 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 | 12-18-11-19-20)9-8-13-4-6-14(17) |
423e0 | 37 2d 35 2d 31 33 2f 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 | 7-5-13/h4-7,11-12,21H,8-10H2,1-3 |
42400 | 48 33 00 00 2d 05 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 23 04 77 61 72 6e 69 6e | H3..-...._id.V..6+r.5o..#.warnin |
42420 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ab 02 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
42440 | a0 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 38 3b 00 | .....0.....9;1-1-2;2-1-1;2-1-8;. |
42460 | 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 2d 33 2d 31 | .1.....2;1-1-1;1-1-8;1-1-9;2-3-1 |
42480 | 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 34 2d 31 3b 32 2d 31 | ;..2.'...1;1-2-1;1-1-2;2-4-1;2-1 |
424a0 | 2d 32 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 32 2d 31 3b 31 | -2;2-1-8;2-1-9;..3.....1;1-2-1;1 |
424c0 | 2d 31 2d 32 3b 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 | -1-2;2-4-1;2-2-2;..4.....1;1-4-1 |
424e0 | 3b 32 2d 32 2d 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 | ;2-2-1;2-2-2;..5.....1;1-1-1;2-3 |
42500 | 2d 31 3b 00 02 36 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 | -1;..6.....2;1-1-1;1-1-2;2-3-1;2 |
42520 | 2d 31 2d 31 35 3b 00 02 37 00 23 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d | -1-15;..7.#...2;1-1-1;1-1-2;1-1- |
42540 | 31 35 3b 32 2d 31 2d 31 3b 32 2d 33 2d 31 36 3b 00 02 38 00 1d 00 00 00 31 3b 31 2d 31 2d 32 3b | 15;2-1-1;2-3-16;..8.....1;1-1-2; |
42560 | 31 2d 33 2d 31 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 39 00 17 00 00 00 31 36 3b 31 | 1-3-16;2-1-2;2-1-15;..9.....16;1 |
42580 | 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 31 36 3b 00 02 31 30 00 16 00 00 00 31 35 3b 31 2d | -1-1;2-1-2;2-2-16;..10.....15;1- |
425a0 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 31 00 21 00 00 00 38 3b 31 2d 31 2d 31 | 1-2;2-1-1;2-1-2;..11.!...8;1-1-1 |
425c0 | 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 32 00 1b 00 | ;1-1-2;2-1-1;2-1-3;2-1-9;..12... |
425e0 | 00 00 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 31 33 | ..1;1-1-3;1-1-8;2-1-2;2-2-3;..13 |
42600 | 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 |
42620 | 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 2d | -1-8;..14.....3;1-2-3;2-1-1;2-2- |
42640 | 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 0f 00 | 3;..15.....3;1-2-3;2-2-3;..16... |
42660 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 00 02 31 37 00 15 00 00 00 33 3b 31 2d 33 2d 33 | ..3;1-2-3;2-3-3;..17.....3;1-3-3 |
42680 | 3b 32 2d 31 2d 31 3b 32 2d 34 2d 33 3b 00 02 31 38 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d | ;2-1-1;2-4-3;..18.....3;1-1-1;1- |
426a0 | 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 02 31 39 00 0f 00 00 00 31 3b 31 2d 31 2d 33 | 2-3;2-1-1;2-3-3;..19.....1;1-1-3 |
426c0 | 3b 32 2d 32 2d 33 3b 00 02 32 30 00 0f 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 34 2d 33 3b 00 00 | ;2-2-3;..20.....3;1-3-3;2-4-3;.. |
426e0 | 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 db 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 | ..dataset_ids......0.V..4+r.5o.. |
42700 | 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 | ..1.V..9+r.5o....2.V..:+r.5o.... |
42720 | 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 | 3.V..;+r.5o....4.V..<+r.5o....5. |
42740 | 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 36 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 37 00 56 ba | V..<+r.5o....6.V..=+r.5o....7.V. |
42760 | 0c 3e 2b 72 ed 35 6f 00 01 ca 07 38 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 39 00 56 ba 0c 40 | .>+r.5o....8.V..?+r.5o....9.V..@ |
42780 | 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 | +r.5o....10.V..A+r.5o....11.V..B |
427a0 | 2b 72 ed 35 6f 00 01 d1 07 31 32 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 33 00 56 ba 0c 43 | +r.5o....12.V..B+r.5o....13.V..C |
427c0 | 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 45 00 00 00 04 35 36 62 61 30 63 33 34 | +r.5o.....features.E....56ba0c34 |
427e0 | 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 26 00 00 00 01 30 00 7d 01 a8 fc 31 37 88 3f | 2b72ed356f000000.&....0.}...17.? |
42800 | 01 31 00 7d 01 a8 fc 31 37 88 3f 01 32 00 97 67 86 30 5b 5f 93 3f 00 00 02 73 6d 69 6c 65 73 00 | .1.}...17.?.2..g.0[_.?...smiles. |
42820 | 35 00 00 00 4f 3d 43 28 43 31 43 28 43 31 28 43 29 43 29 43 3d 43 28 43 28 46 29 28 46 29 46 29 | 5...O=C(C1C(C1(C)C)C=C(C(F)(F)F) |
42840 | 43 6c 29 4f 43 63 31 63 63 63 63 28 63 31 43 29 63 31 63 63 63 63 63 31 00 09 75 70 64 61 74 65 | Cl)OCc1cccc(c1C)c1ccccc1..update |
42860 | 64 5f 61 74 00 54 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 78 b3 bf c6 52 01 00 | d_at.T...R....created_at.x...R.. |
42880 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 15 00 00 00 02 | ..default_fingerprint_size...... |
428a0 | 69 6e 63 68 69 00 86 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 33 48 32 32 43 6c 46 33 4f 32 2f | inchi.....InChI=1S/C23H22ClF3O2/ |
428c0 | 63 31 2d 31 34 2d 31 36 28 31 30 2d 37 2d 31 31 2d 31 37 28 31 34 29 31 35 2d 38 2d 35 2d 34 2d | c1-14-16(10-7-11-17(14)15-8-5-4- |
428e0 | 36 2d 39 2d 31 35 29 31 33 2d 32 39 2d 32 31 28 32 38 29 32 30 2d 31 38 28 32 32 28 32 30 2c 32 | 6-9-15)13-29-21(28)20-18(22(20,2 |
42900 | 29 33 29 31 32 2d 31 39 28 32 34 29 32 33 28 32 35 2c 32 36 29 32 37 2f 68 34 2d 31 32 2c 31 38 | )3)12-19(24)23(25,26)27/h4-12,18 |
42920 | 2c 32 30 48 2c 31 33 48 32 2c 31 2d 33 48 33 00 00 3d 03 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 | ,20H,13H2,1-3H3..=...._id.V..6+r |
42940 | ed 35 6f 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 70 72 69 6e | .5o..$.warnings.......fingerprin |
42960 | 74 73 00 34 01 00 00 04 4d 50 32 44 00 29 01 00 00 02 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 31 | ts.4....MP2D.)....0.....32;1-1-1 |
42980 | 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 |
429a0 | 2d 31 2d 39 3b 31 2d 31 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 32 00 17 00 00 00 39 3b 31 2d 31 2d | -1-9;1-1-32;2-2-3;..2.....9;1-1- |
429c0 | 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 33 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b | 19;2-1-3;2-1-32;..3.#...3;1-2-3; |
429e0 | 31 2d 31 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 33 32 3b 00 02 34 00 1d 00 | 1-1-19;2-2-3;2-1-9;2-1-32;..4... |
42a00 | 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 3b 00 02 | ..3;1-2-3;2-2-3;2-1-15;2-1-19;.. |
42a20 | 35 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 | 5.....3;1-2-3;1-1-15;2-2-3;2-1-1 |
42a40 | 39 3b 00 02 36 00 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 | 9;..6.....15;1-1-3;2-2-3;..7.... |
42a60 | 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 3b 00 02 38 | .3;1-2-3;1-1-19;2-2-3;2-2-15;..8 |
42a80 | 00 10 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f | .....19;1-1-3;2-2-3;....dataset_ |
42aa0 | 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 | ids......0.V..4+r.5o....1.V..:+r |
42ac0 | ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 | .5o....2.V..;+r.5o....3.V..;+r.5 |
42ae0 | 6f 00 01 c5 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 | o....4.V..<+r.5o....5.V..=+r.5o. |
42b00 | 01 c8 07 36 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc | ...6.V..>+r.5o....7.V..?+r.5o... |
42b20 | 07 38 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 39 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 | .8.V..@+r.5o....9.V..A+r.5o....1 |
42b40 | 30 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 | 0.V..B+r.5o....11.V..B+r.5o....1 |
42b60 | 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 | 2.V..C+r.5o.....features.:....56 |
42b80 | 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 e7 f7 | ba0c342b72ed356f000000......0... |
42ba0 | 31 6a d3 2f e7 3f 01 31 00 1f 93 c1 21 a9 8c f2 3f 00 00 02 73 6d 69 6c 65 73 00 20 00 00 00 5b | 1j./.?.1....!...?...smiles.....[ |
42bc0 | 4f 2d 5d 5b 4e 2b 5d 28 3d 4f 29 63 31 63 63 28 43 6c 29 63 28 63 28 63 31 29 43 6c 29 4e 00 09 | O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N.. |
42be0 | 75 70 64 61 74 65 64 5f 61 74 00 75 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 82 | updated_at.u...R....created_at.. |
42c00 | b3 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | ...R....default_fingerprint_size |
42c20 | 00 09 00 00 00 02 69 6e 63 68 69 00 3d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 34 43 6c 32 | ......inchi.=...InChI=1S/C6H4Cl2 |
42c40 | 4e 32 4f 32 2f 63 37 2d 34 2d 31 2d 33 28 31 30 28 31 31 29 31 32 29 32 2d 35 28 38 29 36 28 34 | N2O2/c7-4-1-3(10(11)12)2-5(8)6(4 |
42c60 | 29 39 2f 68 31 2d 32 48 2c 39 48 32 00 00 d7 03 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f | )9/h1-2H,9H2......._id.V..6+r.5o |
42c80 | 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 00 | ..%.warnings.......fingerprints. |
42ca0 | d8 01 00 00 04 4d 50 32 44 00 cd 01 00 00 02 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 31 39 3b 32 | .....MP2D......0.....32;1-1-19;2 |
42cc0 | 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 31 2d | -1-3;2-1-9;..1.....19;1-1-3;1-1- |
42ce0 | 39 3b 31 2d 31 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 32 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b | 9;1-1-32;2-2-3;..2.....9;1-1-19; |
42d00 | 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 33 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | 2-1-3;2-1-32;..3.#...3;1-2-3;1-1 |
42d20 | 2d 31 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 33 32 3b 00 02 34 00 1c 00 00 00 33 | -19;2-2-3;2-1-9;2-1-32;..4.....3 |
42d40 | 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 35 00 28 00 | ;1-2-3;2-1-2;2-2-3;2-1-19;..5.(. |
42d60 | 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 2d | ..3;1-1-2;1-2-3;2-1-1;2-2-3;2-1- |
42d80 | 39 3b 32 2d 31 2d 32 38 3b 00 02 36 00 1c 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 | 9;2-1-28;..6.....2;1-1-3;1-1-9;1 |
42da0 | 2d 31 2d 32 38 3b 32 2d 32 2d 33 3b 00 02 37 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d | -1-28;2-2-3;..7.....9;1-1-2;2-1- |
42dc0 | 33 3b 32 2d 31 2d 32 38 3b 00 02 38 00 16 00 00 00 32 38 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b | 3;2-1-28;..8.....28;1-1-2;2-1-3; |
42de0 | 32 2d 31 2d 39 3b 00 02 39 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 2-1-9;..9."...3;1-1-1;1-2-3;2-1- |
42e00 | 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 29 00 00 00 33 3b 31 2d 32 2d 33 3b | 2;2-2-3;2-1-19;..10.)...3;1-2-3; |
42e20 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 33 32 3b | 1-1-19;2-1-1;2-2-3;2-1-9;2-1-32; |
42e40 | 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 32 2d 31 39 3b 00 02 | ..11.....3;1-2-3;2-2-3;2-2-19;.. |
42e60 | 31 32 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 | 12.....1;1-1-3;2-2-3;....dataset |
42e80 | 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b | _ids......0.V..4+r.5o....1.V..:+ |
42ea0 | 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed | r.5o....2.V..;+r.5o....3.V..<+r. |
42ec0 | 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f | 5o....4.V..<+r.5o....5.V..>+r.5o |
42ee0 | 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 | ....6.V..?+r.5o....7.V..@+r.5o.. |
42f00 | ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 | ..8.V..A+r.5o....9.V..B+r.5o.... |
42f20 | 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 | 10.V..C+r.5o.....features./....5 |
42f40 | 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 37 | 6ba0c342b72ed356f000000......0.7 |
42f60 | 54 11 ad a8 6c 9c 3f 00 00 02 73 6d 69 6c 65 73 00 2e 00 00 00 5b 4f 2d 5d 5b 4e 2b 5d 28 3d 4f | T...l.?...smiles.....[O-][N+](=O |
42f80 | 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 5d | )c1cc(C(=O)N)c(c(c1)[N+](=O)[O-] |
42fa0 | 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 3d e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f | )C..updated_at.=...R....created_ |
42fc0 | 61 74 00 88 b3 bf c6 52 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.....R....default_fingerprint_ |
42fe0 | 73 69 7a 65 00 0d 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 48 | size......inchi.P...InChI=1S/C8H |
43000 | 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 34 | 7N3O5/c1-4-6(8(9)12)2-5(10(13)14 |
43020 | 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 2c | )3-7(4)11(15)16/h2-3H,1H3,(H2,9, |
43040 | 31 32 29 00 00 99 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 26 04 77 61 72 6e 69 | 12)......._id.V..6+r.5o..&.warni |
43060 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 57 02 00 00 04 4d 50 32 44 | ngs.......fingerprints.W....MP2D |
43080 | 00 4c 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 | .L....0.....1;1-1-1;2-1-1;2-1-8; |
430a0 | 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 00 | ..1.....1;1-2-1;1-1-8;2-1-3;..2. |
430c0 | 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 02 | ....8;1-1-1;1-1-3;2-2-1;2-2-3;.. |
430e0 | 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; |
43100 | 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. |
43120 | 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 2d | ....3;1-2-3;2-2-3;..6.....3;1-2- |
43140 | 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 31 | 3;2-2-3;2-1-28;..7.....3;1-2-3;1 |
43160 | 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 2d | -1-28;2-1-2;2-2-3;..8.....3;1-2- |
43180 | 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 3b | 3;2-2-3;2-1-8;2-1-28;..9.....28; |
431a0 | 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 00 | 1-1-2;1-1-3;2-3-3;2-1-9;..10.... |
431c0 | 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 31 | .2;1-1-3;1-1-9;1-1-28;2-3-3;..11 |
431e0 | 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 28 | .....9;1-1-2;2-1-3;2-1-28;..12.( |
43200 | 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 |
43220 | 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 32 | -9;2-1-28;..13.....3;1-2-3;2-1-2 |
43240 | 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 3b 32 2d | ;2-2-3;..14.....3;1-2-3;2-1-1;2- |
43260 | 32 2d 33 3b 00 02 31 35 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 | 2-3;..15."...3;1-1-1;1-2-3;2-1-2 |
43280 | 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 31 36 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 | ;2-2-3;2-3-16;..16.....1;1-1-3;1 |
432a0 | 2d 33 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 31 37 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d | -3-16;2-2-3;..17.....16;1-1-1;2- |
432c0 | 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 | 1-3;2-2-16;....dataset_ids...... |
432e0 | 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 | 0.V..4+r.5o....1.V..:+r.5o....2. |
43300 | 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba | V..;+r.5o....3.V..<+r.5o....4.V. |
43320 | 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3e | .<+r.5o....5.V..=+r.5o....6.V..> |
43340 | 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 38 00 56 ba 0c 3f 2b 72 | +r.5o....7.V..?+r.5o....8.V..?+r |
43360 | ed 35 6f 00 01 cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c 41 2b 72 ed | .5o....9.V..@+r.5o....10.V..A+r. |
43380 | 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed | 5o....11.V..B+r.5o....12.V..C+r. |
433a0 | 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 | 5o.....features.:....56ba0c342b7 |
433c0 | 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 5a 07 f5 0e 7c be f8 3f 01 31 00 | 2ed356f000000......0.Z...|..?.1. |
433e0 | 07 2c f0 20 cd 38 d1 3f 00 00 02 73 6d 69 6c 65 73 00 27 00 00 00 43 43 28 4f 63 31 63 63 63 63 | .,...8.?...smiles.'...CC(Oc1cccc |
43400 | 28 63 31 29 4e 43 28 3d 4f 29 63 31 63 63 63 63 63 31 43 28 46 29 28 46 29 46 29 43 00 09 75 70 | (c1)NC(=O)c1ccccc1C(F)(F)F)C..up |
43420 | 64 61 74 65 64 5f 61 74 00 b3 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 8f b3 bf | dated_at.....R....created_at.... |
43440 | c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 12 | .R....default_fingerprint_size.. |
43460 | 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 37 48 31 36 46 33 4e | ....inchi.o...InChI=1S/C17H16F3N |
43480 | 4f 32 2f 63 31 2d 31 31 28 32 29 32 33 2d 31 33 2d 37 2d 35 2d 36 2d 31 32 28 31 30 2d 31 33 29 | O2/c1-11(2)23-13-7-5-6-12(10-13) |
434a0 | 32 31 2d 31 36 28 32 32 29 31 34 2d 38 2d 33 2d 34 2d 39 2d 31 35 28 31 34 29 31 37 28 31 38 2c | 21-16(22)14-8-3-4-9-15(14)17(18, |
434c0 | 31 39 29 32 30 2f 68 33 2d 31 31 48 2c 31 2d 32 48 33 2c 28 48 2c 32 31 2c 32 32 29 00 00 7d 03 | 19)20/h3-11H,1-2H3,(H,21,22)..}. |
434e0 | 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 27 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V..6+r.5o..'.warnings.... |
43500 | 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 01 00 00 02 30 | ...fingerprints......MP2D......0 |
43520 | 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 31 00 1c 00 00 00 38 3b 31 2d | .....1;1-1-8;2-1-28;..1.....8;1- |
43540 | 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 29 00 00 00 32 | 1-1;1-1-28;2-1-1;2-1-2;..2.)...2 |
43560 | 38 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 31 2d 39 3b | 8;1-1-1;1-1-2;1-1-8;2-1-1;2-1-9; |
43580 | 32 2d 31 2d 32 38 3b 00 02 33 00 22 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 32 2d 32 38 3b 32 2d | 2-1-28;..3."...2;1-1-9;1-2-28;2- |
435a0 | 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 34 00 10 00 00 00 39 3b 31 2d 31 2d 32 3b | 1-1;2-1-3;2-1-8;..4.....9;1-1-2; |
435c0 | 32 2d 32 2d 32 38 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 | 2-2-28;..5.#...28;1-1-2;1-1-3;2- |
435e0 | 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 33 3b 31 2d 32 2d 33 | 2-3;2-1-9;2-1-28;..6.....3;1-2-3 |
43600 | 3b 31 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 | ;1-1-28;2-1-2;2-2-3;..7.....3;1- |
43620 | 32 2d 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 | 2-3;2-2-3;2-1-28;..8.....3;1-2-3 |
43640 | 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 2d | ;2-2-3;2-1-14;..9.....3;1-2-3;1- |
43660 | 31 2d 31 34 3b 32 2d 32 2d 33 3b 00 02 31 30 00 10 00 00 00 31 34 3b 31 2d 31 2d 33 3b 32 2d 32 | 1-14;2-2-3;..10.....14;1-1-3;2-2 |
43680 | 2d 33 3b 00 02 31 31 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 | -3;..11.....1;1-1-28;2-1-2;2-1-8 |
436a0 | 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 | ;....dataset_ids......0.V..4+r.5 |
436c0 | 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 | o....1.V..:+r.5o....2.V..;+r.5o. |
436e0 | 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 | ...3.V..<+r.5o....4.V..=+r.5o... |
43700 | 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 37 | .5.V..>+r.5o....6.V..?+r.5o....7 |
43720 | 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 | .V..@+r.5o....8.V..A+r.5o....9.V |
43740 | ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 | ..B+r.5o....10.V..C+r.5o.....fea |
43760 | 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 | tures./....56ba0c342b72ed356f000 |
43780 | 30 30 30 00 10 00 00 00 01 30 00 61 71 0b 60 6e b3 a8 3f 00 00 02 73 6d 69 6c 65 73 00 19 00 00 | 000......0.aq.`n..?...smiles.... |
437a0 | 00 43 4f 4e 28 43 28 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 | .CON(C(=O)Nc1ccc(cc1)Br)C..updat |
437c0 | 65 64 5f 61 74 00 af e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 9c b3 bf c6 52 01 | ed_at.....R....created_at.....R. |
437e0 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0c 00 00 00 | ...default_fingerprint_size..... |
43800 | 02 69 6e 63 68 69 00 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 | .inchi.O...InChI=1S/C9H11BrN2O2/ |
43820 | 63 31 2d 31 32 28 31 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 | c1-12(14-2)9(13)11-8-5-3-7(10)4- |
43840 | 36 2d 38 2f 68 33 2d 36 48 2c 31 2d 32 48 33 2c 28 48 2c 31 31 2c 31 33 29 00 00 4d 04 00 00 07 | 6-8/h3-6H,1-2H3,(H,11,13)..M.... |
43860 | 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 28 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..6+r.5o..(.warnings....... |
43880 | 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 30 00 0f 00 | fingerprints.3....MP2D.(....0... |
438a0 | 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 3b | ..1;1-1-8;2-1-2;..1.....8;1-1-1; |
438c0 | 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 31 | 1-1-2;2-1-9;2-1-28;..2."...2;1-1 |
438e0 | 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 00 | -8;1-1-9;1-1-28;2-1-1;2-1-3;..3. |
43900 | 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 00 00 | ....9;1-1-2;2-1-8;2-1-28;..4.".. |
43920 | 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 38 3b 32 2d 31 2d | .28;1-1-2;1-1-3;2-2-3;2-1-8;2-1- |
43940 | 39 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 | 9;..5.....3;1-2-3;1-1-28;2-1-2;2 |
43960 | 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 |
43980 | 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 15 00 00 00 | 8;..7.....3;1-2-3;2-2-3;..8..... |
439a0 | 33 3b 31 2d 32 2d 33 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 | 3;1-2-3;2-2-3;2-1-8;..9.....3;1- |
439c0 | 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 30 00 1c 00 00 00 33 | 2-3;1-1-8;2-1-2;2-2-3;..10.....3 |
439e0 | 3b 31 2d 32 2d 33 3b 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 | ;1-2-3;2-2-3;2-1-8;2-1-28;..11." |
43a00 | 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 2d 31 | ...8;1-1-2;1-1-3;2-2-3;2-1-9;2-1 |
43a20 | 2d 32 38 3b 00 02 31 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 | -28;..12.....2;1-1-8;1-1-9;1-1-2 |
43a40 | 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 31 2d 31 3b 32 | 8;2-2-3;..13.....3;1-2-3;2-1-1;2 |
43a60 | 2d 32 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 32 2d | -2-3;..14.....3;1-1-1;1-2-3;2-2- |
43a80 | 33 3b 00 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 | 3;..15.....3;1-2-3;2-1-1;2-2-3;2 |
43aa0 | 2d 31 2d 32 38 3b 00 02 31 36 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 | -1-28;..16.....1;1-1-3;2-2-3;... |
43ac0 | 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 | .dataset_ids......0.V..4+r.5o... |
43ae0 | 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 | .1.V..:+r.5o....2.V..;+r.5o....3 |
43b00 | 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 | .V..<+r.5o....4.V..=+r.5o....5.V |
43b20 | ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c | ..>+r.5o....6.V..?+r.5o....7.V.. |
43b40 | 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b | @+r.5o....8.V..A+r.5o....9.V..B+ |
43b60 | 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 00 03 66 65 61 74 75 72 65 | r.5o....10.V..C+r.5o.....feature |
43b80 | 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 | s./....56ba0c342b72ed356f000000. |
43ba0 | 10 00 00 00 01 30 00 c6 4d 8d a7 b5 4f b5 3f 00 00 02 73 6d 69 6c 65 73 00 25 00 00 00 43 4f 43 | .....0..M...O.?...smiles.%...COC |
43bc0 | 28 3d 4f 29 4e 63 31 63 63 63 63 28 63 31 29 4f 43 28 3d 4f 29 4e 63 31 63 63 63 63 28 63 31 29 | (=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1) |
43be0 | 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 8d e6 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 | C..updated_at.....R....created_a |
43c00 | 74 00 a2 b3 bf c6 52 01 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....default_fingerprint_s |
43c20 | 69 7a 65 00 11 00 00 00 02 69 6e 63 68 69 00 74 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 36 48 | ize......inchi.t...InChI=1S/C16H |
43c40 | 31 36 4e 32 4f 34 2f 63 31 2d 31 31 2d 35 2d 33 2d 36 2d 31 32 28 39 2d 31 31 29 31 38 2d 31 36 | 16N2O4/c1-11-5-3-6-12(9-11)18-16 |
43c60 | 28 32 30 29 32 32 2d 31 34 2d 38 2d 34 2d 37 2d 31 33 28 31 30 2d 31 34 29 31 37 2d 31 35 28 31 | (20)22-14-8-4-7-13(10-14)17-15(1 |
43c80 | 39 29 32 31 2d 32 2f 68 33 2d 31 30 48 2c 31 2d 32 48 33 2c 28 48 2c 31 37 2c 31 39 29 28 48 2c | 9)21-2/h3-10H,1-2H3,(H,17,19)(H, |
43ca0 | 31 38 2c 32 30 29 00 00 74 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 29 04 77 61 | 18,20)..t...._id.V..6+r.5o..).wa |
43cc0 | 72 6e 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 | rnings.......fingerprints.|....M |
43ce0 | 50 32 44 00 71 02 00 00 02 30 00 16 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 | P2D.q....0.....8;1-1-1;2-1-1;2-1 |
43d00 | 2d 32 38 3b 00 02 31 00 29 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 32 38 | -28;..1.)...1;1-1-1;1-1-8;1-1-28 |
43d20 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 32 00 29 00 00 00 31 3b 31 2d | ;2-1-2;2-1-3;2-1-28;..2.)...1;1- |
43d40 | 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 38 3b 32 2d 31 | 1-1;1-1-28;2-1-1;2-1-2;2-1-8;2-1 |
43d60 | 2d 32 38 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 2d 31 2d 31 | -28;..3.#...28;1-2-1;1-1-2;2-1-1 |
43d80 | 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 34 00 1c 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d | ;2-1-9;2-1-28;..4.....2;1-1-9;1- |
43da0 | 32 2d 32 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 33 3b 00 02 35 00 10 00 00 00 39 3b 31 2d 31 2d 32 | 2-28;2-3-1;2-1-3;..5.....9;1-1-2 |
43dc0 | 3b 32 2d 32 2d 32 38 3b 00 02 36 00 3d 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 | ;2-2-28;..6.=...28;1-1-1;1-1-2;1 |
43de0 | 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 32 2d | -1-3;2-1-1;2-1-8;2-1-9;2-1-11;2- |
43e00 | 31 2d 31 38 3b 32 2d 31 2d 32 38 3b 00 02 37 00 31 00 00 00 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 | 1-18;2-1-28;..7.1...3;1-1-11;1-1 |
43e20 | 2d 31 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 33 3b 32 2d 31 | -18;1-1-28;2-1-1;2-1-2;2-1-3;2-1 |
43e40 | 2d 31 31 3b 00 02 38 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 | -11;..8.%...11;1-1-3;1-1-11;2-1- |
43e60 | 33 3b 32 2d 31 2d 31 38 3b 32 2d 31 2d 32 38 3b 00 02 39 00 24 00 00 00 31 31 3b 31 2d 31 2d 33 | 3;2-1-18;2-1-28;..9.$...11;1-1-3 |
43e80 | 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 38 3b 00 02 31 30 00 | ;1-1-11;2-1-1;2-1-3;2-1-18;..10. |
43ea0 | 2a 00 00 00 33 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 | *...3;1-1-1;1-1-11;1-1-18;2-3-1; |
43ec0 | 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 1e 00 00 00 31 38 3b 31 2d 32 2d 33 3b 32 | 2-1-3;2-1-11;..11.....18;1-2-3;2 |
43ee0 | 2d 31 2d 31 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 1d 00 00 00 31 3b 31 2d | -1-1;2-2-11;2-1-28;..12.....1;1- |
43f00 | 33 2d 31 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 15 00 00 | 3-1;1-1-3;2-1-11;2-1-18;..13.... |
43f20 | 00 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 16 00 00 00 31 3b | .1;1-1-1;2-2-1;2-1-3;..14.....1; |
43f40 | 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 | 1-1-28;2-1-1;2-1-2;....dataset_i |
43f60 | 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed | ds......0.V..4+r.5o....1.V..9+r. |
43f80 | 35 6f 00 01 c1 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f | 5o....2.V..;+r.5o....3.V..<+r.5o |
43fa0 | 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 | ....4.V..=+r.5o....5.V..>+r.5o.. |
43fc0 | ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 | ..6.V..?+r.5o....7.V..@+r.5o.... |
43fe0 | 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 | 8.V..A+r.5o....9.V..B+r.5o....10 |
44000 | 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 | .V..C+r.5o.....features./....56b |
44020 | 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 cd 13 79 | a0c342b72ed356f000000......0...y |
44040 | ef e4 f7 c8 3f 00 00 02 73 6d 69 6c 65 73 00 21 00 00 00 4f 43 31 43 4e 28 43 28 3d 4f 29 4e 31 | ....?...smiles.!...OC1CN(C(=O)N1 |
44060 | 63 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 | c1nnc(s1)C(C)(C)C)C..updated_at. |
44080 | 58 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a8 b3 bf c6 52 01 00 00 10 64 65 66 | X...R....created_at.....R....def |
440a0 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0f 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
440c0 | 00 56 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 36 4e 34 4f 32 53 2f 63 31 2d 31 30 28 | .V...InChI=1S/C10H16N4O2S/c1-10( |
440e0 | 32 2c 33 29 37 2d 31 31 2d 31 32 2d 38 28 31 37 2d 37 29 31 34 2d 36 28 31 35 29 35 2d 31 33 28 | 2,3)7-11-12-8(17-7)14-6(15)5-13( |
44100 | 34 29 39 28 31 34 29 31 36 2f 68 36 2c 31 35 48 2c 35 48 32 2c 31 2d 34 48 33 00 00 9f 05 00 00 | 4)9(14)16/h6,15H,5H2,1-4H3...... |
44120 | 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 2a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V..6+r.5o..*.warnings...... |
44140 | 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 0f | .fingerprints.s....MP2D.h....0.. |
44160 | 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 33 3b 00 02 31 00 16 00 00 00 38 3b 31 2d 31 2d 31 | ...1;1-1-8;2-1-3;..1.....8;1-1-1 |
44180 | 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 32 00 1c 00 00 00 33 3b 31 2d 31 2d 38 3b 31 2d | ;1-1-3;2-2-11;..2.....3;1-1-8;1- |
441a0 | 32 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 33 00 1d 00 00 00 31 31 3b 31 2d 32 2d | 2-11;2-1-1;2-2-3;..3.....11;1-2- |
441c0 | 33 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 31 3b 00 02 34 00 16 00 00 00 33 3b 31 | 3;2-1-1;2-1-8;2-2-11;..4.....3;1 |
441e0 | 2d 31 2d 31 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 35 00 10 00 00 00 31 3b 31 2d 31 2d | -1-1;1-2-11;2-2-3;..5.....1;1-1- |
44200 | 33 3b 32 2d 32 2d 31 31 3b 00 02 36 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b | 3;2-2-11;..6.....11;1-2-3;2-1-1; |
44220 | 32 2d 32 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 37 00 23 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 | 2-2-11;2-1-28;..7.#...3;1-2-11;1 |
44240 | 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 38 00 1e 00 00 00 | -1-28;2-1-1;2-1-2;2-2-3;..8..... |
44260 | 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 39 | 11;1-2-3;2-1-8;2-2-11;2-1-28;..9 |
44280 | 00 2a 00 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 39 3b | .*...28;1-1-1;1-1-2;1-1-3;2-1-9; |
442a0 | 32 2d 32 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 23 00 00 00 32 3b 31 2d 31 2d 39 3b 31 | 2-2-11;2-1-28;..10.#...2;1-1-9;1 |
442c0 | 2d 32 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 31 00 10 00 | -2-28;2-1-1;2-1-3;2-1-30;..11... |
442e0 | 00 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 | ..9;1-1-2;2-2-28;..12.$...28;1-1 |
44300 | 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 31 | -2;1-1-30;2-1-3;2-3-9;2-1-28;..1 |
44320 | 33 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 | 3.#...30;1-1-3;1-2-9;1-1-28;2-1- |
44340 | 32 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 | 2;2-2-3;..14.....9;1-1-30;2-1-3; |
44360 | 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 35 00 29 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 2-1-9;2-1-28;..15.)...3;1-2-3;1- |
44380 | 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 02 | 1-30;2-1-2;2-2-3;2-2-9;2-1-28;.. |
443a0 | 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 |
443c0 | 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 31 2d | .....3;1-2-3;2-2-3;..18.....3;1- |
443e0 | 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 39 00 28 00 00 00 33 3b 31 2d 31 2d 32 | 2-3;2-1-2;2-2-3;..19.(...3;1-1-2 |
44400 | 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 31 2d 33 30 3b | ;1-2-3;2-2-3;2-1-8;2-1-9;2-1-30; |
44420 | 00 02 32 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 | ..20.!...2;1-1-3;1-1-8;1-1-9;2-1 |
44440 | 2d 31 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 33 3b | -1;2-2-3;..21.....9;1-1-2;2-1-3; |
44460 | 32 2d 31 2d 38 3b 00 02 32 32 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 | 2-1-8;..22.....8;1-1-1;1-1-2;2-1 |
44480 | 2d 33 3b 32 2d 31 2d 39 3b 00 02 32 33 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b | -3;2-1-9;..23.....1;1-1-8;2-1-2; |
444a0 | 00 02 32 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 33 3b 00 00 | ..24.....1;1-1-28;2-1-2;2-1-3;.. |
444c0 | 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 | ..dataset_ids......0.V..4+r.5o.. |
444e0 | 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 | ..1.V..:+r.5o....2.V..;+r.5o.... |
44500 | 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 | 3.V..<+r.5o....4.V..=+r.5o....5. |
44520 | 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba | V..>+r.5o....6.V..?+r.5o....7.V. |
44540 | 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 | .@+r.5o....8.V..A+r.5o....9.V..B |
44560 | 2b 72 ed 35 6f 00 01 d1 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 | +r.5o....10.V..C+r.5o.....featur |
44580 | 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 | es./....56ba0c342b72ed356f000000 |
445a0 | 00 10 00 00 00 01 30 00 49 8b 75 b8 c0 2f a0 3f 00 00 02 73 6d 69 6c 65 73 00 32 00 00 00 43 4f | ......0.I.u../.?...smiles.2...CO |
445c0 | 63 31 6e 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 | c1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1 |
445e0 | 63 63 63 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 68 ea bf c6 | ccccc1C(=O)OC)C..updated_at.h... |
44600 | 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 b3 b3 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 | R....created_at.....R....default |
44620 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 19 00 00 00 02 69 6e 63 68 69 00 79 00 00 | _fingerprint_size......inchi.y.. |
44640 | 00 49 6e 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 | .InChI=1S/C15H17N5O6S/c1-9-16-13 |
44660 | 28 31 38 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 | (18-14(17-9)26-4)20(2)15(22)19-2 |
44680 | 37 28 32 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 | 7(23,24)11-8-6-5-7-10(11)12(21)2 |
446a0 | 35 2d 33 2f 68 35 2d 38 48 2c 31 2d 34 48 33 2c 28 48 2c 31 39 2c 32 32 29 00 00 6a 03 00 00 07 | 5-3/h5-8H,1-4H3,(H,19,22)..j.... |
446c0 | 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 2b 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..6+r.5o..+.warnings....... |
446e0 | 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 11 00 | fingerprints.x....MP2D.m....0... |
44700 | 00 00 31 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 | ..15;1-1-3;2-2-11;..1.....3;1-2- |
44720 | 31 31 3b 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 | 11;1-1-15;2-2-3;..2.....11;1-2-3 |
44740 | 3b 32 2d 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 | ;2-2-11;2-1-15;2-1-19;..3.....3; |
44760 | 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 33 2d 33 3b 00 02 34 00 18 00 00 00 31 31 3b 31 | 1-2-11;1-1-19;2-3-3;..4.....11;1 |
44780 | 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 32 2d 32 2d 31 35 3b 00 02 35 00 17 00 00 00 31 39 3b 31 2d | -2-3;2-2-11;2-2-15;..5.....19;1- |
447a0 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 36 00 1d 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-2-3;2-2-11;..6.....3;1-2-3 |
447c0 | 3b 31 2d 31 2d 31 39 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 37 00 16 00 00 00 33 3b 31 | ;1-1-19;2-3-3;2-1-15;..7.....3;1 |
447e0 | 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 33 3b 31 2d 32 2d | -2-3;2-2-3;2-1-19;..8.....3;1-2- |
44800 | 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- |
44820 | 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 2d 32 | 1-15;..10.....3;1-2-3;1-1-15;2-2 |
44840 | 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d | -3;2-1-19;..11.....15;1-1-3;2-2- |
44860 | 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed | 3;....dataset_ids......0.V..4+r. |
44880 | 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f | 5o....1.V..:+r.5o....2.V..;+r.5o |
448a0 | 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 | ....3.V..<+r.5o....4.V..=+r.5o.. |
448c0 | c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 | ..5.V..>+r.5o....6.V..?+r.5o.... |
448e0 | 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 | 7.V..@+r.5o....8.V..A+r.5o....9. |
44900 | 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 00 03 66 65 | V..B+r.5o....10.V..C+r.5o.....fe |
44920 | 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 | atures./....56ba0c342b72ed356f00 |
44940 | 30 30 30 30 00 10 00 00 00 01 30 00 64 78 f3 51 a6 18 71 3f 00 00 02 73 6d 69 6c 65 73 00 1c 00 | 0000......0.dx.Q..q?...smiles... |
44960 | 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 09 75 | ..Clc1nc(nc(n1)Cl)Nc1ccccc1Cl..u |
44980 | 70 64 61 74 65 64 5f 61 74 00 69 e6 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ba b3 | pdated_at.i...R....created_at... |
449a0 | bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | ..R....default_fingerprint_size. |
449c0 | 0c 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 33 4e | .....inchi.U...InChI=1S/C9H5Cl3N |
449e0 | 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 31 31 | 4/c10-5-3-1-2-4-6(5)13-9-15-7(11 |
44a00 | 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 35 2c | )14-8(12)16-9/h1-4H,(H,13,14,15, |
44a20 | 31 36 29 00 00 f1 03 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 2c 04 77 61 72 6e 69 | 16)......._id.V..6+r.5o..,.warni |
44a40 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 fd 01 00 00 04 4d 50 32 44 | ngs.......fingerprints......MP2D |
44a60 | 00 f2 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 02 31 00 1d | ......0.....1;1-1-8;2-1-12;..1.. |
44a80 | 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 3b 00 | ...8;1-1-1;1-1-12;2-2-8;2-1-18;. |
44aa0 | 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 2d 31 | .2.....12;1-3-8;1-1-18;2-2-1;2-1 |
44ac0 | 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 00 23 | -3;..3.....18;1-1-12;2-3-8;..4.# |
44ae0 | 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 32 2d | ...8;1-1-3;1-1-12;2-2-3;2-2-8;2- |
44b00 | 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 2d 33 | 1-18;..5.....3;1-2-3;1-1-8;2-2-3 |
44b20 | 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 32 2d | ;2-1-12;..6.....3;1-2-3;2-2-3;2- |
44b40 | 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 39 | 1-8;..7.....3;1-2-3;2-2-3;2-1-19 |
44b60 | 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 32 2d | ;..8.)...3;1-2-3;1-1-19;2-1-1;2- |
44b80 | 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 2d 31 | 2-3;2-1-9;2-1-32;..9.....3;1-1-1 |
44ba0 | 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 3b 31 | ;1-2-3;2-2-3;2-1-19;..10.....3;1 |
44bc0 | 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 00 00 | -2-3;2-1-1;2-2-3;2-1-8;..11..... |
44be0 | 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 33 3b | 1;1-1-3;2-2-3;..12.....19;1-1-3; |
44c00 | 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 31 2d | 1-1-9;1-1-32;2-2-3;..13.....9;1- |
44c20 | 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 31 2d | 1-19;2-1-3;2-1-32;..14.....32;1- |
44c40 | 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 | 1-19;2-1-3;2-1-9;....dataset_ids |
44c60 | 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f | ......0.V..4+r.5o....1.V..:+r.5o |
44c80 | 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 | ....2.V..;+r.5o....3.V..<+r.5o.. |
44ca0 | c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 | ..4.V..=+r.5o....5.V..>+r.5o.... |
44cc0 | 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 | 6.V..?+r.5o....7.V..@+r.5o....8. |
44ce0 | 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 | V..A+r.5o....9.V..B+r.5o....10.V |
44d00 | ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 | ..C+r.5o.....features./....56ba0 |
44d20 | 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 dc d9 29 df 63 | c342b72ed356f000000......0...).c |
44d40 | 2f 5b 3f 00 00 02 73 6d 69 6c 65 73 00 26 00 00 00 43 4f 50 28 3d 53 29 28 4f 63 31 63 63 63 28 | /[?...smiles.&...COP(=S)(Oc1ccc( |
44d60 | 63 28 63 31 29 43 29 5b 4e 2b 5d 28 3d 4f 29 5b 4f 2d 5d 29 4f 43 00 09 75 70 64 61 74 65 64 5f | c(c1)C)[N+](=O)[O-])OC..updated_ |
44d80 | 61 74 00 3e ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c1 b3 bf c6 52 01 00 00 10 | at.>...R....created_at.....R.... |
44da0 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0f 00 00 00 02 69 6e | default_fingerprint_size......in |
44dc0 | 63 68 69 00 4d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 32 4e 4f 35 50 53 2f 63 31 2d 37 | chi.M...InChI=1S/C9H12NO5PS/c1-7 |
44de0 | 2d 36 2d 38 28 34 2d 35 2d 39 28 37 29 31 30 28 31 31 29 31 32 29 31 35 2d 31 36 28 31 37 2c 31 | -6-8(4-5-9(7)10(11)12)15-16(17,1 |
44e00 | 33 2d 32 29 31 34 2d 33 2f 68 34 2d 36 48 2c 31 2d 33 48 33 00 00 38 03 00 00 07 5f 69 64 00 56 | 3-2)14-3/h4-6H,1-3H3..8...._id.V |
44e20 | ba 0c 36 2b 72 ed 35 6f 00 01 2d 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..6+r.5o..-.warnings.......finge |
44e40 | 72 70 72 69 6e 74 73 00 56 01 00 00 04 4d 50 32 44 00 4b 01 00 00 02 30 00 0f 00 00 00 31 3b 31 | rprints.V....MP2D.K....0.....1;1 |
44e60 | 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 |
44e80 | 3b 32 2d 32 2d 33 3b 00 02 32 00 28 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 |
44ea0 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 33 00 1c 00 00 00 33 3b | -1;2-1-2;2-2-3;2-1-15;..3.....3; |
44ec0 | 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 34 00 10 00 00 | 1-2-3;1-1-15;2-2-3;2-1-8;..4.... |
44ee0 | 00 31 35 3b 31 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 | .15;1-1-3;2-2-3;..5.....3;1-2-3; |
44f00 | 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 3b 31 2d 31 | 2-2-3;2-1-15;..6.....3;1-2-3;1-1 |
44f20 | 2d 31 35 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 37 00 29 00 00 00 33 3b 31 2d 31 2d 32 3b | -15;2-1-2;2-2-3;..7.)...3;1-1-2; |
44f40 | 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 32 2d 32 2d 33 32 3b | 1-2-3;2-2-3;2-1-8;2-1-15;2-2-32; |
44f60 | 00 02 38 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 39 | ..8.....2;1-1-3;1-2-32;2-2-3;..9 |
44f80 | 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 00 04 64 | .....32;1-1-2;2-1-3;2-1-32;....d |
44fa0 | 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 | ataset_ids......0.V..4+r.5o....1 |
44fc0 | 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 56 | .V..:+r.5o....2.V..:+r.5o....3.V |
44fe0 | ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c | ..<+r.5o....4.V..=+r.5o....5.V.. |
45000 | 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b | >+r.5o....6.V..?+r.5o....7.V..@+ |
45020 | 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed | r.5o....8.V..A+r.5o....9.V..B+r. |
45040 | 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 | 5o....10.V..C+r.5o.....features. |
45060 | 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 | /....56ba0c342b72ed356f000000... |
45080 | 00 00 01 30 00 61 32 93 58 15 a6 e0 3f 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 43 4f 63 31 63 | ...0.a2.X...?...smiles.....COc1c |
450a0 | 28 43 6c 29 63 63 63 28 63 31 43 28 3d 4f 29 4f 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 | (Cl)ccc(c1C(=O)O)Cl..updated_at. |
450c0 | b5 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c7 b3 bf c6 52 01 00 00 10 64 65 66 | ....R....created_at.....R....def |
450e0 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0a 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
45100 | 00 48 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 36 43 6c 32 4f 33 2f 63 31 2d 31 33 2d 37 2d | .H...InChI=1S/C8H6Cl2O3/c1-13-7- |
45120 | 35 28 31 30 29 33 2d 32 2d 34 28 39 29 36 28 37 29 38 28 31 31 29 31 32 2f 68 32 2d 33 48 2c 31 | 5(10)3-2-4(9)6(7)8(11)12/h2-3H,1 |
45140 | 48 33 2c 28 48 2c 31 31 2c 31 32 29 00 00 cc 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f | H3,(H,11,12)......._id.V..6+r.5o |
45160 | 00 01 2e 04 77 61 72 6e 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. |
45180 | 96 02 00 00 04 4d 50 32 44 00 8b 02 00 00 02 30 00 0f 00 00 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 | .....MP2D......0.....7;1-1-4;2-1 |
451a0 | 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 33 3b 32 | -1;..1.....4;1-1-1;1-1-7;2-1-3;2 |
451c0 | 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 31 2d 38 | -1-8;..2.'...1;1-1-3;1-1-4;1-1-8 |
451e0 | 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 31 2d 31 | ;2-1-2;2-2-3;2-1-7;..3.!...3;1-1 |
45200 | 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 34 00 15 | -1;1-2-3;2-2-3;2-1-4;2-1-8;..4.. |
45220 | 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 33 | ...3;1-2-3;2-1-1;2-2-3;..5.....3 |
45240 | 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 32 2d 32 | ;1-2-3;2-2-3;..6.....3;1-2-3;2-2 |
45260 | 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 3b 32 | -3;2-1-8;..7.....3;1-2-3;1-1-8;2 |
45280 | 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 32 2d 33 | -3-3;..8.....3;1-2-3;2-1-1;2-2-3 |
452a0 | 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 00 02 31 | ;2-1-8;..9.....8;1-2-3;2-4-3;..1 |
452c0 | 30 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 | 0.'...8;1-1-1;1-1-2;2-1-1;2-1-3; |
452e0 | 32 2d 31 2d 34 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 | 2-1-4;2-1-9;..11.....2;1-1-1;1-1 |
45300 | 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 3b 31 2d 31 2d 32 3b | -8;1-1-9;2-3-1;..12.....9;1-1-2; |
45320 | 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 32 2d 31 3b 31 2d 31 | 2-1-1;2-1-8;..13.'...1;1-2-1;1-1 |
45340 | 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 02 31 34 00 | -2;2-4-1;2-1-2;2-1-8;2-1-9;..14. |
45360 | 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 32 2d 32 3b 00 02 | ....1;1-2-1;1-1-2;2-4-1;2-2-2;.. |
45380 | 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 32 3b 00 02 31 36 00 | 15.....1;1-4-1;2-2-1;2-2-2;..16. |
453a0 | 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 37 00 1c 00 00 00 32 3b 31 2d 31 | ....1;1-1-1;2-3-1;..17.....2;1-1 |
453c0 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 32 2d 31 34 3b 00 02 31 38 00 16 00 00 00 32 | -1;1-1-2;2-2-1;2-2-14;..18.....2 |
453e0 | 3b 31 2d 31 2d 32 3b 31 2d 32 2d 31 34 3b 32 2d 31 2d 31 3b 00 02 31 39 00 17 00 00 00 31 34 3b | ;1-1-2;1-2-14;2-1-1;..19.....14; |
45400 | 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 34 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 | 1-1-2;2-1-2;2-1-14;....dataset_i |
45420 | 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed | ds......0.V..4+r.5o....1.V..:+r. |
45440 | 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f | 5o....2.V..;+r.5o....3.V..<+r.5o |
45460 | 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 | ....4.V..<+r.5o....5.V..>+r.5o.. |
45480 | ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 | ..6.V..?+r.5o....7.V..@+r.5o.... |
454a0 | 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 | 8.V..A+r.5o....9.V..B+r.5o....10 |
454c0 | 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 | .V..C+r.5o.....features./....56b |
454e0 | 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 31 84 48 | a0c342b72ed356f000000......0.1.H |
45500 | 85 ec 44 74 3f 00 00 02 73 6d 69 6c 65 73 00 34 00 00 00 4e 23 43 43 28 63 31 63 63 63 63 28 63 | ..Dt?...smiles.4...N#CC(c1cccc(c |
45520 | 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 29 43 29 43 3d 43 | 1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C |
45540 | 28 42 72 29 42 72 00 09 75 70 64 61 74 65 64 5f 61 74 00 2a e9 bf c6 52 01 00 00 09 63 72 65 61 | (Br)Br..updated_at.*...R....crea |
45560 | 74 65 64 5f 61 74 00 ce b3 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at.....R....default_fingerpr |
45580 | 69 6e 74 5f 73 69 7a 65 00 14 00 00 00 02 69 6e 63 68 69 00 81 00 00 00 49 6e 43 68 49 3d 31 53 | int_size......inchi.....InChI=1S |
455a0 | 2f 43 32 32 48 31 39 42 72 32 4e 4f 33 2f 63 31 2d 32 32 28 32 29 31 37 28 31 32 2d 31 39 28 32 | /C22H19Br2NO3/c1-22(2)17(12-19(2 |
455c0 | 33 29 32 34 29 32 30 28 32 32 29 32 31 28 32 36 29 32 38 2d 31 38 28 31 33 2d 32 35 29 31 34 2d | 3)24)20(22)21(26)28-18(13-25)14- |
455e0 | 37 2d 36 2d 31 30 2d 31 36 28 31 31 2d 31 34 29 32 37 2d 31 35 2d 38 2d 34 2d 33 2d 35 2d 39 2d | 7-6-10-16(11-14)27-15-8-4-3-5-9- |
45600 | 31 35 2f 68 33 2d 31 32 2c 31 37 2d 31 38 2c 32 30 48 2c 31 2d 32 48 33 00 00 f6 03 00 00 07 5f | 15/h3-12,17-18,20H,1-2H3......._ |
45620 | 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 2f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..6+r.5o../.warnings.......f |
45640 | 69 6e 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 10 00 00 | ingerprints......MP2D......0.... |
45660 | 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 2d 32 2d 33 3b | .16;1-1-3;2-2-3;..1.....3;1-2-3; |
45680 | 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 33 3b 32 2d 32 | 1-1-16;2-2-3;..2.....3;1-2-3;2-2 |
456a0 | 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 2d 31 2d 31 3b | -3;2-1-16;..3.....3;1-2-3;2-1-1; |
456c0 | 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 33 3b 32 2d 34 2d | 2-2-3;..4.....3;1-1-1;1-2-3;2-4- |
456e0 | 33 3b 32 2d 31 2d 38 3b 00 02 35 00 15 00 00 00 31 3b 31 2d 33 2d 33 3b 31 2d 31 2d 38 3b 32 2d | 3;2-1-8;..5.....1;1-3-3;1-1-8;2- |
45700 | 36 2d 33 3b 00 02 36 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b | 6-3;..6."...3;1-1-1;1-2-3;2-4-3; |
45720 | 32 2d 31 2d 38 3b 32 2d 31 2d 31 35 3b 00 02 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 2-1-8;2-1-15;..7.....3;1-2-3;2-2 |
45740 | 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 35 3b | -3;..8.....3;1-2-3;2-2-3;2-1-15; |
45760 | 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 31 3b 32 2d 32 | ..9.....3;1-2-3;1-1-15;2-1-1;2-2 |
45780 | 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 00 | -3;..10.....15;1-1-3;2-2-3;..11. |
457a0 | 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 32 2d | "...3;1-1-1;1-2-3;2-2-3;2-1-8;2- |
457c0 | 32 2d 31 31 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 32 2d 31 | 2-11;..12.....3;1-1-3;1-1-11;2-1 |
457e0 | 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 33 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 | -1;2-2-3;..13.....11;1-2-3;2-1-3 |
45800 | 3b 32 2d 31 2d 31 31 3b 00 02 31 34 00 10 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d 33 3b | ;2-1-11;..14.....3;1-2-11;2-2-3; |
45820 | 00 02 31 35 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 00 00 04 64 61 74 61 73 | ..15.....8;1-1-1;2-3-3;....datas |
45840 | 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c | et_ids......0.V..4+r.5o....1.V.. |
45860 | 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b | :+r.5o....2.V..;+r.5o....3.V..<+ |
45880 | 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed | r.5o....4.V..=+r.5o....5.V..>+r. |
458a0 | 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f | 5o....6.V..?+r.5o....7.V..@+r.5o |
458c0 | 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 | ....8.V..A+r.5o....9.V..B+r.5o.. |
458e0 | d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 | ..10.V..C+r.5o.....features./... |
45900 | 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 | .56ba0c342b72ed356f000000......0 |
45920 | 00 90 bf 3d 58 6f 44 80 3f 00 00 02 73 6d 69 6c 65 73 00 24 00 00 00 46 63 31 63 63 63 28 63 63 | ...=XoD.?...smiles.$...Fc1ccc(cc |
45940 | 31 29 43 28 63 31 63 63 63 63 63 31 43 6c 29 28 63 31 63 6e 63 6e 63 31 29 4f 00 09 75 70 64 61 | 1)C(c1ccccc1Cl)(c1cncnc1)O..upda |
45960 | 74 65 64 5f 61 74 00 2b ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d5 b3 bf c6 52 | ted_at.+...R....created_at.....R |
45980 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 10 00 00 | ....default_fingerprint_size.... |
459a0 | 00 02 69 6e 63 68 69 00 63 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 37 48 31 32 43 6c 46 4e 32 | ..inchi.c...InChI=1S/C17H12ClFN2 |
459c0 | 4f 2f 63 31 38 2d 31 36 2d 34 2d 32 2d 31 2d 33 2d 31 35 28 31 36 29 31 37 28 32 32 2c 31 33 2d | O/c18-16-4-2-1-3-15(16)17(22,13- |
459e0 | 39 2d 32 30 2d 31 31 2d 32 31 2d 31 30 2d 31 33 29 31 32 2d 35 2d 37 2d 31 34 28 31 39 29 38 2d | 9-20-11-21-10-13)12-5-7-14(19)8- |
45a00 | 36 2d 31 32 2f 68 31 2d 31 31 2c 32 32 48 00 00 e4 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed | 6-12/h1-11,22H......._id.V..6+r. |
45a20 | 35 6f 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 | 5o..0.warnings.......fingerprint |
45a40 | 73 00 9b 02 00 00 04 4d 50 32 44 00 90 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 |
45a60 | 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 16 | -1-1;..1.....1;1-2-1;2-1-1;..2.. |
45a80 | 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 33 00 1c 00 00 00 | ...1;1-2-1;2-1-1;2-1-28;..3..... |
45aa0 | 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 34 00 23 | 1;1-1-1;1-1-28;2-1-1;2-1-2;..4.# |
45ac0 | 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 39 3b 32 2d | ...28;1-1-1;1-1-2;2-1-1;2-1-9;2- |
45ae0 | 31 2d 31 31 3b 00 02 35 00 23 00 00 00 32 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d | 1-11;..5.#...2;1-1-9;1-1-11;1-1- |
45b00 | 32 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 17 00 00 00 39 3b 31 2d 31 2d 32 3b 32 | 28;2-1-1;2-2-3;..6.....9;1-1-2;2 |
45b20 | 2d 31 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 37 00 2a 00 00 00 31 31 3b 31 2d 31 2d 32 3b 31 2d | -1-11;2-1-28;..7.*...11;1-1-2;1- |
45b40 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 32 2d 32 2d 32 38 3b 00 02 | 2-3;2-2-3;2-1-9;2-1-11;2-2-28;.. |
45b60 | 38 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 32 3b 32 2d 32 2d | 8.....3;1-2-11;1-1-28;2-2-2;2-2- |
45b80 | 33 3b 00 02 39 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 | 3;..9.#...28;1-1-2;1-1-3;2-1-8;2 |
45ba0 | 2d 31 2d 39 3b 32 2d 32 2d 31 31 3b 00 02 31 30 00 22 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d 31 | -1-9;2-2-11;..10."...2;1-1-8;1-1 |
45bc0 | 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 00 39 | -9;1-1-28;2-1-1;2-1-3;..11.....9 |
45be0 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 1c 00 00 00 38 3b 31 | ;1-1-2;2-1-8;2-1-28;..12.....8;1 |
45c00 | 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 33 00 0f 00 00 | -1-1;1-1-2;2-1-9;2-1-28;..13.... |
45c20 | 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 31 34 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 | .1;1-1-8;2-1-2;..14.....11;1-2-3 |
45c40 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 31 35 00 1d 00 00 00 33 3b | ;2-2-3;2-1-11;2-1-28;..15.....3; |
45c60 | 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 36 00 23 | 1-2-3;1-1-11;2-3-3;2-1-11;..16.# |
45c80 | 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 2d | ...3;1-2-3;1-1-11;2-1-2;2-3-3;2- |
45ca0 | 31 2d 31 31 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 | 1-11;..17.....3;1-2-3;2-2-3;2-1- |
45cc0 | 31 31 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 00 00 04 64 61 | 11;..18.....3;1-2-3;2-2-3;....da |
45ce0 | 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 | taset_ids......0.V..4+r.5o....1. |
45d00 | 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba | V..:+r.5o....2.V..;+r.5o....3.V. |
45d20 | 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3d | .<+r.5o....4.V..<+r.5o....5.V..= |
45d40 | 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 | +r.5o....6.V..>+r.5o....7.V..?+r |
45d60 | ed 35 6f 00 01 cc 07 38 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 39 00 56 ba 0c 40 2b 72 ed 35 | .5o....8.V..@+r.5o....9.V..@+r.5 |
45d80 | 6f 00 01 ce 07 31 30 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 | o....10.V..A+r.5o....11.V..B+r.5 |
45da0 | 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a | o....12.V..C+r.5o.....features.: |
45dc0 | 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 | ....56ba0c342b72ed356f000000.... |
45de0 | 00 01 30 00 e1 e0 e3 3b fe 59 d9 3f 01 31 00 4e e9 b4 1f 57 8e eb 3f 00 00 02 73 6d 69 6c 65 73 | ..0....;.Y.?.1.N...W..?...smiles |
45e00 | 00 22 00 00 00 43 43 43 43 4e 43 28 3d 4f 29 6e 31 63 28 4e 43 28 3d 4f 29 4f 43 29 6e 63 32 63 | ."...CCCCNC(=O)n1c(NC(=O)OC)nc2c |
45e20 | 31 63 63 63 63 32 00 09 75 70 64 61 74 65 64 5f 61 74 00 eb e9 bf c6 52 01 00 00 09 63 72 65 61 | 1cccc2..updated_at.....R....crea |
45e40 | 74 65 64 5f 61 74 00 dc b3 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at.....R....default_fingerpr |
45e60 | 69 6e 74 5f 73 69 7a 65 00 13 00 00 00 02 69 6e 63 68 69 00 7b 00 00 00 49 6e 43 68 49 3d 31 53 | int_size......inchi.{...InChI=1S |
45e80 | 2f 43 31 34 48 31 38 4e 34 4f 33 2f 63 31 2d 33 2d 34 2d 39 2d 31 35 2d 31 33 28 31 39 29 31 38 | /C14H18N4O3/c1-3-4-9-15-13(19)18 |
45ea0 | 2d 31 31 2d 38 2d 36 2d 35 2d 37 2d 31 30 28 31 31 29 31 36 2d 31 32 28 31 38 29 31 37 2d 31 34 | -11-8-6-5-7-10(11)16-12(18)17-14 |
45ec0 | 28 32 30 29 32 31 2d 32 2f 68 35 2d 38 48 2c 33 2d 34 2c 39 48 32 2c 31 2d 32 48 33 2c 28 48 2c | (20)21-2/h5-8H,3-4,9H2,1-2H3,(H, |
45ee0 | 31 35 2c 31 39 29 28 48 2c 31 36 2c 31 37 2c 32 30 29 00 00 ce 05 00 00 07 5f 69 64 00 56 ba 0c | 15,19)(H,16,17,20)......._id.V.. |
45f00 | 36 2b 72 ed 35 6f 00 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 | 6+r.5o..1.warnings.......fingerp |
45f20 | 72 69 6e 74 73 00 93 03 00 00 04 4d 50 32 44 00 88 03 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 | rints......MP2D......0.....1;1-1 |
45f40 | 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 |
45f60 | 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 32 2d 31 | -1-2;..2.....8;1-1-1;1-1-2;2-2-1 |
45f80 | 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 3b 31 2d 31 | ;2-1-9;..3.!...2;1-1-1;1-1-8;1-1 |
45fa0 | 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 | -9;2-1-1;2-1-8;..4.....9;1-1-2;2 |
45fc0 | 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 35 00 21 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 | -1-1;2-1-8;..5.!...1;1-1-2;1-1-8 |
45fe0 | 3b 32 2d 31 2d 32 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 | ;2-1-2;2-1-8;2-1-9;..6.!...8;1-1 |
46000 | 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 39 3b 00 02 37 00 21 | -1;1-1-2;2-1-2;2-1-3;2-1-9;..7.! |
46020 | 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 |
46040 | 2d 33 3b 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 | -3;..8.....9;1-1-2;2-1-3;2-1-8;. |
46060 | 02 39 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 | .9.(...3;1-1-2;1-2-3;2-2-3;2-1-8 |
46080 | 3b 32 2d 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 | ;2-1-9;2-1-19;..10.....3;1-2-3;2 |
460a0 | 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 00 33 3b 31 2d 32 2d | -1-2;2-2-3;2-1-8;..11.....3;1-2- |
460c0 | 33 3b 31 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 | 3;1-1-8;2-3-3;..12.....3;1-2-3;2 |
460e0 | 2d 32 2d 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 | -2-3;2-1-8;..13.....3;1-2-3;2-2- |
46100 | 33 3b 32 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 | 3;2-1-19;..14.)...3;1-2-3;1-1-19 |
46120 | 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 35 00 1d | ;2-1-2;2-2-3;2-1-9;2-1-32;..15.. |
46140 | 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;. |
46160 | 02 31 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 00 02 | .16.....9;1-1-19;2-1-3;2-1-32;.. |
46180 | 31 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 31 | 17.....32;1-1-19;2-1-3;2-1-9;..1 |
461a0 | 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 31 | 8.....8;1-2-3;2-4-3;..19.....3;1 |
461c0 | 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 15 00 00 | -2-3;1-1-8;2-3-3;2-1-15;..20.... |
461e0 | 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 31 00 1c 00 00 00 33 3b | .3;1-2-3;2-1-1;2-2-3;..21.....3; |
46200 | 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 32 32 00 1c 00 | 1-1-1;1-2-3;2-2-3;2-3-16;..22... |
46220 | 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 32 | ..3;1-2-3;2-1-1;2-2-3;2-1-15;..2 |
46240 | 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 38 | 3.....3;1-2-3;1-1-15;2-2-3;2-1-8 |
46260 | 3b 00 02 32 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 16 00 | ;..24.....15;1-1-3;2-2-3;..25... |
46280 | 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 36 00 17 00 00 00 | ..1;1-1-3;1-3-16;2-2-3;..26..... |
462a0 | 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 04 64 61 74 61 73 65 | 16;1-1-1;2-1-3;2-2-16;....datase |
462c0 | 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a | t_ids......0.V..4+r.5o....1.V..: |
462e0 | 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 | +r.5o....2.V..;+r.5o....3.V..<+r |
46300 | ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 | .5o....4.V..=+r.5o....5.V..>+r.5 |
46320 | 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 | o....6.V..?+r.5o....7.V..@+r.5o. |
46340 | 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 | ...8.V..A+r.5o....9.V..B+r.5o... |
46360 | 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 | .10.V..C+r.5o.....features./.... |
46380 | 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 | 56ba0c342b72ed356f000000......0. |
463a0 | 12 66 cb 24 6d 96 ac 3f 00 00 02 73 6d 69 6c 65 73 00 3b 00 00 00 43 43 4f 43 28 3d 4f 29 43 4f | .f.$m..?...smiles.;...CCOC(=O)CO |
463c0 | 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 4f 63 31 63 63 | C(=O)c1cc(ccc1[N+](=O)[O-])Oc1cc |
463e0 | 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 29 ea bf | c(cc1Cl)C(F)(F)F..updated_at.).. |
46400 | c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e3 b3 bf c6 52 01 00 00 10 64 65 66 61 75 6c | .R....created_at.....R....defaul |
46420 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 1b 00 00 00 02 69 6e 63 68 69 00 7f 00 | t_fingerprint_size......inchi... |
46440 | 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 38 48 31 33 43 6c 46 33 4e 4f 37 2f 63 31 2d 32 2d 32 38 | ..InChI=1S/C18H13ClF3NO7/c1-2-28 |
46460 | 2d 31 36 28 32 34 29 39 2d 32 39 2d 31 37 28 32 35 29 31 32 2d 38 2d 31 31 28 34 2d 35 2d 31 34 | -16(24)9-29-17(25)12-8-11(4-5-14 |
46480 | 28 31 32 29 32 33 28 32 36 29 32 37 29 33 30 2d 31 35 2d 36 2d 33 2d 31 30 28 37 2d 31 33 28 31 | (12)23(26)27)30-15-6-3-10(7-13(1 |
464a0 | 35 29 31 39 29 31 38 28 32 30 2c 32 31 29 32 32 2f 68 33 2d 38 48 2c 32 2c 39 48 32 2c 31 48 33 | 5)19)18(20,21)22/h3-8H,2,9H2,1H3 |
464c0 | 00 00 43 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 32 04 77 61 72 6e 69 6e 67 73 | ..C...._id.V..6+r.5o..2.warnings |
464e0 | 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 50 32 44 00 17 02 | .......fingerprints."....MP2D... |
46500 | 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 22 00 00 00 31 | ...0.....8;1-1-1;2-2-1;..1."...1 |
46520 | 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b | ;1-2-1;1-1-8;2-3-1;2-1-8;2-1-11; |
46540 | 00 02 32 00 15 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 00 | ..2.....1;1-4-1;2-1-1;2-1-8;..3. |
46560 | 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 34 00 2f 00 00 00 31 3b 31 2d 31 2d | ....1;1-1-1;2-3-1;..4./...1;1-1- |
46580 | 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 31 2d 38 | 1;1-1-8;1-1-11;2-1-1;2-2-3;2-1-8 |
465a0 | 3b 32 2d 31 2d 31 31 3b 00 02 35 00 30 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 | ;2-1-11;..5.0...11;1-1-1;1-1-3;1 |
465c0 | 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 31 3b 00 | -1-11;2-1-1;2-1-3;2-1-8;2-1-11;. |
465e0 | 02 36 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 | .6.....3;1-2-11;2-1-1;2-1-3;2-1- |
46600 | 31 31 3b 00 02 37 00 11 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 38 00 17 | 11;..7.....11;1-2-3;2-2-11;..8.. |
46620 | 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 39 00 24 00 00 | ...3;1-2-11;2-1-3;2-1-11;..9.$.. |
46640 | 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 |
46660 | 2d 31 31 3b 00 02 31 30 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 | -11;..10."...8;1-1-1;1-1-3;2-1-1 |
46680 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | ;2-2-3;2-1-11;..11.....3;1-2-3;1 |
466a0 | 2d 31 2d 38 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 | -1-8;2-1-1;2-2-3;..12.....3;1-2- |
466c0 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 3;2-2-3;2-1-8;..13.....3;1-2-3;2 |
466e0 | 2d 33 2d 33 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 31 35 | -3-3;..14.....3;1-3-3;2-4-3;..15 |
46700 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 | .....3;1-2-3;2-2-3;....dataset_i |
46720 | 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed | ds......0.V..4+r.5o....1.V..:+r. |
46740 | 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f | 5o....2.V..;+r.5o....3.V..;+r.5o |
46760 | 00 01 c5 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 | ....4.V..=+r.5o....5.V..>+r.5o.. |
46780 | ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 | ..6.V..?+r.5o....7.V..@+r.5o.... |
467a0 | 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 | 8.V..A+r.5o....9.V..B+r.5o....10 |
467c0 | 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 | .V..C+r.5o.....features./....56b |
467e0 | 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 94 73 fa | a0c342b72ed356f000000......0..s. |
46800 | e4 bb f7 b2 3f 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 | ....?...smiles.*...OC(C(C)(C)C)C |
46820 | 28 6e 31 63 6e 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 | (n1cncn1)Oc1ccc(cc1)c1ccccc1..up |
46840 | 64 61 74 65 64 5f 61 74 00 dd e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ea b3 bf | dated_at.....R....created_at.... |
46860 | c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 10 | .R....default_fingerprint_size.. |
46880 | 00 00 00 02 69 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 | ....inchi.v...InChI=1S/C20H23N3O |
468a0 | 32 2f 63 31 2d 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 | 2/c1-20(2,3)18(24)19(23-14-21-13 |
468c0 | 2d 32 32 2d 32 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 | -22-23)25-17-11-9-16(10-12-17)15 |
468e0 | 2d 37 2d 35 2d 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 | -7-5-4-6-8-15/h4-14,18-19,24H,1- |
46900 | 33 48 33 00 00 c7 03 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 33 04 77 61 72 6e 69 | 3H3......._id.V..6+r.5o..3.warni |
46920 | 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 50 32 44 | ngs.......fingerprints......MP2D |
46940 | 00 d2 01 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 16 | ......0.....1;1-1-1;2-1-28;..1.. |
46960 | 00 00 00 31 3b 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 | ...1;1-1-1;1-1-28;2-1-2;..2.#... |
46980 | 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 39 3b 32 2d 31 2d 32 | 28;1-1-1;1-1-2;2-1-1;2-1-9;2-1-2 |
469a0 | 38 3b 00 02 33 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 | 8;..3.....2;1-1-9;1-2-28;2-1-1;2 |
469c0 | 2d 31 2d 32 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 | -1-2;..4.....9;1-1-2;2-2-28;..5. |
469e0 | 1d 00 00 00 32 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 | ....28;1-2-2;2-1-2;2-2-9;2-1-28; |
46a00 | 00 02 36 00 28 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 | ..6.(...2;1-1-2;1-1-9;1-1-28;2-1 |
46a20 | 2d 32 3b 32 2d 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 | -2;2-1-4;2-1-6;..7.....9;1-1-2;2 |
46a40 | 2d 31 2d 32 3b 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 | -1-2;2-1-28;..8.(...2;1-1-2;1-1- |
46a60 | 34 3b 31 2d 31 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 | 4;1-1-6;2-1-7;2-2-9;2-1-28;..9.! |
46a80 | 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 31 2d 32 3b 32 2d 31 | ...6;1-1-2;1-1-9;2-1-1;2-1-2;2-1 |
46aa0 | 2d 34 3b 00 02 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 | -4;..10.....9;1-1-1;1-1-6;2-1-2; |
46ac0 | 00 02 31 31 00 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 | ..11.....1;1-1-9;2-1-6;..12..... |
46ae0 | 34 3b 31 2d 31 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 | 4;1-1-2;1-1-7;2-1-2;2-1-6;..13.. |
46b00 | 00 00 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 2d 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 | ...7;1-1-4;2-1-2;....dataset_ids |
46b20 | 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f | ......0.V..4+r.5o....1.V..:+r.5o |
46b40 | 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 | ....2.V..:+r.5o....3.V..<+r.5o.. |
46b60 | c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 | ..4.V..=+r.5o....5.V..>+r.5o.... |
46b80 | 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 | 6.V..?+r.5o....7.V..@+r.5o....8. |
46ba0 | 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 | V..A+r.5o....9.V..B+r.5o....10.V |
46bc0 | ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 | ..C+r.5o.....features./....56ba0 |
46be0 | 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 24 40 dc cd f5 | c342b72ed356f000000......0.$@... |
46c00 | 91 c3 3f 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 43 43 4e 43 28 3d 4f 29 4e 43 28 3d 4f 29 43 | ..?...smiles.....CCNC(=O)NC(=O)C |
46c20 | 28 3d 4e 4f 43 29 43 23 4e 00 09 75 70 64 61 74 65 64 5f 61 74 00 c7 e8 bf c6 52 01 00 00 09 63 | (=NOC)C#N..updated_at.....R....c |
46c40 | 72 65 61 74 65 64 5f 61 74 00 f9 b3 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.....R....default_finge |
46c60 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 0e 00 00 00 02 69 6e 63 68 69 00 50 00 00 00 49 6e 43 68 49 | rprint_size......inchi.P...InChI |
46c80 | 3d 31 53 2f 43 37 48 31 30 4e 34 4f 33 2f 63 31 2d 33 2d 39 2d 37 28 31 33 29 31 30 2d 36 28 31 | =1S/C7H10N4O3/c1-3-9-7(13)10-6(1 |
46ca0 | 32 29 35 28 34 2d 38 29 31 31 2d 31 34 2d 32 2f 68 33 48 32 2c 31 2d 32 48 33 2c 28 48 32 2c 39 | 2)5(4-8)11-14-2/h3H2,1-2H3,(H2,9 |
46cc0 | 2c 31 30 2c 31 32 2c 31 33 29 00 00 c4 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 | ,10,12,13)......._id.V..6+r.5o.. |
46ce0 | 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 69 6e 74 73 00 a9 02 | 4.warnings.......fingerprints... |
46d00 | 00 00 04 4d 50 32 44 00 9e 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 |
46d20 | 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 02 32 | ;..1.....1;1-1-1;1-1-8;2-1-3;..2 |
46d40 | 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 3b 00 | .....8;1-1-1;1-1-3;2-1-1;2-2-3;. |
46d60 | 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 2d 33 | .3."...3;1-2-3;1-1-8;2-1-1;2-2-3 |
46d80 | 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 32 2d | ;2-1-19;..4.....3;1-2-3;2-2-3;2- |
46da0 | 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 33 3b | 2-8;..5.....3;1-2-3;1-1-8;2-3-3; |
46dc0 | 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 37 00 | ..6.....3;1-2-3;2-2-3;2-1-8;..7. |
46de0 | 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 29 00 00 | ....3;1-2-3;2-2-3;2-1-19;..8.).. |
46e00 | 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 31 2d | .3;1-2-3;1-1-19;2-2-3;2-1-8;2-1- |
46e20 | 39 3b 32 2d 31 2d 33 32 3b 00 02 39 00 1d 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b | 9;2-1-32;..9.....19;1-1-3;1-1-9; |
46e40 | 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 2d 31 39 3b 32 | 1-1-32;2-2-3;..10.....9;1-1-19;2 |
46e60 | 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 2d 31 39 3b 32 | -1-3;2-1-32;..11.....32;1-1-19;2 |
46e80 | 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 32 00 0f 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 2d | -1-3;2-1-9;..12.....8;1-2-3;2-4- |
46ea0 | 33 3b 00 02 31 33 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 | 3;..13.....3;1-2-3;1-1-8;2-3-3;2 |
46ec0 | 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 32 | -1-15;..14.....3;1-2-3;2-1-1;2-2 |
46ee0 | 2d 33 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 | -3;..15.....3;1-1-1;1-2-3;2-2-3; |
46f00 | 32 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 | 2-3-16;..16.....3;1-2-3;2-1-1;2- |
46f20 | 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 37 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 2-3;2-1-15;..17.....3;1-2-3;1-1- |
46f40 | 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 38 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 | 15;2-2-3;2-1-8;..18.....15;1-1-3 |
46f60 | 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 33 2d 31 36 3b 32 | ;2-2-3;..19.....1;1-1-3;1-3-16;2 |
46f80 | 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 2d 33 3b 32 2d 32 | -2-3;..20.....16;1-1-1;2-1-3;2-2 |
46fa0 | 2d 31 36 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b | -16;....dataset_ids......0.V..4+ |
46fc0 | 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed | r.5o....1.V..:+r.5o....2.V..;+r. |
46fe0 | 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f | 5o....3.V..<+r.5o....4.V..<+r.5o |
47000 | 00 01 c7 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 | ....5.V..>+r.5o....6.V..?+r.5o.. |
47020 | cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 | ..7.V..@+r.5o....8.V..A+r.5o.... |
47040 | 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 | 9.V..B+r.5o....10.V..C+r.5o..... |
47060 | 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 | features./....56ba0c342b72ed356f |
47080 | 30 30 30 30 30 30 00 10 00 00 00 01 30 00 ef 20 46 d4 8b 4f bc 3f 00 00 02 73 6d 69 6c 65 73 00 | 000000......0...F..O.?...smiles. |
470a0 | 2f 00 00 00 43 43 4f 63 31 63 63 28 63 63 63 31 5b 4e 2b 5d 28 3d 4f 29 5b 4f 2d 5d 29 4f 63 31 | /...CCOc1cc(ccc1[N+](=O)[O-])Oc1 |
470c0 | 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 2e | ccc(cc1Cl)C(F)(F)F..updated_at.. |
470e0 | e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ff b3 bf c6 52 01 00 00 10 64 65 66 61 | ...R....created_at.....R....defa |
47100 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 15 00 00 00 02 69 6e 63 68 69 00 | ult_fingerprint_size......inchi. |
47120 | 6b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 31 31 43 6c 46 33 4e 4f 34 2f 63 31 2d 32 2d | k...InChI=1S/C15H11ClF3NO4/c1-2- |
47140 | 32 33 2d 31 34 2d 38 2d 31 30 28 34 2d 35 2d 31 32 28 31 34 29 32 30 28 32 31 29 32 32 29 32 34 | 23-14-8-10(4-5-12(14)20(21)22)24 |
47160 | 2d 31 33 2d 36 2d 33 2d 39 28 37 2d 31 31 28 31 33 29 31 36 29 31 35 28 31 37 2c 31 38 29 31 39 | -13-6-3-9(7-11(13)16)15(17,18)19 |
47180 | 2f 68 33 2d 38 48 2c 32 48 32 2c 31 48 33 00 00 a3 03 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed | /h3-8H,2H2,1H3......._id.V..6+r. |
471a0 | 35 6f 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 6e 74 | 5o..5.warnings.......fingerprint |
471c0 | 73 00 c7 01 00 00 04 4d 50 32 44 00 bc 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 |
471e0 | 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 31 | -1-1;..1.....1;1-1-1;1-1-8;2-1-1 |
47200 | 31 3b 00 02 32 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 | 1;..2.....1;1-1-1;1-1-11;2-2-3;2 |
47220 | 2d 31 2d 38 3b 00 02 33 00 2a 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -1-8;..3.*...11;1-1-1;1-2-3;2-2- |
47240 | 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 1c 00 00 00 33 3b | 1;2-1-3;2-1-11;2-1-19;..4.....3; |
47260 | 31 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 35 00 10 00 00 | 1-1-1;1-2-11;2-1-1;2-2-3;..5.... |
47280 | 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 36 00 1d 00 00 00 31 31 3b 31 2d 32 2d 33 | .1;1-1-3;2-2-11;..6.....11;1-2-3 |
472a0 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 37 00 24 00 00 00 33 3b 31 2d | ;2-1-1;2-1-3;2-1-11;..7.$...3;1- |
472c0 | 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 | 1-3;1-1-11;2-1-3;2-1-11;2-1-19;. |
472e0 | 02 38 00 37 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 39 3b 32 2d 31 | .8.7...3;1-1-3;1-1-11;1-1-19;2-1 |
47300 | 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 33 32 3b 00 02 39 | -1;2-1-3;2-1-9;2-1-11;2-1-32;..9 |
47320 | 00 24 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 33 32 3b 32 2d 31 2d 33 | .$...19;1-1-3;1-1-9;1-1-32;2-1-3 |
47340 | 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b | ;2-1-11;..10.....9;1-1-19;2-1-3; |
47360 | 32 2d 31 2d 33 32 3b 00 02 31 31 00 17 00 00 00 33 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b | 2-1-32;..11.....32;1-1-19;2-1-3; |
47380 | 32 2d 31 2d 39 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c | 2-1-9;....dataset_ids......0.V.. |
473a0 | 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b | 4+r.5o....1.V..:+r.5o....2.V..;+ |
473c0 | 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed | r.5o....3.V..<+r.5o....4.V..=+r. |
473e0 | 35 6f 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f | 5o....5.V..=+r.5o....6.V..?+r.5o |
47400 | 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 | ....7.V..@+r.5o....8.V..A+r.5o.. |
47420 | d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 | ..9.V..B+r.5o....10.V..C+r.5o... |
47440 | 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 | ..features./....56ba0c342b72ed35 |
47460 | 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 0b 1e 35 37 80 0b ec 3f 00 00 02 73 6d 69 6c 65 | 6f000000......0...57...?...smile |
47480 | 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 2d 5d 00 | s.....OCCn1c(C)ncc1[N+](=O)[O-]. |
474a0 | 09 75 70 64 61 74 65 64 5f 61 74 00 7d e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at.}...R....created_at. |
474c0 | 06 b4 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | ....R....default_fingerprint_siz |
474e0 | 65 00 0c 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 39 4e 33 | e......inchi.A...InChI=1S/C6H9N3 |
47500 | 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 2d 31 30 | O3/c1-5-7-4-6(9(11)12)8(5)2-3-10 |
47520 | 2f 68 34 2c 31 30 48 2c 32 2d 33 48 32 2c 31 48 33 00 00 6c 03 00 00 07 5f 69 64 00 56 ba 0c 36 | /h4,10H,2-3H2,1H3..l...._id.V..6 |
47540 | 2b 72 ed 35 6f 00 01 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 | +r.5o..6.warnings.......fingerpr |
47560 | 69 6e 74 73 00 4b 01 00 00 04 4d 50 32 44 00 40 01 00 00 02 30 00 18 00 00 00 31 35 3b 31 2d 31 | ints.K....MP2D.@....0.....15;1-1 |
47580 | 2d 31 3b 32 2d 31 2d 31 30 3b 32 2d 32 2d 31 35 3b 00 02 31 00 18 00 00 00 31 3b 31 2d 31 2d 31 | -1;2-1-10;2-2-15;..1.....1;1-1-1 |
475a0 | 30 3b 31 2d 33 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 02 32 00 1e 00 00 00 31 30 3b 31 2d 31 2d 31 | 0;1-3-15;2-1-28;..2.....10;1-1-1 |
475c0 | 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 32 3b 32 2d 33 2d 31 35 3b 00 02 33 00 23 00 00 00 32 38 3b | ;1-1-28;2-2-2;2-3-15;..3.#...28; |
475e0 | 31 2d 32 2d 32 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 00 | 1-2-2;1-1-10;2-1-1;2-2-3;2-2-9;. |
47600 | 02 34 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 32 2d 31 2d | .4.)...2;1-1-3;1-1-9;1-1-28;2-1- |
47620 | 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 35 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 | 2;2-2-3;2-1-10;..5.....9;1-1-2;2 |
47640 | 2d 31 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 36 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d | -1-3;2-1-28;..6.(...3;1-1-2;1-2- |
47660 | 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 02 37 00 15 | 3;2-1-2;2-2-3;2-1-9;2-1-28;..7.. |
47680 | 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 |
476a0 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 | ;1-2-3;2-2-3;....dataset_ids.... |
476c0 | 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 | ..0.V..4+r.5o....1.V..9+r.5o.... |
476e0 | 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 34 00 | 2.V..:+r.5o....3.V..;+r.5o....4. |
47700 | 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 35 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 36 00 56 ba | V..;+r.5o....5.V..<+r.5o....6.V. |
47720 | 0c 3d 2b 72 ed 35 6f 00 01 c8 07 37 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 38 00 56 ba 0c 3f | .=+r.5o....7.V..>+r.5o....8.V..? |
47740 | 2b 72 ed 35 6f 00 01 cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c 41 2b | +r.5o....9.V..@+r.5o....10.V..A+ |
47760 | 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b | r.5o....11.V..B+r.5o....12.V..C+ |
47780 | 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 45 00 00 00 04 35 36 62 61 30 63 33 34 32 | r.5o.....features.E....56ba0c342 |
477a0 | 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 26 00 00 00 01 30 00 f7 26 b8 1d e9 f9 fa 3f 01 | b72ed356f000000.&....0..&.....?. |
477c0 | 31 00 c7 bc f0 64 c8 43 c1 3f 01 32 00 f9 eb 2c 7e ba 94 c5 3f 00 00 02 73 6d 69 6c 65 73 00 22 | 1....d.C.?.2...,~...?...smiles." |
477e0 | 00 00 00 43 6c 43 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 | ...ClC(SN1C(=O)c2c(C1=O)cccc2)(C |
47800 | 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 df e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 | l)Cl..updated_at.....R....create |
47820 | 64 5f 61 74 00 0c b4 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.....R....default_fingerprin |
47840 | 74 5f 73 69 7a 65 00 09 00 00 00 02 69 6e 63 68 69 00 48 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.H...InChI=1S/C |
47860 | 39 48 34 43 6c 33 4e 4f 32 53 2f 63 31 30 2d 39 28 31 31 2c 31 32 29 31 36 2d 31 33 2d 37 28 31 | 9H4Cl3NO2S/c10-9(11,12)16-13-7(1 |
47880 | 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 2d 34 48 00 00 97 | 4)5-3-1-2-4-6(5)8(13)15/h1-4H... |
478a0 | 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 37 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..6+r.5o..7.warnings... |
478c0 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 4c 02 00 00 04 4d 50 32 44 00 41 02 00 00 02 | ....fingerprints.L....MP2D.A.... |
478e0 | 30 00 0f 00 00 00 34 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 | 0.....4;1-1-4;2-1-1;..1.....4;1- |
47900 | 31 2d 31 3b 31 2d 31 2d 34 3b 32 2d 31 2d 38 3b 00 02 32 00 1c 00 00 00 31 3b 31 2d 31 2d 34 3b | 1-1;1-1-4;2-1-8;..2.....1;1-1-4; |
47920 | 31 2d 31 2d 38 3b 32 2d 31 2d 34 3b 32 2d 31 2d 32 39 3b 00 02 33 00 22 00 00 00 38 3b 31 2d 31 | 1-1-8;2-1-4;2-1-29;..3."...8;1-1 |
47940 | 2d 31 3b 31 2d 31 2d 32 39 3b 32 2d 31 2d 34 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 34 00 | -1;1-1-29;2-1-4;2-1-8;2-1-9;..4. |
47960 | 16 00 00 00 32 39 3b 31 2d 32 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 00 02 35 00 10 00 00 | ....29;1-2-8;1-1-9;2-2-1;..5.... |
47980 | 00 39 3b 31 2d 31 2d 32 39 3b 32 2d 32 2d 38 3b 00 02 36 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b | .9;1-1-29;2-2-8;..6."...8;1-1-1; |
479a0 | 31 2d 31 2d 32 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 37 00 22 00 00 | 1-1-29;2-2-1;2-1-8;2-1-9;..7.".. |
479c0 | 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 32 2d 31 2d 32 | .1;1-2-1;1-1-8;2-2-1;2-1-8;2-1-2 |
479e0 | 39 3b 00 02 38 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 | 9;..8.....1;1-2-1;2-2-1;2-1-8;.. |
47a00 | 39 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 30 00 21 00 00 00 31 3b 31 | 9.....1;1-2-1;2-2-1;..10.!...1;1 |
47a20 | 2d 32 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 3b 00 02 31 | -2-1;1-1-8;2-2-1;2-1-3;2-1-8;..1 |
47a40 | 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 3b 32 2d 32 2d 33 3b | 1.....8;1-1-1;1-1-3;2-2-1;2-2-3; |
47a60 | 00 02 31 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 | ..12.....3;1-2-3;1-1-8;2-1-1;2-2 |
47a80 | 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 32 2d 31 2d 38 3b | -3;..13.....3;1-2-3;2-2-3;2-1-8; |
47aa0 | 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 3b 00 02 31 | ..14.....3;1-2-3;2-1-1;2-2-3;..1 |
47ac0 | 35 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 33 3b | 5.....3;1-1-1;1-2-3;2-3-1;2-2-3; |
47ae0 | 00 02 31 36 00 15 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 | ..16.....1;1-3-1;1-1-3;2-2-3;..1 |
47b00 | 37 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 04 64 61 | 7.....1;1-1-1;2-2-1;2-1-3;....da |
47b20 | 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 | taset_ids......0.V..4+r.5o....1. |
47b40 | 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba | V..:+r.5o....2.V..;+r.5o....3.V. |
47b60 | 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 ba 0c 3d | .;+r.5o....4.V..<+r.5o....5.V..= |
47b80 | 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 | +r.5o....6.V..>+r.5o....7.V..?+r |
47ba0 | ed 35 6f 00 01 cc 07 38 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 39 00 56 ba 0c 41 2b 72 ed 35 | .5o....8.V..@+r.5o....9.V..A+r.5 |
47bc0 | 6f 00 01 d0 07 31 30 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 31 00 56 ba 0c 42 2b 72 ed 35 | o....10.V..B+r.5o....11.V..B+r.5 |
47be0 | 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a | o....12.V..C+r.5o.....features.: |
47c00 | 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 | ....56ba0c342b72ed356f000000.... |
47c20 | 00 01 30 00 0d 30 f3 7e d5 42 d2 3f 01 31 00 29 ce cd 64 bf c1 ab 3f 00 00 02 73 6d 69 6c 65 73 | ..0..0.~.B.?.1.)..d...?...smiles |
47c40 | 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 63 28 63 | .'...C#CCOS(=O)OC1CCCCC1Oc1ccc(c |
47c60 | 63 31 29 43 28 43 29 28 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 4b ea bf c6 52 01 00 00 | c1)C(C)(C)C..updated_at.K...R... |
47c80 | 09 63 72 65 61 74 65 64 5f 61 74 00 12 b4 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.....R....default_fin |
47ca0 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 12 00 00 00 02 69 6e 63 68 69 00 78 00 00 00 49 6e 43 | gerprint_size......inchi.x...InC |
47cc0 | 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 28 32 30 | hI=1S/C19H26O4S/c1-5-14-21-24(20 |
47ce0 | 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 2d 31 30 | )23-18-9-7-6-8-17(18)22-16-12-10 |
47d00 | 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 33 2c 31 | -15(11-13-16)19(2,3)4/h1,10-13,1 |
47d20 | 37 2d 31 38 48 2c 36 2d 39 2c 31 34 48 32 2c 32 2d 34 48 33 00 00 9a 04 00 00 07 5f 69 64 00 56 | 7-18H,6-9,14H2,2-4H3......._id.V |
47d40 | ba 0c 36 2b 72 ed 35 6f 00 01 38 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..6+r.5o..8.warnings.......finge |
47d60 | 72 70 72 69 6e 74 73 00 8a 02 00 00 04 4d 50 32 44 00 7f 02 00 00 02 30 00 0f 00 00 00 31 3b 31 | rprints......MP2D......0.....1;1 |
47d80 | 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 |
47da0 | 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 00 00 31 | ;..2.....1;1-2-1;2-2-1;..3.....1 |
47dc0 | 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 28 00 00 | ;1-2-1;2-2-1;2-1-3;2-1-8;..4.(.. |
47de0 | 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 32 2d 33 | .1;1-2-1;1-1-3;1-1-8;2-1-1;2-2-3 |
47e00 | 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- |
47e20 | 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 00 00 33 | 2-1;2-2-3;2-1-8;2-1-15;..6.....3 |
47e40 | 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 |
47e60 | 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; |
47e80 | 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 |
47ea0 | 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 |
47ec0 | 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; |
47ee0 | 32 2d 32 2d 33 3b 00 02 31 32 00 29 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 31 3b 32 2d | 2-2-3;..12.)...1;1-1-1;1-1-11;2- |
47f00 | 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 33 00 2a 00 00 00 | 1-1;2-2-3;2-1-8;2-1-11;..13.*... |
47f20 | 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- |
47f40 | 33 3b 32 2d 31 2d 31 31 3b 00 02 31 34 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 31 | 3;2-1-11;..14.....3;1-2-11;2-1-1 |
47f60 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 35 00 11 00 00 00 31 31 3b 31 2d 32 2d 33 3b | ;2-1-3;2-1-11;..15.....11;1-2-3; |
47f80 | 32 2d 32 2d 31 31 3b 00 02 31 36 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 31 2d 33 3b 32 | 2-2-11;..16.....3;1-2-11;2-1-3;2 |
47fa0 | 2d 31 2d 31 31 3b 00 02 31 37 00 24 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 | -1-11;..17.$...11;1-1-3;1-1-11;2 |
47fc0 | 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 38 00 15 00 00 00 38 3b 31 2d 31 | -1-1;2-1-3;2-1-11;..18.....8;1-1 |
47fe0 | 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab | -1;2-2-1;2-1-3;....dataset_ids.. |
48000 | 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 | ....0.V..4+r.5o....1.V..9+r.5o.. |
48020 | c1 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 | ..2.V..;+r.5o....3.V..<+r.5o.... |
48040 | 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 | 4.V..=+r.5o....5.V..>+r.5o....6. |
48060 | 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba | V..?+r.5o....7.V..@+r.5o....8.V. |
48080 | 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c | .A+r.5o....9.V..B+r.5o....10.V.. |
480a0 | 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 | C+r.5o.....features./....56ba0c3 |
480c0 | 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 b3 f2 67 fc 5e a2 8e | 42b72ed356f000000......0...g.^.. |
480e0 | 3f 00 00 02 73 6d 69 6c 65 73 00 21 00 00 00 43 43 43 43 43 28 63 31 63 63 63 28 63 63 31 43 6c | ?...smiles.!...CCCCC(c1ccc(cc1Cl |
48100 | 29 43 6c 29 28 43 6e 31 63 6e 63 6e 31 29 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 59 e8 bf c6 | )Cl)(Cn1cncn1)O..updated_at.Y... |
48120 | 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 19 b4 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 | R....created_at.....R....default |
48140 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 13 00 00 00 02 69 6e 63 68 69 00 6e 00 00 | _fingerprint_size......inchi.n.. |
48160 | 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 37 43 6c 32 4e 33 4f 2f 63 31 2d 32 2d 33 2d 36 2d | .InChI=1S/C14H17Cl2N3O/c1-2-3-6- |
48180 | 31 34 28 32 30 2c 38 2d 31 39 2d 31 30 2d 31 37 2d 39 2d 31 38 2d 31 39 29 31 32 2d 35 2d 34 2d | 14(20,8-19-10-17-9-18-19)12-5-4- |
481a0 | 31 31 28 31 35 29 37 2d 31 33 28 31 32 29 31 36 2f 68 34 2d 35 2c 37 2c 39 2d 31 30 2c 32 30 48 | 11(15)7-13(12)16/h4-5,7,9-10,20H |
481c0 | 2c 32 2d 33 2c 36 2c 38 48 32 2c 31 48 33 00 00 95 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed | ,2-3,6,8H2,1H3......._id.V..6+r. |
481e0 | 35 6f 00 01 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 | 5o..9.warnings.......fingerprint |
48200 | 73 00 86 02 00 00 04 4d 50 32 44 00 7b 02 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; |
48220 | 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 |
48240 | 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 35 3b | -3;..2.....3;1-2-3;2-2-3;2-1-15; |
48260 | 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. |
48280 | 22 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 | "...3;1-1-2;1-2-3;2-1-2;2-2-3;2- |
482a0 | 31 2d 31 35 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 | 1-15;..5.....3;1-2-3;1-1-15;2-1- |
482c0 | 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 2d 33 3b 32 2d | 2;2-2-3;..6.....3;1-2-3;2-2-3;2- |
482e0 | 32 2d 31 35 3b 00 02 37 00 22 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 | 2-15;..7."...2;1-1-2;1-1-3;2-1-1 |
48300 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 2f 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d | ;2-2-3;2-1-11;..8./...2;1-1-1;1- |
48320 | 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 31 | 1-2;1-1-11;2-1-1;2-2-3;2-1-8;2-1 |
48340 | 2d 31 31 3b 00 02 39 00 28 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b | -11;..9.(...1;1-1-1;1-1-2;1-1-8; |
48360 | 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 15 00 00 00 31 3b 31 2d | 2-3-1;2-1-2;2-1-11;..10.....1;1- |
48380 | 34 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 31 00 0f 00 00 00 31 3b 31 2d 31 2d 31 | 4-1;2-1-2;2-1-8;..11.....1;1-1-1 |
483a0 | 3b 32 2d 33 2d 31 3b 00 02 31 32 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d | ;2-3-1;..12.....8;1-1-1;2-1-1;2- |
483c0 | 31 2d 32 3b 00 02 31 33 00 30 00 00 00 31 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d | 1-2;..13.0...11;1-1-2;1-1-3;1-1- |
483e0 | 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 34 | 11;2-1-1;2-1-2;2-1-3;2-1-11;..14 |
48400 | 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 31 2d 31 31 | .....3;1-2-11;2-1-2;2-1-3;2-1-11 |
48420 | 3b 00 02 31 35 00 11 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 36 00 17 | ;..15.....11;1-2-3;2-2-11;..16.. |
48440 | 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 37 00 24 00 | ...3;1-2-11;2-1-3;2-1-11;..17.$. |
48460 | 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 2d | ..11;1-1-3;1-1-11;2-1-2;2-1-3;2- |
48480 | 31 2d 31 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 | 1-11;....dataset_ids......0.V..4 |
484a0 | 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 | +r.5o....1.V..:+r.5o....2.V..;+r |
484c0 | ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 | .5o....3.V..<+r.5o....4.V..=+r.5 |
484e0 | 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 | o....5.V..>+r.5o....6.V..?+r.5o. |
48500 | 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 | ...7.V..@+r.5o....8.V..A+r.5o... |
48520 | 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 | .9.V..B+r.5o....10.V..C+r.5o.... |
48540 | 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 | .features./....56ba0c342b72ed356 |
48560 | 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 17 b9 73 c9 5c 9e c3 3f 00 00 02 73 6d 69 6c 65 73 | f000000......0...s.\..?...smiles |
48580 | 00 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 | .)...Clc1ccc(c(c1)Cl)C=C(C(C(C)( |
485a0 | 43 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 6a ea bf c6 52 01 | C)C)O)n1cncn1..updated_at.j...R. |
485c0 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 1f b4 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at.....R....default_f |
485e0 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 12 00 00 00 02 69 6e 63 68 69 00 65 00 00 00 49 | ingerprint_size......inchi.e...I |
48600 | 6e 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 | nChI=1S/C15H17Cl2N3O/c1-15(2,3)1 |
48620 | 34 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 | 4(21)13(20-9-18-8-19-20)6-10-4-5 |
48640 | 2d 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 | -11(16)7-12(10)17/h4-9,14,21H,1- |
48660 | 33 48 33 00 00 6f 03 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 3a 04 77 61 72 6e 69 | 3H3..o...._id.V..6+r.5o..:.warni |
48680 | 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 00 00 04 4d 50 32 44 | ngs.......fingerprints.G....MP2D |
486a0 | 00 3c 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 1c 00 | .<....0.....7;1-1-4;2-1-3;..1... |
486c0 | 00 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 | ..4;1-1-3;1-1-7;2-1-3;2-1-18;..2 |
486e0 | 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 2d 33 3b | ./...3;1-1-3;1-1-4;1-1-18;2-1-3; |
48700 | 32 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 | 2-1-4;2-1-7;2-1-18;..3.....18;1- |
48720 | 32 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 | 2-3;2-3-3;2-1-4;..4.#...3;1-2-3; |
48740 | 31 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 1c 00 | 1-1-18;2-3-3;2-1-9;2-1-18;..5... |
48760 | 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 38 3b 00 02 36 | ..3;1-2-3;1-1-9;2-3-3;2-1-18;..6 |
48780 | 00 0f 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 15 00 00 00 33 3b 31 2d 33 | .....9;1-1-3;2-2-3;..7.....3;1-3 |
487a0 | 2d 33 3b 32 2d 34 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 | -3;2-4-3;2-1-9;..8.....3;1-2-3;2 |
487c0 | 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 00 00 04 64 | -3-3;..9.....3;1-2-3;2-2-3;....d |
487e0 | 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 | ataset_ids......0.V..4+r.5o....1 |
48800 | 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 33 00 56 | .V..9+r.5o....2.V..:+r.5o....3.V |
48820 | ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 ba 0c | ..;+r.5o....4.V..<+r.5o....5.V.. |
48840 | 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b | =+r.5o....6.V..>+r.5o....7.V..?+ |
48860 | 72 ed 35 6f 00 01 cc 07 38 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 39 00 56 ba 0c 41 2b 72 ed | r.5o....8.V..@+r.5o....9.V..A+r. |
48880 | 35 6f 00 01 cf 07 31 30 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed | 5o....10.V..A+r.5o....11.V..B+r. |
488a0 | 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 | 5o....12.V..C+r.5o.....features. |
488c0 | 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 | :....56ba0c342b72ed356f000000... |
488e0 | 00 00 01 30 00 40 7d 2f 1f 45 47 a1 3f 01 31 00 4d 96 d2 8b ec bb 94 3f 00 00 02 73 6d 69 6c 65 | ...0.@}/.EG.?.1.M......?...smile |
48900 | 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 29 63 31 63 | s.&...N#Cc1sc2=c(sc1C#N)c(=O)c1c |
48920 | 28 63 32 3d 4f 29 63 63 63 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 24 ea bf c6 52 01 00 00 | (c2=O)cccc1..updated_at.$...R... |
48940 | 09 63 72 65 61 74 65 64 5f 61 74 00 29 b4 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.)...R....default_fin |
48960 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0a 00 00 00 02 69 6e 63 68 69 00 56 00 00 00 49 6e 43 | gerprint_size......inchi.V...InC |
48980 | 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 28 36 2d 31 | hI=1S/C14H4N2O2S2/c15-5-9-10(6-1 |
489a0 | 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 31 31 28 31 | 6)20-14-12(18)8-4-2-1-3-7(8)11(1 |
489c0 | 37 29 31 33 28 31 34 29 31 39 2d 39 2f 68 31 2d 34 48 00 00 8e 05 00 00 07 5f 69 64 00 56 ba 0c | 7)13(14)19-9/h1-4H......._id.V.. |
489e0 | 36 2b 72 ed 35 6f 00 01 3b 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | 6+r.5o..;.warnings.......fingerp |
48a00 | 72 69 6e 74 73 00 55 03 00 00 04 4d 50 32 44 00 4a 03 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 | rints.U....MP2D.J....0.....1;1-1 |
48a20 | 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 31 2d 31 3b | -3;2-1-3;2-1-11;..1.)...3;1-1-1; |
48a40 | 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 31 3b | 1-1-3;1-1-11;2-1-2;2-1-3;2-1-11; |
48a60 | 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 31 3b 32 2d | ..2.....11;1-1-3;1-1-11;2-2-1;2- |
48a80 | 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 2d 31 2d 31 | 2-3;..3.#...11;1-1-1;1-1-3;1-1-1 |
48aa0 | 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 33 3b 31 2d | 1;2-2-3;2-1-8;..4./...3;1-1-3;1- |
48ac0 | 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 3b 32 2d 31 | 1-8;1-1-11;2-1-1;2-1-2;2-2-3;2-1 |
48ae0 | 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 31 2d 31 3b | -11;..5.(...3;1-1-2;1-2-3;2-1-1; |
48b00 | 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 3b 31 2d 31 | 2-1-6;2-1-8;2-2-11;..6.....2;1-1 |
48b20 | 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 00 36 3b 31 | -3;1-1-6;2-2-3;2-1-9;..7.....6;1 |
48b40 | 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 00 00 00 39 | -1-2;1-1-9;2-1-1;2-1-3;..8.....9 |
48b60 | 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 00 1b 00 00 | ;1-1-1;1-1-6;2-1-2;2-1-3;..9.... |
48b80 | 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 02 31 30 00 | .1;1-1-3;1-1-9;2-2-3;2-1-6;..10. |
48ba0 | 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 39 3b 00 02 | ....3;1-1-1;1-2-3;2-2-3;2-1-9;.. |
48bc0 | 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. |
48be0 | 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 00 21 00 00 | ....3;1-2-3;2-1-2;2-2-3;..13.!.. |
48c00 | 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 |
48c20 | 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 3b 32 2d | ;..14.!...2;1-1-3;1-1-8;1-1-9;2- |
48c40 | 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 2d 33 | 1-1;2-2-3;..15.....9;1-1-2;2-1-3 |
48c60 | 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 2d 31 2d 32 3b 32 2d | ;2-1-8;..16.!...8;1-1-1;1-1-2;2- |
48c80 | 33 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 37 00 15 00 00 00 31 3b 31 2d 33 2d 31 | 3-1;2-1-3;2-1-9;..17.....1;1-3-1 |
48ca0 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 31 38 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d | ;1-1-8;2-1-2;..18.....1;1-1-1;2- |
48cc0 | 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 39 00 16 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 | 2-1;2-1-8;..19.....8;1-2-3;2-3-3 |
48ce0 | 3b 32 2d 31 2d 31 31 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 | ;2-1-11;..20.....3;1-2-3;1-1-8;2 |
48d00 | 2d 33 2d 33 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 | -3-3;..21.....3;1-2-3;2-2-3;2-1- |
48d20 | 38 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 00 17 00 | 8;..22.....3;1-2-3;2-2-3;..23... |
48d40 | 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 04 64 61 74 61 | ..1;1-1-11;2-1-3;2-1-11;....data |
48d60 | 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba | set_ids......0.V..4+r.5o....1.V. |
48d80 | 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3b | .:+r.5o....2.V..;+r.5o....3.V..; |
48da0 | 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 | +r.5o....4.V..=+r.5o....5.V..>+r |
48dc0 | ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 | .5o....6.V..?+r.5o....7.V..@+r.5 |
48de0 | 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 | o....8.V..A+r.5o....9.V..B+r.5o. |
48e00 | 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 | ...10.V..C+r.5o.....features./.. |
48e20 | 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 | ..56ba0c342b72ed356f000000...... |
48e40 | 30 00 3b fd 95 fe 64 ee 7d 3f 00 00 02 73 6d 69 6c 65 73 00 34 00 00 00 43 63 31 6e 6e 28 63 28 | 0.;...d.}?...smiles.4...Cc1nn(c( |
48e60 | 63 31 43 3d 4e 4f 43 63 31 63 63 63 28 63 63 31 29 43 28 3d 4f 29 4f 43 28 43 29 28 43 29 43 29 | c1C=NOCc1ccc(cc1)C(=O)OC(C)(C)C) |
48e80 | 4f 63 31 63 63 63 63 63 31 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 f6 e8 bf c6 52 01 00 00 | Oc1ccccc1)C..updated_at.....R... |
48ea0 | 09 63 72 65 61 74 65 64 5f 61 74 00 30 b4 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.0...R....default_fin |
48ec0 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 18 00 00 00 02 69 6e 63 68 69 00 84 00 00 00 49 6e 43 | gerprint_size......inchi.....InC |
48ee0 | 68 49 3d 31 53 2f 43 32 34 48 32 37 4e 33 4f 34 2f 63 31 2d 31 37 2d 32 31 28 32 32 28 32 37 28 | hI=1S/C24H27N3O4/c1-17-21(22(27( |
48f00 | 35 29 32 36 2d 31 37 29 33 30 2d 32 30 2d 39 2d 37 2d 36 2d 38 2d 31 30 2d 32 30 29 31 35 2d 32 | 5)26-17)30-20-9-7-6-8-10-20)15-2 |
48f20 | 35 2d 32 39 2d 31 36 2d 31 38 2d 31 31 2d 31 33 2d 31 39 28 31 34 2d 31 32 2d 31 38 29 32 33 28 | 5-29-16-18-11-13-19(14-12-18)23( |
48f40 | 32 38 29 33 31 2d 32 34 28 32 2c 33 29 34 2f 68 36 2d 31 35 48 2c 31 36 48 32 2c 31 2d 35 48 33 | 28)31-24(2,3)4/h6-15H,16H2,1-5H3 |
48f60 | 00 00 ee 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 3c 04 77 61 72 6e 69 6e 67 73 | ......._id.V..6+r.5o..<.warnings |
48f80 | 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 00 c6 02 | .......fingerprints......MP2D... |
48fa0 | 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 00 32 | ...0.....9;1-1-2;2-2-3;..1.....2 |
48fc0 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 39 3b 32 2d 34 2d 33 3b 00 02 32 00 22 00 00 00 33 3b 31 2d 31 | ;1-2-3;1-1-9;2-4-3;..2."...3;1-1 |
48fe0 | 2d 32 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 33 30 3b 00 02 33 00 | -2;1-2-3;2-3-3;2-1-9;2-1-30;..3. |
49000 | 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 15 00 00 00 | ....3;1-2-3;2-1-2;2-2-3;..4..... |
49020 | 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 1c 00 00 00 33 3b 31 2d | 3;1-2-3;2-1-1;2-2-3;..5.....3;1- |
49040 | 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 36 00 1c 00 00 00 33 | 1-1;1-2-3;2-2-3;2-3-16;..6.....3 |
49060 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 37 00 28 00 | ;1-2-3;2-1-1;2-2-3;2-1-30;..7.(. |
49080 | 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 | ..3;1-2-3;1-1-30;2-1-1;2-1-2;2-2 |
490a0 | 2d 33 3b 32 2d 32 2d 39 3b 00 02 38 00 1c 00 00 00 33 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b | -3;2-2-9;..8.....30;1-1-1;1-1-3; |
490c0 | 31 2d 32 2d 39 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 | 1-2-9;2-2-3;..9.....9;1-1-30;2-1 |
490e0 | 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 30 00 16 00 00 00 31 3b 31 2d 31 2d 33 30 | -1;2-1-3;2-1-9;..10.....1;1-1-30 |
49100 | 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 31 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d | ;2-1-3;2-2-9;..11.....1;1-1-3;1- |
49120 | 33 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 31 32 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 | 3-16;2-2-3;..12.....16;1-1-1;2-1 |
49140 | 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 31 33 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 | -3;2-2-16;..13.(...3;1-1-2;1-2-3 |
49160 | 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 31 34 00 22 | ;2-1-1;2-1-3;2-2-9;2-1-11;..14." |
49180 | 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 31 2d 33 3b 32 2d | ...3;1-1-3;1-1-11;2-1-2;2-1-3;2- |
491a0 | 31 2d 39 3b 00 02 31 35 00 16 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 32 2d 32 2d | 1-9;..15.....11;1-1-3;1-1-9;2-2- |
491c0 | 33 3b 00 02 31 36 00 1c 00 00 00 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b | 3;..16.....9;1-1-3;1-1-11;2-1-1; |
491e0 | 32 2d 32 2d 33 3b 00 02 31 37 00 2e 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 | 2-2-3;..17.....3;1-1-1;1-1-3;1-1 |
49200 | 2d 39 3b 32 2d 32 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 38 | -9;2-2-1;2-1-2;2-1-3;2-1-11;..18 |
49220 | 00 21 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 31 2d 33 3b 32 | .!...1;1-2-1;1-1-3;2-2-1;2-1-3;2 |
49240 | 2d 31 2d 39 3b 00 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 | -1-9;..19.....1;1-2-1;2-2-1;2-1- |
49260 | 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed | 3;....dataset_ids......0.V..4+r. |
49280 | 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f | 5o....1.V..:+r.5o....2.V..:+r.5o |
492a0 | 00 01 c3 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 | ....3.V..<+r.5o....4.V..=+r.5o.. |
492c0 | c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 | ..5.V..>+r.5o....6.V..?+r.5o.... |
492e0 | 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 | 7.V..@+r.5o....8.V..A+r.5o....9. |
49300 | 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 | V..B+r.5o....10.V..C+r.5o.....fe |
49320 | 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 | atures./....56ba0c342b72ed356f00 |
49340 | 30 30 30 30 00 10 00 00 00 01 30 00 80 b3 57 69 8d 7f ac 3f 00 00 02 73 6d 69 6c 65 73 00 2e 00 | 0000......0...Wi...?...smiles... |
49360 | 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 |
49380 | 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 7a e8 bf c6 | )F)c1cnoc1C1CC1..updated_at.z... |
493a0 | 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 37 b4 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 | R....created_at.7...R....default |
493c0 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 14 00 00 00 02 69 6e 63 68 69 00 6e 00 00 | _fingerprint_size......inchi.n.. |
493e0 | 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, |
49400 | 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) |
49420 | 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 |
49440 | 34 2d 38 48 2c 32 2d 33 48 32 2c 31 48 33 00 00 47 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed | 4-8H,2-3H2,1H3..G...._id.V..6+r. |
49460 | 35 6f 00 01 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 | 5o..=.warnings.......fingerprint |
49480 | 73 00 34 02 00 00 04 4d 50 32 44 00 29 02 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 2d 32 38 3b | s.4....MP2D.)....0.....1;1-1-28; |
494a0 | 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 |
494c0 | 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 |
494e0 | 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..... |
49500 | 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 |
49520 | 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- |
49540 | 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 |
49560 | 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 |
49580 | 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;. |
495a0 | 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 |
495c0 | 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; |
495e0 | 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- |
49600 | 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."... |
49620 | 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 |
49640 | 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.... |
49660 | 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 |
49680 | 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; |
496a0 | 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 | 1-1-19;2-1-1;2-1-3;....dataset_i |
496c0 | 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed | ds......0.V..4+r.5o....1.V..9+r. |
496e0 | 35 6f 00 01 c1 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f | 5o....2.V..:+r.5o....3.V..;+r.5o |
49700 | 00 01 c4 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 | ....4.V..<+r.5o....5.V..=+r.5o.. |
49720 | c8 07 36 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 | ..6.V..>+r.5o....7.V..?+r.5o.... |
49740 | 38 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 39 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 30 | 8.V..@+r.5o....9.V..A+r.5o....10 |
49760 | 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 | .V..B+r.5o....11.V..B+r.5o....12 |
49780 | 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 | .V..C+r.5o.....features.:....56b |
497a0 | 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 36 2c e3 | a0c342b72ed356f000000......0.6,. |
497c0 | c8 c3 db aa 3f 01 31 00 98 04 f4 a6 c0 6d aa 3f 00 00 02 73 6d 69 6c 65 73 00 1f 00 00 00 43 4e | ....?.1......m.?...smiles.....CN |
497e0 | 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 |
49800 | 64 61 74 65 64 5f 61 74 00 74 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 3d b4 bf | dated_at.t...R....created_at.=.. |
49820 | c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0f | .R....default_fingerprint_size.. |
49840 | 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 |
49860 | 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 |
49880 | 37 2d 31 31 28 31 36 29 31 35 28 35 29 36 2f 68 31 2d 36 48 33 00 00 f2 02 00 00 07 5f 69 64 00 | 7-11(16)15(5)6/h1-6H3......._id. |
498a0 | 56 ba 0c 36 2b 72 ed 35 6f 00 01 3e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..6+r.5o..>.warnings.......fing |
498c0 | 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 0f 00 00 00 35 3b | erprints......MP2D......0.....5; |
498e0 | 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- |
49900 | 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- |
49920 | 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; |
49940 | 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;.. |
49960 | 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... |
49980 | 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; |
499a0 | 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 33 3b 00 02 37 00 0f 00 00 00 38 3b 31 2d 31 2d | 1-2-3;1-1-8;2-2-3;..7.....8;1-1- |
499c0 | 33 3b 32 2d 32 2d 33 3b 00 02 38 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d | 3;2-2-3;..8.....8;1-1-1;2-1-1;2- |
499e0 | 31 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b | 1-3;....dataset_ids......0.V..4+ |
49a00 | 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed | r.5o....1.V..:+r.5o....2.V..;+r. |
49a20 | 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f | 5o....3.V..<+r.5o....4.V..=+r.5o |
49a40 | 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 | ....5.V..>+r.5o....6.V..?+r.5o.. |
49a60 | cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 | ..7.V..@+r.5o....8.V..A+r.5o.... |
49a80 | 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 | 9.V..B+r.5o....10.V..C+r.5o..... |
49aa0 | 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 | features./....56ba0c342b72ed356f |
49ac0 | 30 30 30 30 30 30 00 10 00 00 00 01 30 00 f2 bd b3 8e 03 1d fa 3f 00 00 02 73 6d 69 6c 65 73 00 | 000000......0........?...smiles. |
49ae0 | 12 00 00 00 4e 43 43 28 63 31 63 63 63 28 63 63 31 29 4f 29 4f 00 09 75 70 64 61 74 65 64 5f 61 | ....NCC(c1ccc(cc1)O)O..updated_a |
49b00 | 74 00 e7 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 47 b4 bf c6 52 01 00 00 10 64 | t.....R....created_at.G...R....d |
49b20 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 09 00 00 00 02 69 6e 63 | efault_fingerprint_size......inc |
49b40 | 68 69 00 41 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 31 31 4e 4f 32 2f 63 39 2d 35 2d 38 28 | hi.A...InChI=1S/C8H11NO2/c9-5-8( |
49b60 | 31 31 29 36 2d 31 2d 33 2d 37 28 31 30 29 34 2d 32 2d 36 2f 68 31 2d 34 2c 38 2c 31 30 2d 31 31 | 11)6-1-3-7(10)4-2-6/h1-4,8,10-11 |
49b80 | 48 2c 35 2c 39 48 32 00 00 85 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 3f 04 77 | H,5,9H2......._id.V..6+r.5o..?.w |
49ba0 | 61 72 6e 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...... |
49bc0 | 4d 50 32 44 00 78 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 | MP2D.x....0.....1;1-1-8;2-1-1;.. |
49be0 | 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 31 3b 31 2d | 1.....8;1-2-1;2-1-2;..2."...1;1- |
49c00 | 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 3b 00 02 33 | 1-2;1-1-8;2-1-1;2-1-9;2-1-28;..3 |
49c20 | 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 31 2d 33 3b | .)...2;1-1-1;1-1-9;1-1-28;2-1-3; |
49c40 | 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 34 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 | 2-1-8;2-1-28;..4.....9;1-1-2;2-1 |
49c60 | 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 35 00 2f 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 | -1;2-1-28;..5./...28;1-1-2;1-1-3 |
49c80 | 3b 31 2d 31 2d 32 38 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 | ;1-1-28;2-2-1;2-1-2;2-2-3;2-1-9; |
49ca0 | 00 02 36 00 29 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 | ..6.)...3;1-2-3;1-1-28;2-2-1;2-1 |
49cc0 | 2d 32 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 31 2d 31 3b | -2;2-2-3;2-1-28;..7.....3;1-1-1; |
49ce0 | 31 2d 32 2d 33 3b 32 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 | 1-2-3;2-2-3;2-1-28;..8.....1;1-1 |
49d00 | 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 32 | -3;2-2-3;..9.....3;1-2-3;2-1-1;2 |
49d20 | 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 |
49d40 | 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 |
49d60 | 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 32 00 23 00 | ;2-1-2;2-1-3;2-1-8;2-1-9;..12.#. |
49d80 | 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 |
49da0 | 2d 32 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 32 | -28;..13.....1;1-1-1;1-1-8;2-1-2 |
49dc0 | 3b 32 2d 31 2d 32 38 3b 00 02 31 34 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 | ;2-1-28;..14."...8;1-1-1;1-1-2;2 |
49de0 | 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 35 00 23 00 00 00 32 3b 31 2d 31 | -1-1;2-1-9;2-1-28;..15.#...2;1-1 |
49e00 | 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 |
49e20 | 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 00 00 04 64 | 6.....9;1-1-2;2-1-8;2-1-28;....d |
49e40 | 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 | ataset_ids......0.V..4+r.5o....1 |
49e60 | 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 | .V..9+r.5o....2.V..;+r.5o....3.V |
49e80 | ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c | ..<+r.5o....4.V..=+r.5o....5.V.. |
49ea0 | 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b | >+r.5o....6.V..?+r.5o....7.V..@+ |
49ec0 | 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed | r.5o....8.V..A+r.5o....9.V..B+r. |
49ee0 | 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 | 5o....10.V..C+r.5o.....features. |
49f00 | 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 | /....56ba0c342b72ed356f000000... |
49f20 | 00 00 01 30 00 9b 74 a9 ea 17 ff c6 3f 00 00 02 73 6d 69 6c 65 73 00 21 00 00 00 43 4f 43 43 28 | ...0..t.....?...smiles.!...COCC( |
49f40 | 3d 4f 29 4e 28 63 31 63 28 43 29 63 63 63 63 31 43 29 4e 31 43 43 4f 43 31 3d 4f 00 09 75 70 64 | =O)N(c1c(C)cccc1C)N1CCOC1=O..upd |
49f60 | 61 74 65 64 5f 61 74 00 70 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 4d b4 bf c6 | ated_at.p...R....created_at.M... |
49f80 | 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 11 00 | R....default_fingerprint_size... |
49fa0 | 00 00 02 69 6e 63 68 69 00 60 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 38 4e 32 4f 34 | ...inchi.`...InChI=1S/C14H18N2O4 |
49fc0 | 2f 63 31 2d 31 30 2d 35 2d 34 2d 36 2d 31 31 28 32 29 31 33 28 31 30 29 31 36 28 31 32 28 31 37 | /c1-10-5-4-6-11(2)13(10)16(12(17 |
49fe0 | 29 39 2d 31 39 2d 33 29 31 35 2d 37 2d 38 2d 32 30 2d 31 34 28 31 35 29 31 38 2f 68 34 2d 36 48 | )9-19-3)15-7-8-20-14(15)18/h4-6H |
4a000 | 2c 37 2d 39 48 32 2c 31 2d 33 48 33 00 00 a0 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f | ,7-9H2,1-3H3......._id.V..6+r.5o |
4a020 | 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 73 00 | ..@.warnings.......fingerprints. |
4a040 | 74 02 00 00 04 4d 50 32 44 00 69 02 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 39 3b 32 2d | t....MP2D.i....0.....1;1-1-19;2- |
4a060 | 31 2d 33 3b 00 02 31 00 16 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | 1-3;..1.....19;1-1-1;1-1-3;2-2-3 |
4a080 | 3b 00 02 32 00 2a 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 | ;..2.*...3;1-2-3;1-1-19;2-1-1;2- |
4a0a0 | 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 35 3b 00 02 33 00 24 00 00 00 33 3b 31 2d 31 2d | 1-3;2-1-11;2-1-15;..3.$...3;1-1- |
4a0c0 | 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 31 39 3b 00 02 34 | 3;1-1-11;2-1-3;2-1-11;2-1-19;..4 |
4a0e0 | 00 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 35 00 1d | .....11;1-1-3;1-1-11;2-3-3;..5.. |
4a100 | 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 32 2d 31 2d 39 3b 00 | ...11;1-2-3;1-1-11;2-4-3;2-1-9;. |
4a120 | 02 36 00 2a 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 2d | .6.*...3;1-1-3;1-1-9;1-1-11;2-2- |
4a140 | 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 35 3b 00 02 37 00 16 00 00 00 39 3b 31 2d 31 2d 33 3b | 3;2-1-11;2-1-15;..7.....9;1-1-3; |
4a160 | 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 38 00 2a 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | 2-1-3;2-1-11;..8.*...3;1-2-3;1-1 |
4a180 | 2d 31 35 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 | -15;2-1-3;2-1-9;2-1-11;2-1-19;.. |
4a1a0 | 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 1d 00 00 00 33 3b | 9.....15;1-1-3;2-2-3;..10.....3; |
4a1c0 | 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 31 00 16 | 1-2-3;1-1-11;2-3-3;2-1-11;..11.. |
4a1e0 | 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 32 00 0f 00 00 | ...3;1-2-3;2-2-3;2-1-11;..12.... |
4a200 | 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 33 3b | .3;1-2-3;2-2-3;..13.....3;1-2-3; |
4a220 | 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 2d 32 | 2-1-1;2-2-3;..14.....3;1-1-1;1-2 |
4a240 | 2d 33 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 31 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 | -3;2-2-3;2-3-16;..15.....3;1-2-3 |
4a260 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 36 00 16 00 00 00 31 3b 31 | ;2-1-1;2-2-3;2-1-11;..16.....1;1 |
4a280 | 2d 31 2d 33 3b 31 2d 33 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 31 37 00 17 00 00 00 31 36 3b 31 2d | -1-3;1-3-16;2-2-3;..17.....16;1- |
4a2a0 | 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 | 1-1;2-1-3;2-2-16;....dataset_ids |
4a2c0 | 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f | ......0.V..4+r.5o....1.V..:+r.5o |
4a2e0 | 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 | ....2.V..;+r.5o....3.V..<+r.5o.. |
4a300 | c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 | ..4.V..=+r.5o....5.V..>+r.5o.... |
4a320 | 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 | 6.V..?+r.5o....7.V..@+r.5o....8. |
4a340 | 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 39 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 30 00 56 | V..A+r.5o....9.V..A+r.5o....10.V |
4a360 | ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 | ..B+r.5o....11.V..B+r.5o....12.V |
4a380 | ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 | ..C+r.5o.....features.:....56ba0 |
4a3a0 | 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 e6 39 7f 79 0f | c342b72ed356f000000......0..9.y. |
4a3c0 | 9d af 3f 01 31 00 7f 56 7d 0a 42 9a c5 3f 00 00 02 73 6d 69 6c 65 73 00 25 00 00 00 43 4e 63 31 | ..?.1..V}.B..?...smiles.%...CNc1 |
4a3e0 | 63 6e 6e 28 63 28 3d 4f 29 63 31 43 6c 29 63 31 63 63 63 63 28 63 31 29 43 28 46 29 28 46 29 46 | cnn(c(=O)c1Cl)c1cccc(c1)C(F)(F)F |
4a400 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 57 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.W...R....created_at |
4a420 | 00 53 b4 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | .S...R....default_fingerprint_si |
4a440 | 7a 65 00 12 00 00 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 39 | ze......inchi.[...InChI=1S/C12H9 |
4a460 | 43 6c 46 33 4e 33 4f 2f 63 31 2d 31 37 2d 39 2d 36 2d 31 38 2d 31 39 28 31 31 28 32 30 29 31 30 | ClF3N3O/c1-17-9-6-18-19(11(20)10 |
4a480 | 28 39 29 31 33 29 38 2d 34 2d 32 2d 33 2d 37 28 35 2d 38 29 31 32 28 31 34 2c 31 35 29 31 36 2f | (9)13)8-4-2-3-7(5-8)12(14,15)16/ |
4a4a0 | 68 32 2d 36 2c 31 37 48 2c 31 48 33 00 00 f8 03 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f | h2-6,17H,1H3......._id.V..6+r.5o |
4a4c0 | 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 6e 74 73 00 | ..A.warnings.......fingerprints. |
4a4e0 | e2 01 00 00 04 4d 50 32 44 00 d7 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 |
4a500 | 2d 31 3b 00 02 31 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 | -1;..1.....1;1-2-1;2-1-1;2-1-19; |
4a520 | 00 02 32 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 | ..2.....1;1-2-1;1-1-19;2-1-1;2-1 |
4a540 | 2d 33 3b 00 02 33 00 1c 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;..3.....19;1-1-1;1-1-3;2-2-1; |
4a560 | 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 2d 31 39 3b 32 2d 31 | 2-2-3;..4.#...3;1-2-3;1-1-19;2-1 |
4a580 | 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 3b 31 2d 32 2d 33 3b | -1;2-2-3;2-2-19;..5.*...3;1-2-3; |
4a5a0 | 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 32 | 1-1-19;2-2-3;2-1-9;2-1-19;2-1-32 |
4a5c0 | 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 33 3b 32 2d 31 | ;..6.....3;1-2-3;2-1-1;2-2-3;2-1 |
4a5e0 | 2d 31 39 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 33 2d 31 3b | -19;..7.....3;1-1-1;1-2-3;2-3-1; |
4a600 | 32 2d 32 2d 33 3b 00 02 38 00 1d 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 | 2-2-3;..8.....19;1-1-3;1-1-9;1-1 |
4a620 | 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 39 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 | -32;2-2-3;..9.....9;1-1-19;2-1-3 |
4a640 | 3b 32 2d 31 2d 33 32 3b 00 02 31 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 | ;2-1-32;..10.....32;1-1-19;2-1-3 |
4a660 | 3b 32 2d 31 2d 39 3b 00 02 31 31 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 33 3b 32 2d | ;2-1-9;..11.....1;1-3-1;1-1-3;2- |
4a680 | 32 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 | 2-3;..12.....1;1-1-1;2-2-1;2-1-3 |
4a6a0 | 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 31 39 3b 00 | ;..13.....1;1-1-1;2-1-1;2-1-19;. |
4a6c0 | 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 | ...dataset_ids......0.V..4+r.5o. |
4a6e0 | 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 | ...1.V..:+r.5o....2.V..;+r.5o... |
4a700 | 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 | .3.V..<+r.5o....4.V..=+r.5o....5 |
4a720 | 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 | .V..>+r.5o....6.V..?+r.5o....7.V |
4a740 | ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c | ..@+r.5o....8.V..A+r.5o....9.V.. |
4a760 | 42 2b 72 ed 35 6f 00 01 d1 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 | B+r.5o....10.V..C+r.5o.....featu |
4a780 | 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 | res./....56ba0c342b72ed356f00000 |
4a7a0 | 30 00 10 00 00 00 01 30 00 55 14 38 de 9c ab c5 3f 00 00 02 73 6d 69 6c 65 73 00 34 00 00 00 43 | 0......0.U.8....?...smiles.4...C |
4a7c0 | 43 43 28 4e 63 31 63 28 63 63 28 63 63 31 5b 4e 2b 5d 28 3d 4f 29 5b 4f 2d 5d 29 43 28 43 29 28 | CC(Nc1c(cc(cc1[N+](=O)[O-])C(C)( |
4a7e0 | 43 29 43 29 5b 4e 2b 5d 28 3d 4f 29 5b 4f 2d 5d 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 50 | C)C)[N+](=O)[O-])C..updated_at.P |
4a800 | ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 5a b4 bf c6 52 01 00 00 10 64 65 66 61 | ...R....created_at.Z...R....defa |
4a820 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0e 00 00 00 02 69 6e 63 68 69 00 | ult_fingerprint_size......inchi. |
4a840 | 61 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 32 31 4e 33 4f 34 2f 63 31 2d 36 2d 39 28 32 | a...InChI=1S/C14H21N3O4/c1-6-9(2 |
4a860 | 29 31 35 2d 31 33 2d 31 31 28 31 36 28 31 38 29 31 39 29 37 2d 31 30 28 31 34 28 33 2c 34 29 35 | )15-13-11(16(18)19)7-10(14(3,4)5 |
4a880 | 29 38 2d 31 32 28 31 33 29 31 37 28 32 30 29 32 31 2f 68 37 2d 39 2c 31 35 48 2c 36 48 32 2c 31 | )8-12(13)17(20)21/h7-9,15H,6H2,1 |
4a8a0 | 2d 35 48 33 00 00 8a 03 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 42 04 77 61 72 6e | -5H3......._id.V..6+r.5o..B.warn |
4a8c0 | 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 01 00 00 04 4d 50 32 | ings.......fingerprints......MP2 |
4a8e0 | 44 00 85 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......0.....15;1-1-3;2-2-3;..1. |
4a900 | 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.... |
4a920 | 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 16 00 00 00 33 3b | .3;1-2-3;2-2-3;2-1-15;..3.....3; |
4a940 | 31 2d 32 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 | 1-2-3;2-2-3;2-1-30;..4.....3;1-2 |
4a960 | 2d 33 3b 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 30 | -3;1-1-30;2-3-3;2-2-9;..5.....30 |
4a980 | 3b 31 2d 32 2d 33 3b 31 2d 32 2d 39 3b 32 2d 34 2d 33 3b 00 02 36 00 16 00 00 00 39 3b 31 2d 31 | ;1-2-3;1-2-9;2-4-3;..6.....9;1-1 |
4a9a0 | 2d 33 30 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 37 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b | -30;2-2-3;2-1-9;..7.#...3;1-2-3; |
4a9c0 | 31 2d 31 2d 33 30 3b 32 2d 33 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 35 3b 00 02 38 00 1d 00 | 1-1-30;2-3-3;2-2-9;2-1-15;..8... |
4a9e0 | 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 33 30 3b 00 02 | ..3;1-2-3;2-2-3;2-1-15;2-1-30;.. |
4aa00 | 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 2d 31 | 9.....3;1-2-3;1-1-15;2-2-3;2-1-1 |
4aa20 | 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; |
4aa40 | 00 02 31 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 | ..11.....3;1-2-3;1-1-15;2-2-3;2- |
4aa60 | 31 2d 33 30 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 | 1-30;....dataset_ids......0.V..4 |
4aa80 | 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 | +r.5o....1.V..:+r.5o....2.V..;+r |
4aaa0 | ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 | .5o....3.V..<+r.5o....4.V..=+r.5 |
4aac0 | 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 | o....5.V..>+r.5o....6.V..?+r.5o. |
4aae0 | 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 | ...7.V..@+r.5o....8.V..A+r.5o... |
4ab00 | 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 | .9.V..B+r.5o....10.V..C+r.5o.... |
4ab20 | 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 | .features./....56ba0c342b72ed356 |
4ab40 | 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 a0 6f c1 4d d0 ab e4 3f 00 00 02 73 6d 69 6c 65 73 | f000000......0..o.M...?...smiles |
4ab60 | 00 28 00 00 00 43 6c 63 31 63 63 63 28 63 63 31 29 53 28 3d 4f 29 28 3d 4f 29 63 31 63 63 28 43 | .(...Clc1ccc(cc1)S(=O)(=O)c1cc(C |
4ab80 | 6c 29 63 28 63 63 31 43 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 4f ea bf c6 52 01 00 | l)c(cc1Cl)Cl..updated_at.O...R.. |
4aba0 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 60 b4 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at.`...R....default_fi |
4abc0 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0c 00 00 00 02 69 6e 63 68 69 00 51 00 00 00 49 6e | ngerprint_size......inchi.Q...In |
4abe0 | 43 68 49 3d 31 53 2f 43 31 32 48 36 43 6c 34 4f 32 53 2f 63 31 33 2d 37 2d 31 2d 33 2d 38 28 34 | ChI=1S/C12H6Cl4O2S/c13-7-1-3-8(4 |
4ac00 | 2d 32 2d 37 29 31 39 28 31 37 2c 31 38 29 31 32 2d 36 2d 31 30 28 31 35 29 39 28 31 34 29 35 2d | -2-7)19(17,18)12-6-10(15)9(14)5- |
4ac20 | 31 31 28 31 32 29 31 36 2f 68 31 2d 36 48 00 00 27 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed | 11(12)16/h1-6H..'...._id.V..6+r. |
4ac40 | 35 6f 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 74 | 5o..C.warnings.......fingerprint |
4ac60 | 73 00 34 02 00 00 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 | s.4....MP2D.)....0.....1;1-1-1;2 |
4ac80 | 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 15 | -1-1;..1.....1;1-2-1;2-1-1;..2.. |
4aca0 | 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 33 00 1b 00 00 00 31 | ...1;1-2-1;2-1-1;2-1-3;..3.....1 |
4acc0 | 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.".. |
4ace0 | 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 39 3b 32 2d 32 2d 31 | .3;1-1-1;1-2-3;2-2-1;2-1-9;2-2-1 |
4ad00 | 31 3b 00 02 35 00 22 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 | 1;..5."...3;1-1-3;1-1-9;1-1-11;2 |
4ad20 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 16 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 | -1-1;2-2-3;..6.....9;1-1-3;2-1-3 |
4ad40 | 3b 32 2d 31 2d 31 31 3b 00 02 37 00 24 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 3b 32 | ;2-1-11;..7.$...11;1-2-3;2-1-3;2 |
4ad60 | 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 38 00 24 00 00 00 33 3b 31 2d 32 | -1-9;2-1-11;2-1-19;..8.$...3;1-2 |
4ad80 | 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 31 33 3b 00 02 | -11;1-1-19;2-1-1;2-2-3;2-1-13;.. |
4ada0 | 39 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 31 3b 32 2d 31 2d | 9.+...11;1-2-3;1-1-13;2-1-1;2-1- |
4adc0 | 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 11 00 00 00 31 33 3b 31 2d 31 2d | 3;2-1-11;2-1-19;..10.....13;1-1- |
4ade0 | 31 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 29 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b | 11;2-2-3;..11.)...3;1-1-1;1-1-3; |
4ae00 | 31 2d 31 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 31 32 00 16 | 1-1-11;2-1-1;2-2-3;2-1-13;..12.. |
4ae20 | 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 33 00 1d 00 00 | ...1;1-1-3;2-1-3;2-1-11;..13.... |
4ae40 | 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 31 31 3b 00 02 31 | .19;1-1-1;1-1-3;2-1-1;2-2-11;..1 |
4ae60 | 34 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 31 35 00 | 4.....1;1-1-1;1-1-19;2-1-3;..15. |
4ae80 | 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 39 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 | ....1;1-1-1;2-1-19;....dataset_i |
4aea0 | 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed | ds......0.V..4+r.5o....1.V..:+r. |
4aec0 | 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f | 5o....2.V..;+r.5o....3.V..<+r.5o |
4aee0 | 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 | ....4.V..=+r.5o....5.V..>+r.5o.. |
4af00 | ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 | ..6.V..?+r.5o....7.V..@+r.5o.... |
4af20 | 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 | 8.V..A+r.5o....9.V..B+r.5o....10 |
4af40 | 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 | .V..C+r.5o.....features./....56b |
4af60 | 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 cf dd 94 | a0c342b72ed356f000000......0.... |
4af80 | d6 71 94 be 3f 00 00 02 73 6d 69 6c 65 73 00 1a 00 00 00 43 43 43 43 63 31 63 28 3d 4f 29 6e 63 | .q..?...smiles.....CCCCc1c(=O)nc |
4afa0 | 28 5b 6e 48 5d 63 31 43 29 4e 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 c2 e9 bf c6 52 01 00 | ([nH]c1C)NCC..updated_at.....R.. |
4afc0 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 66 b4 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at.f...R....default_fi |
4afe0 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 10 00 00 00 02 69 6e 63 68 69 00 58 00 00 00 49 6e | ngerprint_size......inchi.X...In |
4b000 | 43 68 49 3d 31 53 2f 43 31 31 48 31 39 4e 33 4f 2f 63 31 2d 34 2d 36 2d 37 2d 39 2d 38 28 33 29 | ChI=1S/C11H19N3O/c1-4-6-7-9-8(3) |
4b020 | 31 33 2d 31 31 28 31 32 2d 35 2d 32 29 31 34 2d 31 30 28 39 29 31 35 2f 68 34 2d 37 48 32 2c 31 | 13-11(12-5-2)14-10(9)15/h4-7H2,1 |
4b040 | 2d 33 48 33 2c 28 48 32 2c 31 32 2c 31 33 2c 31 34 2c 31 35 29 00 00 19 04 00 00 07 5f 69 64 00 | -3H3,(H2,12,13,14,15)......._id. |
4b060 | 56 ba 0c 36 2b 72 ed 35 6f 00 01 44 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..6+r.5o..D.warnings.......fing |
4b080 | 65 72 70 72 69 6e 74 73 00 ff 01 00 00 04 4d 50 32 44 00 f4 01 00 00 02 30 00 10 00 00 00 31 3b | erprints......MP2D......0.....1; |
4b0a0 | 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 2d 31 | 1-1-1;2-1-19;..1.....1;1-1-1;1-1 |
4b0c0 | 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 00 22 00 00 00 31 39 3b 31 2d 32 2d 31 | -19;2-1-1;2-1-3;..2."...19;1-2-1 |
4b0e0 | 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 02 33 00 23 00 00 | ;1-1-3;2-1-1;2-1-2;2-2-3;..3.#.. |
4b100 | 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- |
4b120 | 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 3b | 19;..4.#...3;1-2-3;1-1-19;2-2-3; |
4b140 | 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 31 | 2-2-9;2-1-19;..5.....3;1-2-3;2-1 |
4b160 | 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 3b | -1;2-2-3;2-1-19;..6.....3;1-1-1; |
4b180 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 37 00 16 00 00 00 31 39 3b 31 2d | 1-2-3;2-2-3;2-3-16;..7.....19;1- |
4b1a0 | 31 2d 33 3b 31 2d 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 | 1-3;1-2-9;2-2-3;..8.....9;1-1-19 |
4b1c0 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 39 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 | ;2-1-3;2-1-9;..9.....1;1-1-3;1-3 |
4b1e0 | 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 31 30 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d | -16;2-2-3;..10.....16;1-1-1;2-1- |
4b200 | 33 3b 32 2d 32 2d 31 36 3b 00 02 31 31 00 22 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 39 | 3;2-2-16;..11."...1;1-1-2;1-1-19 |
4b220 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 32 00 16 00 00 00 32 3b 31 2d | ;2-2-1;2-1-2;2-1-3;..12.....2;1- |
4b240 | 32 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 39 3b 00 02 31 33 00 0f 00 00 00 32 3b 31 2d 31 2d | 2-1;1-1-2;2-1-19;..13.....2;1-1- |
4b260 | 32 3b 32 2d 32 2d 31 3b 00 02 31 34 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 | 2;2-2-1;..14.....1;1-1-2;2-1-1;2 |
4b280 | 2d 31 2d 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 | -1-2;....dataset_ids......0.V..4 |
4b2a0 | 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 | +r.5o....1.V..:+r.5o....2.V..;+r |
4b2c0 | ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 | .5o....3.V..<+r.5o....4.V..=+r.5 |
4b2e0 | 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 | o....5.V..>+r.5o....6.V..?+r.5o. |
4b300 | 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 | ...7.V..@+r.5o....8.V..A+r.5o... |
4b320 | 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 | .9.V..B+r.5o....10.V..C+r.5o.... |
4b340 | 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 | .features./....56ba0c342b72ed356 |
4b360 | 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 d3 c8 0c 1d 3c 34 a3 3f 00 00 02 73 6d 69 6c 65 73 | f000000......0.....<4.?...smiles |
4b380 | 00 2f 00 00 00 43 43 4e 28 63 31 63 28 63 63 28 63 63 31 4e 28 3d 4f 29 3d 4f 29 43 28 46 29 28 | ./...CCN(c1c(cc(cc1N(=O)=O)C(F)( |
4b3a0 | 46 29 46 29 4e 28 3d 4f 29 3d 4f 29 43 43 28 3d 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 | F)F)N(=O)=O)CC(=C)C..updated_at. |
4b3c0 | f0 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 70 b4 bf c6 52 01 00 00 10 64 65 66 | ....R....created_at.p...R....def |
4b3e0 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0f 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
4b400 | 00 6a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 33 48 31 34 46 33 4e 33 4f 34 2f 63 31 2d 34 2d | .j...InChI=1S/C13H14F3N3O4/c1-4- |
4b420 | 31 37 28 37 2d 38 28 32 29 33 29 31 32 2d 31 30 28 31 38 28 32 30 29 32 31 29 35 2d 39 28 31 33 | 17(7-8(2)3)12-10(18(20)21)5-9(13 |
4b440 | 28 31 34 2c 31 35 29 31 36 29 36 2d 31 31 28 31 32 29 31 39 28 32 32 29 32 33 2f 68 35 2d 36 48 | (14,15)16)6-11(12)19(22)23/h5-6H |
4b460 | 2c 32 2c 34 2c 37 48 32 2c 31 2c 33 48 33 00 00 3b 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed | ,2,4,7H2,1,3H3..;...._id.V..6+r. |
4b480 | 35 6f 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 74 | 5o..E.warnings.......fingerprint |
4b4a0 | 73 00 0f 02 00 00 04 4d 50 32 44 00 04 02 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; |
4b4c0 | 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 |
4b4e0 | 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 35 3b | -3;..2.....3;1-2-3;2-2-3;2-1-15; |
4b500 | 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 02 34 00 | ..3.....3;1-2-3;2-1-1;2-2-3;..4. |
4b520 | 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 32 38 3b 00 | ....3;1-1-1;1-2-3;2-2-3;2-1-28;. |
4b540 | 02 35 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 3b 32 2d 31 2d | .5."...1;1-1-3;1-1-28;2-1-1;2-1- |
4b560 | 32 3b 32 2d 32 2d 33 3b 00 02 36 00 29 00 00 00 32 38 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 | 2;2-2-3;..6.)...28;1-2-1;1-1-2;2 |
4b580 | 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 37 00 1c 00 00 00 | -2-1;2-1-3;2-1-9;2-1-28;..7..... |
4b5a0 | 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 38 00 10 | 2;1-1-9;1-2-28;2-2-1;2-1-3;..8.. |
4b5c0 | 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 39 00 23 00 00 00 32 38 3b 31 2d 31 | ...9;1-1-2;2-2-28;..9.#...28;1-1 |
4b5e0 | 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 30 | -2;1-1-3;2-2-3;2-1-9;2-1-28;..10 |
4b600 | 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 33 3b | .....3;1-2-3;1-1-28;2-1-2;2-2-3; |
4b620 | 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 32 38 3b 00 02 | ..11.....3;1-2-3;2-2-3;2-1-28;.. |
4b640 | 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 1c 00 00 00 31 3b | 12.....3;1-2-3;2-2-3;..13.....1; |
4b660 | 31 2d 32 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 34 00 16 00 | 1-2-1;1-1-28;2-3-1;2-1-2;..14... |
4b680 | 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 35 00 0f 00 00 00 | ..1;1-2-1;2-2-1;2-1-28;..15..... |
4b6a0 | 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 | 1;1-2-1;2-2-1;....dataset_ids... |
4b6c0 | 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 | ...0.V..4+r.5o....1.V..:+r.5o... |
4b6e0 | 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 | .2.V..;+r.5o....3.V..<+r.5o....4 |
4b700 | 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 | .V..=+r.5o....5.V..>+r.5o....6.V |
4b720 | ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c | ..?+r.5o....7.V..@+r.5o....8.V.. |
4b740 | 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 30 00 56 ba 0c 43 | A+r.5o....9.V..B+r.5o....10.V..C |
4b760 | 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 | +r.5o.....features./....56ba0c34 |
4b780 | 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 8e e3 b6 de 6c 76 b3 3f | 2b72ed356f000000......0.....lv.? |
4b7a0 | 00 00 02 73 6d 69 6c 65 73 00 26 00 00 00 43 6c 63 31 63 63 63 28 63 63 31 29 43 4e 28 43 28 3d | ...smiles.&...Clc1ccc(cc1)CN(C(= |
4b7c0 | 4f 29 4e 63 31 63 63 63 63 63 31 29 43 31 43 43 43 43 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 | O)Nc1ccccc1)C1CCCC1..updated_at. |
4b7e0 | 72 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 76 b4 bf c6 52 01 00 00 10 64 65 66 | r...R....created_at.v...R....def |
4b800 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 10 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
4b820 | 00 85 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 39 48 32 31 43 6c 4e 32 4f 2f 63 32 30 2d 31 36 | .....InChI=1S/C19H21ClN2O/c20-16 |
4b840 | 2d 31 32 2d 31 30 2d 31 35 28 31 31 2d 31 33 2d 31 36 29 31 34 2d 32 32 28 31 38 2d 38 2d 34 2d | -12-10-15(11-13-16)14-22(18-8-4- |
4b860 | 35 2d 39 2d 31 38 29 31 39 28 32 33 29 32 31 2d 31 37 2d 36 2d 32 2d 31 2d 33 2d 37 2d 31 37 2f | 5-9-18)19(23)21-17-6-2-1-3-7-17/ |
4b880 | 68 31 2d 33 2c 36 2d 37 2c 31 30 2d 31 33 2c 31 38 48 2c 34 2d 35 2c 38 2d 39 2c 31 34 48 32 2c | h1-3,6-7,10-13,18H,4-5,8-9,14H2, |
4b8a0 | 28 48 2c 32 31 2c 32 33 29 00 00 7a 05 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 46 | (H,21,23)..z...._id.V..6+r.5o..F |
4b8c0 | 04 77 61 72 6e 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 00 | .warnings.......fingerprints.<.. |
4b8e0 | 00 04 4d 50 32 44 00 31 03 00 00 02 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 | ..MP2D.1....0.....15;1-1-3;2-2-3 |
4b900 | 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 33 3b 32 2d | ;..1.....3;1-2-3;1-1-15;2-2-3;2- |
4b920 | 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 32 2d 33 3b | 1-8;..2.....3;1-2-3;2-1-1;2-2-3; |
4b940 | 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 3b 32 2d 32 | 2-1-15;..3.....3;1-1-1;1-2-3;2-2 |
4b960 | 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 31 2d 31 3b | -3;2-3-16;..4.....3;1-2-3;2-1-1; |
4b980 | 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- |
4b9a0 | 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 33 3b 32 2d | 8;..6.....3;1-2-3;1-1-8;2-3-3;2- |
4b9c0 | 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 02 38 00 15 | 1-15;..7.....8;1-2-3;2-4-3;..8.. |
4b9e0 | 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 16 00 00 00 33 | ...3;1-2-3;1-1-8;2-3-3;..9.....3 |
4ba00 | 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 29 00 00 00 33 3b 31 | ;1-2-3;2-2-3;2-1-19;..10.)...3;1 |
4ba20 | 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 32 2d | -2-3;1-1-19;2-1-2;2-2-3;2-1-9;2- |
4ba40 | 31 2d 33 32 3b 00 02 31 31 00 29 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 32 2d | 1-32;..11.)...3;1-1-2;1-2-3;2-2- |
4ba60 | 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 1b 00 00 00 33 | 3;2-1-9;2-1-19;2-1-28;..12.....3 |
4ba80 | 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 33 00 23 00 | ;1-2-3;2-1-2;2-2-3;2-1-8;..13.#. |
4baa0 | 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 33 3b 32 2d 31 | ..2;1-1-3;1-1-9;1-1-28;2-2-3;2-1 |
4bac0 | 2d 33 30 3b 00 02 31 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 | -30;..14.....9;1-1-2;2-1-3;2-1-2 |
4bae0 | 38 3b 00 02 31 35 00 23 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 31 | 8;..15.#...28;1-1-2;1-1-30;2-1-1 |
4bb00 | 3b 32 2d 31 2d 33 3b 32 2d 33 2d 39 3b 00 02 31 36 00 1d 00 00 00 33 30 3b 31 2d 31 2d 31 3b 31 | ;2-1-3;2-3-9;..16.....30;1-1-1;1 |
4bb20 | 2d 32 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 00 02 31 37 00 1d 00 00 00 39 3b 31 2d 31 | -2-9;1-1-28;2-1-2;..17.....9;1-1 |
4bb40 | 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 38 00 17 00 00 00 | -30;2-1-1;2-1-9;2-1-28;..18..... |
4bb60 | 31 3b 31 2d 31 2d 33 30 3b 32 2d 32 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 39 00 1d 00 00 00 31 | 1;1-1-30;2-2-9;2-1-28;..19.....1 |
4bb80 | 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 30 00 | 9;1-1-3;1-1-9;1-1-32;2-2-3;..20. |
4bba0 | 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 32 31 00 17 | ....9;1-1-19;2-1-3;2-1-32;..21.. |
4bbc0 | 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 32 32 00 16 00 | ...32;1-1-19;2-1-3;2-1-9;..22... |
4bbe0 | 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 00 | ..1;1-1-3;1-3-16;2-2-3;..23..... |
4bc00 | 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 04 64 61 74 61 73 65 | 16;1-1-1;2-1-3;2-2-16;....datase |
4bc20 | 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 | t_ids......0.V..4+r.5o....1.V..9 |
4bc40 | 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 | +r.5o....2.V..;+r.5o....3.V..<+r |
4bc60 | ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 | .5o....4.V..=+r.5o....5.V..>+r.5 |
4bc80 | 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 | o....6.V..?+r.5o....7.V..@+r.5o. |
4bca0 | 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 | ...8.V..A+r.5o....9.V..B+r.5o... |
4bcc0 | 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 | .10.V..C+r.5o.....features./.... |
4bce0 | 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 | 56ba0c342b72ed356f000000......0. |
4bd00 | 87 6f f6 30 45 2c bd 3f 00 00 02 73 6d 69 6c 65 73 00 3e 00 00 00 43 6c 63 31 63 63 28 63 63 63 | .o.0E,.?...smiles.>...Clc1cc(ccc |
4bd20 | 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 4f 29 43 29 5b 4e | 1Oc1ccc(c(c1)C(=O)NS(=O)(=O)C)[N |
4bd40 | 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 65 64 5f 61 74 00 | +](=O)[O-])C(F)(F)F..updated_at. |
4bd60 | 55 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 7d b4 bf c6 52 01 00 00 10 64 65 66 | U...R....created_at.}...R....def |
4bd80 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 18 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
4bda0 | 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 4f 36 53 2f 63 31 | .....InChI=1S/C15H10ClF3N2O6S/c1 |
4bdc0 | 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 33 2d 34 2d 31 32 | -28(25,26)20-14(22)10-7-9(3-4-12 |
4bde0 | 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 2d 31 31 28 31 33 | (10)21(23)24)27-13-5-2-8(6-11(13 |
4be00 | 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 28 48 2c 32 30 2c | )16)15(17,18)19/h2-7H,1H3,(H,20, |
4be20 | 32 32 29 00 00 02 05 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 47 04 77 61 72 6e 69 | 22)......._id.V..6+r.5o..G.warni |
4be40 | 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 e3 02 00 00 04 4d 50 32 44 | ngs.......fingerprints......MP2D |
4be60 | 00 d8 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 | ......0.....1;1-1-1;2-1-8;..1... |
4be80 | 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; |
4bea0 | 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.!... |
4bec0 | 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; |
4bee0 | 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. |
4bf00 | 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 2d | '...1;1-1-1;1-1-2;1-1-8;2-1-3;2- |
4bf20 | 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 3b | 1-8;2-1-9;..6.!...8;1-1-1;1-1-3; |
4bf40 | 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 2d | 2-1-1;2-1-2;2-2-3;..7.....3;1-2- |
4bf60 | 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 2d | 3;1-1-8;2-1-1;2-2-3;..8.....3;1- |
4bf80 | 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 3b | 2-3;2-2-3;2-1-8;..9.....3;1-2-3; |
4bfa0 | 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 31 30 00 1c 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 32 | 1-1-8;2-3-3;..10.....8;1-2-3;2-2 |
4bfc0 | 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 2d 31 2d 38 | -3;2-1-9;2-1-11;..11.....3;1-1-8 |
4bfe0 | 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 00 02 31 32 00 1c 00 00 00 31 31 3b | ;1-1-9;1-1-11;2-3-3;..12.....11; |
4c000 | 31 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 33 00 1c 00 00 | 1-2-3;2-2-3;2-1-8;2-1-9;..13.... |
4c020 | 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 39 3b 00 02 31 34 | .3;1-2-3;1-1-11;2-3-3;2-1-9;..14 |
4c040 | 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 3b | .....3;1-2-3;1-1-9;2-3-3;2-1-11; |
4c060 | 00 02 31 35 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 | ..15.....9;1-2-3;2-2-3;2-1-8;2-1 |
4c080 | 2d 31 31 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 | -11;..16.....3;1-2-3;2-2-3;2-1-9 |
4c0a0 | 3b 32 2d 31 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 | ;2-1-15;..17.....3;1-2-3;1-1-15; |
4c0c0 | 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 32 2d 33 3b 32 2d 31 | 2-2-3;..18.....3;1-2-3;2-2-3;2-1 |
4c0e0 | 2d 31 35 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 31 2d 31 | -15;..19.....3;1-2-3;2-2-3;2-1-1 |
4c100 | 31 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 00 02 32 31 00 15 | 1;..20.....15;1-1-3;2-2-3;..21.. |
4c120 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 00 00 04 64 61 74 61 73 | ...1;1-1-1;2-1-2;2-1-8;....datas |
4c140 | 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c | et_ids......0.V..4+r.5o....1.V.. |
4c160 | 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b | :+r.5o....2.V..;+r.5o....3.V..<+ |
4c180 | 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed | r.5o....4.V..=+r.5o....5.V..=+r. |
4c1a0 | 35 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f | 5o....6.V..?+r.5o....7.V..@+r.5o |
4c1c0 | 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 | ....8.V..A+r.5o....9.V..B+r.5o.. |
4c1e0 | d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 | ..10.V..C+r.5o.....features./... |
4c200 | 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 | .56ba0c342b72ed356f000000......0 |
4c220 | 00 c6 f2 15 e7 6b 79 99 3f 00 00 02 73 6d 69 6c 65 73 00 2c 00 00 00 43 43 4f 43 28 3d 4f 29 43 | .....ky.?...smiles.,...CCOC(=O)C |
4c240 | 28 4f 63 31 63 63 63 28 63 63 31 29 4f 63 31 6e 63 32 63 28 6f 31 29 63 63 28 63 63 32 29 43 6c | (Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl |
4c260 | 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 70 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f | )C..updated_at.p...R....created_ |
4c280 | 61 74 00 84 b4 bf c6 52 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.....R....default_fingerprint_ |
4c2a0 | 73 69 7a 65 00 16 00 00 00 02 69 6e 63 68 69 00 72 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 38 | size......inchi.r...InChI=1S/C18 |
4c2c0 | 48 31 36 43 6c 4e 4f 35 2f 63 31 2d 33 2d 32 32 2d 31 37 28 32 31 29 31 31 28 32 29 32 33 2d 31 | H16ClNO5/c1-3-22-17(21)11(2)23-1 |
4c2e0 | 33 2d 35 2d 37 2d 31 34 28 38 2d 36 2d 31 33 29 32 34 2d 31 38 2d 32 30 2d 31 35 2d 39 2d 34 2d | 3-5-7-14(8-6-13)24-18-20-15-9-4- |
4c300 | 31 32 28 31 39 29 31 30 2d 31 36 28 31 35 29 32 35 2d 31 38 2f 68 34 2d 31 31 48 2c 33 48 32 2c | 12(19)10-16(15)25-18/h4-11H,3H2, |
4c320 | 31 2d 32 48 33 00 00 21 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 48 04 77 61 72 | 1-2H3..!...._id.V..6+r.5o..H.war |
4c340 | 6e 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 02 00 00 04 4d 50 | nings.......fingerprints......MP |
4c360 | 32 44 00 05 02 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 |
4c380 | 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 |
4c3a0 | 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- |
4c3c0 | 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 |
4c3e0 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 34 00 2f 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 |
4c400 | 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 32 2d 31 | -1-2;1-1-3;2-1-1;2-2-3;2-1-9;2-1 |
4c420 | 2d 32 38 3b 00 02 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 | -28;..5."...3;1-2-3;1-1-28;2-3-1 |
4c440 | 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 36 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 | ;2-1-2;2-2-3;..6."...3;1-1-1;1-2 |
4c460 | 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 37 00 15 00 00 00 31 3b | -3;2-1-1;2-2-3;2-1-28;..7.....1; |
4c480 | 31 2d 31 2d 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 2d 31 2d | 1-1-1;1-1-3;2-2-3;..8.....1;1-1- |
4c4a0 | 31 3b 32 2d 31 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 | 1;2-1-3;..9.....3;1-2-3;2-1-1;2- |
4c4c0 | 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 00 | 2-3;..10.....3;1-2-3;2-2-3;..11. |
4c4e0 | 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 00 02 31 32 00 23 00 | ....1;1-2-28;2-2-2;2-1-3;..12.#. |
4c500 | 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 39 3b 32 2d 31 | ..28;1-1-1;1-1-2;2-1-1;2-1-9;2-1 |
4c520 | 2d 32 38 3b 00 02 31 33 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 | -28;..13.....2;1-1-1;1-1-9;1-1-2 |
4c540 | 38 3b 32 2d 31 2d 31 3b 00 02 31 34 00 16 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 | 8;2-1-1;..14.....1;1-1-2;2-1-9;2 |
4c560 | 2d 31 2d 32 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c | -1-28;....dataset_ids......0.V.. |
4c580 | 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b | 4+r.5o....1.V..:+r.5o....2.V..;+ |
4c5a0 | 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed | r.5o....3.V..<+r.5o....4.V..=+r. |
4c5c0 | 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f | 5o....5.V..>+r.5o....6.V..?+r.5o |
4c5e0 | 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 | ....7.V..@+r.5o....8.V..A+r.5o.. |
4c600 | d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 | ..9.V..B+r.5o....10.V..C+r.5o... |
4c620 | 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 | ..features./....56ba0c342b72ed35 |
4c640 | 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 e3 cb b1 ff 71 f4 ca 3f 00 00 02 73 6d 69 6c 65 | 6f000000......0.....q..?...smile |
4c660 | 73 00 22 00 00 00 43 6c 43 43 28 3d 4f 29 4e 28 63 31 63 28 43 43 29 63 63 63 63 31 43 43 29 43 | s."...ClCC(=O)N(c1c(CC)cccc1CC)C |
4c680 | 4e 43 28 3d 4f 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 58 ea bf c6 52 01 00 00 09 63 72 65 | NC(=O)C..updated_at.X...R....cre |
4c6a0 | 61 74 65 64 5f 61 74 00 8a b4 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at.....R....default_fingerp |
4c6c0 | 72 69 6e 74 5f 73 69 7a 65 00 0f 00 00 00 02 69 6e 63 68 69 00 6e 00 00 00 49 6e 43 68 49 3d 31 | rint_size......inchi.n...InChI=1 |
4c6e0 | 53 2f 43 31 35 48 32 31 43 6c 4e 32 4f 32 2f 63 31 2d 34 2d 31 32 2d 37 2d 36 2d 38 2d 31 33 28 | S/C15H21ClN2O2/c1-4-12-7-6-8-13( |
4c700 | 35 2d 32 29 31 35 28 31 32 29 31 38 28 31 34 28 32 30 29 39 2d 31 36 29 31 30 2d 31 37 2d 31 31 | 5-2)15(12)18(14(20)9-16)10-17-11 |
4c720 | 28 33 29 31 39 2f 68 36 2d 38 48 2c 34 2d 35 2c 39 2d 31 30 48 32 2c 31 2d 33 48 33 2c 28 48 2c | (3)19/h6-8H,4-5,9-10H2,1-3H3,(H, |
4c740 | 31 37 2c 31 39 29 00 00 77 03 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 49 04 77 61 | 17,19)..w...._id.V..6+r.5o..I.wa |
4c760 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 79 01 00 00 04 4d | rnings.......fingerprints.y....M |
4c780 | 50 32 44 00 6e 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 | P2D.n....0.....19;1-1-33;2-2-19; |
4c7a0 | 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..... |
4c7c0 | 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 |
4c7e0 | 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 |
4c800 | 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;.. |
4c820 | 35 00 0f 00 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 | 5.....1;1-2-1;2-2-1;..6.....1;1- |
4c840 | 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 37 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b | 2-1;2-1-1;2-1-8;..7.....1;1-1-1; |
4c860 | 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 38 00 1b 00 00 00 38 3b 31 2d 31 2d | 1-1-8;2-1-1;2-1-2;..8.....8;1-1- |
4c880 | 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 02 39 00 1b 00 00 00 32 3b 31 2d | 1;1-1-2;2-2-1;2-1-9;..9.....2;1- |
4c8a0 | 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 00 02 31 30 00 15 00 00 00 39 | 1-1;1-1-8;1-1-9;2-1-1;..10.....9 |
4c8c0 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 31 00 15 00 00 00 31 3b 31 2d | ;1-1-2;2-1-1;2-1-8;..11.....1;1- |
4c8e0 | 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 | 1-2;2-1-8;2-1-9;....dataset_ids. |
4c900 | ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 | .....0.V..4+r.5o....1.V..:+r.5o. |
4c920 | 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 | ...2.V..;+r.5o....3.V..<+r.5o... |
4c940 | 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 | .4.V..=+r.5o....5.V..>+r.5o....6 |
4c960 | 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 | .V..?+r.5o....7.V..@+r.5o....8.V |
4c980 | ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 30 00 56 ba | ..A+r.5o....9.V..B+r.5o....10.V. |
4c9a0 | 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 | .C+r.5o.....features./....56ba0c |
4c9c0 | 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 65 82 ba 1e a2 02 | 342b72ed356f000000......0.e..... |
4c9e0 | ba 3f 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 | .?...smiles.....NC(=N)NCCCCCCCCC |
4ca00 | 43 43 43 4f 43 28 3d 4f 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 5d ea bf c6 52 01 00 00 09 | CCCOC(=O)C..updated_at.]...R.... |
4ca20 | 63 72 65 61 74 65 64 5f 61 74 00 90 b4 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at.....R....default_fing |
4ca40 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0c 00 00 00 02 69 6e 63 68 69 00 62 00 00 00 49 6e 43 68 | erprint_size......inchi.b...InCh |
4ca60 | 49 3d 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 | I=1S/C15H31N3O2/c1-14(19)20-13-1 |
4ca80 | 31 2d 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 | 1-9-7-5-3-2-4-6-8-10-12-18-15(16 |
4caa0 | 29 31 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 08 | )17/h2-13H2,1H3,(H4,16,17,18)... |
4cac0 | 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 4a 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..6+r.5o..J.warnings... |
4cae0 | 00 00 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 | ....fingerprints......MP2D...... |
4cb00 | 30 00 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 | 0.....15;1-1-1;2-1-4;..1.....1;1 |
4cb20 | 2d 31 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 | -1-4;1-1-15;2-1-4;..2.....4;1-1- |
4cb40 | 31 3b 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 | 1;1-1-4;2-1-1;2-1-15;..3.....4;1 |
4cb60 | 2d 31 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 | -1-1;1-1-4;2-1-1;2-1-8;..4.....1 |
4cb80 | 3b 31 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 | ;1-1-4;1-1-8;2-1-2;2-1-4;..5.".. |
4cba0 | 00 38 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 | .8;1-1-1;1-1-2;2-1-4;2-1-9;2-1-2 |
4cbc0 | 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 32 38 3b 32 | 8;..6."...2;1-1-8;1-1-9;1-1-28;2 |
4cbe0 | 2d 31 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 | -1-1;2-1-3;..7.....9;1-1-2;2-1-8 |
4cc00 | 3b 32 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 | ;2-1-28;..8."...28;1-1-2;1-1-3;2 |
4cc20 | 2d 32 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 | -2-3;2-1-8;2-1-9;..9.....3;1-2-3 |
4cc40 | 3b 31 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 | ;1-1-28;2-1-2;2-2-3;..10.....3;1 |
4cc60 | 2d 32 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 | -2-3;2-2-3;2-1-28;..11.....3;1-2 |
4cc80 | 2d 33 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 | -3;2-2-3;..12.....3;1-2-3;2-2-3; |
4cca0 | 32 2d 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 | 2-1-15;..13.....3;1-2-3;1-1-15;2 |
4ccc0 | 2d 32 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 | -2-3;..14.....3;1-2-3;2-2-3;2-1- |
4cce0 | 31 35 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 | 15;2-1-28;..15.....15;1-1-3;2-2- |
4cd00 | 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed | 3;....dataset_ids......0.V..4+r. |
4cd20 | 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f | 5o....1.V..:+r.5o....2.V..:+r.5o |
4cd40 | 00 01 c3 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 | ....3.V..<+r.5o....4.V..=+r.5o.. |
4cd60 | c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 | ..5.V..>+r.5o....6.V..?+r.5o.... |
4cd80 | 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 | 7.V..@+r.5o....8.V..A+r.5o....9. |
4cda0 | 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 | V..B+r.5o....10.V..C+r.5o.....fe |
4cdc0 | 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 | atures./....56ba0c342b72ed356f00 |
4cde0 | 30 30 30 30 00 10 00 00 00 01 30 00 70 33 dc 58 66 e5 fb 3f 00 00 02 73 6d 69 6c 65 73 00 1b 00 | 0000......0.p3.Xf..?...smiles... |
4ce00 | 00 00 43 6c 43 43 23 43 43 4f 43 28 3d 4f 29 4e 63 31 63 63 63 63 28 63 31 29 43 6c 00 09 75 70 | ..ClCC#CCOC(=O)Nc1cccc(c1)Cl..up |
4ce20 | 64 61 74 65 64 5f 61 74 00 c8 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 96 b4 bf | dated_at.....R....created_at.... |
4ce40 | c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 10 | .R....default_fingerprint_size.. |
4ce60 | 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 31 48 39 43 6c 32 4e | ....inchi.X...InChI=1S/C11H9Cl2N |
4ce80 | 4f 32 2f 63 31 32 2d 36 2d 31 2d 32 2d 37 2d 31 36 2d 31 31 28 31 35 29 31 34 2d 31 30 2d 35 2d | O2/c12-6-1-2-7-16-11(15)14-10-5- |
4cea0 | 33 2d 34 2d 39 28 31 33 29 38 2d 31 30 2f 68 33 2d 35 2c 38 48 2c 36 2d 37 48 32 2c 28 48 2c 31 | 3-4-9(13)8-10/h3-5,8H,6-7H2,(H,1 |
4cec0 | 34 2c 31 35 29 00 00 d6 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 4b 04 77 61 72 | 4,15)......._id.V..6+r.5o..K.war |
4cee0 | 6e 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 02 00 00 04 4d 50 | nings.......fingerprints......MP |
4cf00 | 32 44 00 90 02 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 | 2D......0.....7;1-1-4;2-1-1;..1. |
4cf20 | 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 00 02 | ....4;1-1-1;1-1-7;2-1-3;2-1-8;.. |
4cf40 | 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 32 3b | 2.'...1;1-1-3;1-1-4;1-1-8;2-1-2; |
4cf60 | 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 32 2d | 2-2-3;2-1-7;..3.!...3;1-1-1;1-2- |
4cf80 | 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 31 2d | 3;2-2-3;2-1-4;2-1-8;..4.....3;1- |
4cfa0 | 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 33 3b | 2-3;2-1-1;2-2-3;..5.....3;1-2-3; |
4cfc0 | 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 2d | 2-2-3;..6.....3;1-2-3;2-2-3;2-1- |
4cfe0 | 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 00 02 | 8;..7.....3;1-2-3;1-1-8;2-3-3;.. |
4d000 | 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; |
4d020 | 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 27 00 00 00 38 | ..9.....8;1-2-3;2-4-3;..10.'...8 |
4d040 | 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 34 3b 32 | ;1-1-1;1-1-2;2-1-1;2-1-3;2-1-4;2 |
4d060 | 2d 31 2d 39 3b 00 02 31 31 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d | -1-9;..11.!...2;1-1-1;1-1-8;1-1- |
4d080 | 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 32 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 | 9;2-2-1;2-1-3;..12.....9;1-1-2;2 |
4d0a0 | 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 33 00 2d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -1-1;2-1-8;..13.-...1;1-1-1;1-1- |
4d0c0 | 32 3b 31 2d 31 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 39 3b | 2;1-1-3;2-2-1;2-2-3;2-1-8;2-1-9; |
4d0e0 | 00 02 31 34 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 31 | ..14.!...3;1-1-1;1-2-3;2-1-1;2-1 |
4d100 | 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 33 3b | -2;2-2-3;..15.....3;1-2-3;2-2-3; |
4d120 | 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 3b 32 | 2-1-15;..16.....3;1-2-3;1-1-15;2 |
4d140 | 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 |
4d160 | 38 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 31 39 00 0f | 8.....1;1-3-1;2-1-2;2-1-3;..19.. |
4d180 | 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 | ...1;1-1-1;2-2-1;....dataset_ids |
4d1a0 | 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f | ......0.V..4+r.5o....1.V..:+r.5o |
4d1c0 | 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 | ....2.V..;+r.5o....3.V..<+r.5o.. |
4d1e0 | c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 | ..4.V..=+r.5o....5.V..>+r.5o.... |
4d200 | 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 | 6.V..?+r.5o....7.V..@+r.5o....8. |
4d220 | 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 | V..A+r.5o....9.V..B+r.5o....10.V |
4d240 | ba 0c 43 2b 72 ed 35 6f 00 01 d3 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 | ..C+r.5o.....features./....56ba0 |
4d260 | 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 9f 71 77 e5 c2 | c342b72ed356f000000......0..qw.. |
4d280 | 7b ae 3f 00 00 02 73 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 | {.?...smiles.4...N#CC(c1cccc(c1) |
4d2a0 | 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 63 31 29 43 6c 29 43 | Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C |
4d2c0 | 28 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 7e e6 bf c6 52 01 00 00 09 63 72 65 61 74 65 | (C)C..updated_at.~...R....create |
4d2e0 | 64 5f 61 74 00 9d b4 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.....R....default_fingerprin |
4d300 | 74 5f 73 69 7a 65 00 14 00 00 00 02 69 6e 63 68 69 00 86 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.....InChI=1S/C |
4d320 | 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 31 31 2d 31 33 2d 32 | 25H22ClNO3/c1-17(2)24(18-11-13-2 |
4d340 | 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 28 31 36 2d 32 37 29 | 0(26)14-12-18)25(28)30-23(16-27) |
4d360 | 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 38 2d 34 2d 33 2d 35 | 19-7-6-10-22(15-19)29-21-8-4-3-5 |
4d380 | 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 48 33 00 00 6a 03 00 | -9-21/h3-15,17,23-24H,1-2H3..j.. |
4d3a0 | 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 4c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V..6+r.5o..L.warnings..... |
4d3c0 | 00 03 66 69 6e 67 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 | ..fingerprints.W....MP2D.L....0. |
4d3e0 | 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 02 31 00 15 00 00 00 | ....1;1-1-1;2-1-1;2-1-3;..1..... |
4d400 | 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 00 00 00 33 3b 31 2d | 1;1-2-1;1-1-3;2-2-3;..2.!...3;1- |
4d420 | 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 00 02 33 00 | 1-1;1-2-3;2-2-1;2-2-3;2-1-8;..3. |
4d440 | 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 34 00 1b 00 00 00 | ....3;1-2-3;2-2-1;2-2-3;..4..... |
4d460 | 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 35 00 15 00 | 3;1-1-1;1-2-3;2-2-1;2-3-3;..5... |
4d480 | 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 3b | ..3;1-2-3;2-1-1;2-2-3;..6.....3; |
4d4a0 | 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 00 33 3b 31 2d 32 2d | 1-2-3;2-2-3;2-1-8;..7.....3;1-2- |
4d4c0 | 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 00 00 00 38 3b 31 2d | 3;1-1-8;2-1-1;2-2-3;..8.....8;1- |
4d4e0 | 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 3b 31 2d 32 2d 33 3b | 1-3;2-2-3;..9.....1;1-2-1;1-2-3; |
4d500 | 32 2d 34 2d 33 3b 00 02 31 30 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 | 2-4-3;..10.....1;1-1-1;2-1-1;2-2 |
4d520 | 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 | -3;....dataset_ids......0.V..4+r |
4d540 | ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 | .5o....1.V..:+r.5o....2.V..;+r.5 |
4d560 | 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 | o....3.V..<+r.5o....4.V..=+r.5o. |
4d580 | 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc | ...5.V..=+r.5o....6.V..?+r.5o... |
4d5a0 | 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 | .7.V..@+r.5o....8.V..A+r.5o....9 |
4d5c0 | 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 | .V..B+r.5o....10.V..C+r.5o.....f |
4d5e0 | 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 | eatures./....56ba0c342b72ed356f0 |
4d600 | 30 30 30 30 30 00 10 00 00 00 01 30 00 ae d0 8c 05 ca 7b b4 3f 00 00 02 73 6d 69 6c 65 73 00 2a | 00000......0......{.?...smiles.* |
4d620 | 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 31 29 43 28 | ...CC(c1cc(ccc1O)C(c1ccc(c(c1)C( |
4d640 | 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 55 e9 bf c6 52 01 00 | C)C)O)(C)C)C..updated_at.U...R.. |
4d660 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 a4 b4 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at.....R....default_fi |
4d680 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0b 00 00 00 02 69 6e 63 68 69 00 68 00 00 00 49 6e | ngerprint_size......inchi.h...In |
4d6a0 | 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 31 2d 31 35 | ChI=1S/C21H28O2/c1-13(2)17-11-15 |
4d6c0 | 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 2d 32 30 28 | (7-9-19(17)22)21(5,6)16-8-10-20( |
4d6e0 | 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 32 33 48 2c | 23)18(12-16)14(3)4/h7-14,22-23H, |
4d700 | 31 2d 36 48 33 00 00 07 05 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 4d 04 77 61 72 | 1-6H3......._id.V..6+r.5o..M.war |
4d720 | 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 cc 02 00 00 04 4d 50 | nings.......fingerprints......MP |
4d740 | 32 44 00 c1 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 | 2D......0.....1;1-1-1;2-1-19;..1 |
4d760 | 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 3b | .....1;1-1-1;1-1-19;2-1-1;2-1-3; |
4d780 | 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 3b 32 2d 33 | ..2.....19;1-2-1;1-1-3;2-1-1;2-3 |
4d7a0 | 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 32 2d 31 3b | -3;..3.#...3;1-2-3;1-1-19;2-2-1; |
4d7c0 | 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 3b 31 2d 31 | 2-2-3;2-2-19;..4.*...3;1-2-3;1-1 |
4d7e0 | 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 32 3b 00 02 | -19;2-2-3;2-1-9;2-1-19;2-1-32;.. |
4d800 | 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 39 | 5.....3;1-2-3;2-1-1;2-2-3;2-1-19 |
4d820 | 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 33 | ;..6.....3;1-1-1;1-2-3;2-2-3;2-3 |
4d840 | 2d 31 36 3b 00 02 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 | -16;..7.....19;1-1-3;1-1-9;1-1-3 |
4d860 | 32 3b 32 2d 32 2d 33 3b 00 02 38 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 | 2;2-2-3;..8.....9;1-1-19;2-1-3;2 |
4d880 | 2d 31 2d 33 32 3b 00 02 39 00 17 00 00 00 33 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d | -1-32;..9.....32;1-1-19;2-1-3;2- |
4d8a0 | 31 2d 39 3b 00 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 | 1-9;..10.....1;1-1-3;1-3-16;2-2- |
4d8c0 | 33 3b 00 02 31 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 | 3;..11.....16;1-1-1;2-1-3;2-2-16 |
4d8e0 | 3b 00 02 31 32 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 | ;..12.....1;1-1-3;1-1-19;2-1-1;2 |
4d900 | 2d 33 2d 33 3b 00 02 31 33 00 2a 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d | -3-3;..13.*...3;1-1-1;1-2-3;2-2- |
4d920 | 33 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 31 36 3b 32 2d 31 2d 31 39 3b 00 02 31 34 00 1c 00 00 00 | 3;2-1-15;2-1-16;2-1-19;..14..... |
4d940 | 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 02 31 35 00 | 3;1-2-3;1-1-16;2-1-1;2-2-3;..15. |
4d960 | 10 00 00 00 31 36 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 36 00 16 00 00 00 33 3b 31 2d | ....16;1-1-3;2-2-3;..16.....3;1- |
4d980 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 31 37 00 0f 00 00 00 33 3b 31 2d 32 2d | 2-3;2-2-3;2-1-16;..17.....3;1-2- |
4d9a0 | 33 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 32 2d 33 3b 32 | 3;2-2-3;..18.....3;1-2-3;2-2-3;2 |
4d9c0 | 2d 31 2d 31 35 3b 00 02 31 39 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d | -1-15;..19.....3;1-2-3;1-1-15;2- |
4d9e0 | 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 30 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d | 1-1;2-2-3;..20.....15;1-1-3;2-2- |
4da00 | 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed | 3;....dataset_ids......0.V..4+r. |
4da20 | 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f | 5o....1.V..:+r.5o....2.V..;+r.5o |
4da40 | 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 | ....3.V..<+r.5o....4.V..=+r.5o.. |
4da60 | c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 | ..5.V..>+r.5o....6.V..?+r.5o.... |
4da80 | 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 39 00 | 7.V..@+r.5o....8.V..A+r.5o....9. |
4daa0 | 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 | V..B+r.5o....10.V..C+r.5o.....fe |
4dac0 | 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 | atures./....56ba0c342b72ed356f00 |
4dae0 | 30 30 30 30 00 10 00 00 00 01 30 00 72 e7 e0 b7 e2 59 be 3f 00 00 02 73 6d 69 6c 65 73 00 40 00 | 0000......0.r....Y.?...smiles.@. |
4db00 | 00 00 43 43 4e 28 63 31 63 28 63 63 28 63 63 31 5b 4e 2b 5d 28 3d 4f 29 5b 4f 2d 5d 29 43 28 46 | ..CCN(c1c(cc(cc1[N+](=O)[O-])C(F |
4db20 | 29 28 46 29 46 29 5b 4e 2b 5d 28 3d 4f 29 5b 4f 2d 5d 29 43 63 31 63 28 46 29 63 63 63 63 31 43 | )(F)F)[N+](=O)[O-])Cc1c(F)cccc1C |
4db40 | 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 32 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 | l..updated_at.2...R....created_a |
4db60 | 74 00 aa b4 bf c6 52 01 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....default_fingerprint_s |
4db80 | 69 7a 65 00 15 00 00 00 02 69 6e 63 68 69 00 7a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 36 48 | ize......inchi.z...InChI=1S/C16H |
4dba0 | 31 32 43 6c 46 34 4e 33 4f 34 2f 63 31 2d 32 2d 32 32 28 38 2d 31 30 2d 31 31 28 31 37 29 34 2d | 12ClF4N3O4/c1-2-22(8-10-11(17)4- |
4dbc0 | 33 2d 35 2d 31 32 28 31 30 29 31 38 29 31 35 2d 31 33 28 32 33 28 32 35 29 32 36 29 36 2d 39 28 | 3-5-12(10)18)15-13(23(25)26)6-9( |
4dbe0 | 31 36 28 31 39 2c 32 30 29 32 31 29 37 2d 31 34 28 31 35 29 32 34 28 32 37 29 32 38 2f 68 33 2d | 16(19,20)21)7-14(15)24(27)28/h3- |
4dc00 | 37 48 2c 32 2c 38 48 32 2c 31 48 33 00 00 a9 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f | 7H,2,8H2,1H3......._id.V..6+r.5o |
4dc20 | 00 01 4e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 | ..N.warnings.......fingerprints. |
4dc40 | 85 02 00 00 04 4d 50 32 44 00 7a 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 | .....MP2D.z....0.....1;1-1-1;2-1 |
4dc60 | 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.... |
4dc80 | 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 2d 31 3b 32 | .1;1-2-1;2-2-1;..3.....1;1-2-1;2 |
4dca0 | 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 34 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -1-1;2-1-10;..4.....1;1-1-1;1-1- |
4dcc0 | 31 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 35 00 22 00 00 00 31 30 3b 31 2d 31 2d 31 3b | 10;2-1-1;2-1-2;..5."...10;1-1-1; |
4dce0 | 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 36 00 22 00 00 00 | 1-1-2;2-1-1;2-1-8;2-1-9;..6."... |
4dd00 | 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 | 2;1-1-8;1-1-9;1-1-10;2-1-1;2-1-3 |
4dd20 | 3b 00 02 37 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 30 3b 00 02 | ;..7.....9;1-1-2;2-1-8;2-1-10;.. |
4dd40 | 38 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 | 8."...8;1-1-2;1-1-3;2-2-3;2-1-9; |
4dd60 | 32 2d 31 2d 31 30 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 | 2-1-10;..9."...3;1-2-3;1-1-8;2-1 |
4dd80 | 2d 32 3b 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 32 2d 33 | -2;2-2-3;2-1-11;..10.#...3;1-2-3 |
4dda0 | 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 35 3b 00 02 31 31 00 | ;2-1-3;2-1-8;2-1-11;2-1-15;..11. |
4ddc0 | 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 31 2d 33 3b | $...3;1-1-3;1-1-11;1-1-15;2-1-3; |
4dde0 | 32 2d 31 2d 31 31 3b 00 02 31 32 00 17 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 | 2-1-11;..12.....15;1-1-3;2-1-3;2 |
4de00 | 2d 31 2d 31 31 3b 00 02 31 33 00 1e 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 | -1-11;..13.....11;1-1-3;1-1-11;2 |
4de20 | 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 34 00 17 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d | -2-3;2-1-15;..14.....11;1-1-3;1- |
4de40 | 31 2d 31 31 3b 32 2d 33 2d 33 3b 00 02 31 35 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d | 1-11;2-3-3;..15.#...3;1-2-3;1-1- |
4de60 | 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 31 36 00 16 00 00 00 33 | 11;2-3-3;2-1-8;2-1-11;..16.....3 |
4de80 | 3b 31 2d 33 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 37 00 0f 00 00 00 33 3b 31 | ;1-3-3;2-3-3;2-1-11;..17.....3;1 |
4dea0 | 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 32 2d | -2-3;2-3-3;..18.....3;1-2-3;2-2- |
4dec0 | 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed | 3;....dataset_ids......0.V..4+r. |
4dee0 | 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f | 5o....1.V..:+r.5o....2.V..:+r.5o |
4df00 | 00 01 c3 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 | ....3.V..<+r.5o....4.V..=+r.5o.. |
4df20 | c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 | ..5.V..>+r.5o....6.V..?+r.5o.... |
4df40 | 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 | 7.V..@+r.5o....8.V..A+r.5o....9. |
4df60 | 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 | V..B+r.5o....10.V..C+r.5o.....fe |
4df80 | 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 | atures./....56ba0c342b72ed356f00 |
4dfa0 | 30 30 30 30 00 10 00 00 00 01 30 00 8a 02 78 06 48 cd c6 3f 00 00 02 73 6d 69 6c 65 73 00 24 00 | 0000......0...x.H..?...smiles.$. |
4dfc0 | 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 63 31 63 | ..CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1c |
4dfe0 | 63 63 63 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 b0 e8 bf c6 52 01 00 00 09 63 72 65 61 74 | cccc1..updated_at.....R....creat |
4e000 | 65 64 5f 61 74 00 b1 b4 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at.....R....default_fingerpri |
4e020 | 6e 74 5f 73 69 7a 65 00 13 00 00 00 02 69 6e 63 68 69 00 7f 00 00 00 49 6e 43 68 49 3d 31 53 2f | nt_size......inchi.....InChI=1S/ |
4e040 | 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 2d 31 33 | C19H23ClN2O2S/c1-2-3-4-5-6-10-13 |
4e060 | 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 32 2d 31 | -25-19(23)24-16-14-17(20)21-22-1 |
4e080 | 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 31 2d 31 | 8(16)15-11-8-7-9-12-15/h7-9,11-1 |
4e0a0 | 32 2c 31 34 48 2c 32 2d 36 2c 31 30 2c 31 33 48 32 2c 31 48 33 00 00 57 04 00 00 07 5f 69 64 00 | 2,14H,2-6,10,13H2,1H3..W...._id. |
4e0c0 | 56 ba 0c 36 2b 72 ed 35 6f 00 01 4f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..6+r.5o..O.warnings.......fing |
4e0e0 | 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 0f 00 00 00 31 3b | erprints.?....MP2D.4....0.....1; |
4e100 | 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- |
4e120 | 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- |
4e140 | 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 00 00 39 | 1-8;1-1-9;2-2-1;2-1-28;..3.....9 |
4e160 | 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 31 2d 31 | ;1-1-2;2-1-1;2-1-8;..4.....1;1-1 |
4e180 | 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 2d 31 2d | -1;1-1-2;1-1-28;2-1-2;2-1-3;2-1- |
4e1a0 | 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 32 3b 31 | 8;2-1-9;..5.....28;1-1-1;1-1-2;1 |
4e1c0 | 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 00 02 36 | -1-3;2-2-1;2-1-2;2-2-3;2-1-9;..6 |
4e1e0 | 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 3b | ."...3;1-2-3;1-1-28;2-3-1;2-1-2; |
4e200 | 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- |
4e220 | 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 33 3b 00 | 3;2-1-28;..8.....1;1-1-3;2-2-3;. |
4e240 | 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 30 00 | .9.....3;1-2-3;2-1-1;2-2-3;..10. |
4e260 | 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 22 00 00 00 32 3b 31 2d 31 | ....3;1-2-3;2-2-3;..11."...2;1-1 |
4e280 | 2d 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 33 3b 00 02 31 32 | -1;1-1-9;1-1-28;2-1-1;2-2-3;..12 |
4e2a0 | 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 22 | .....9;1-1-2;2-1-1;2-1-28;..13." |
4e2c0 | 00 00 00 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 2d 31 | ...1;1-1-2;1-1-3;2-2-3;2-1-9;2-1 |
4e2e0 | 2d 32 38 3b 00 02 31 34 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 | -28;..14.....3;1-1-1;1-2-3;2-1-2 |
4e300 | 3b 32 2d 32 2d 33 3b 00 02 31 35 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d | ;2-2-3;..15.....1;1-1-1;2-1-2;2- |
4e320 | 31 2d 32 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 | 1-28;....dataset_ids......0.V..4 |
4e340 | 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 | +r.5o....1.V..:+r.5o....2.V..;+r |
4e360 | ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 | .5o....3.V..<+r.5o....4.V..=+r.5 |
4e380 | 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 | o....5.V..>+r.5o....6.V..?+r.5o. |
4e3a0 | 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 | ...7.V..@+r.5o....8.V..A+r.5o... |
4e3c0 | 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 | .9.V..B+r.5o....10.V..C+r.5o.... |
4e3e0 | 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 | .features./....56ba0c342b72ed356 |
4e400 | 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 a4 b9 52 9f 35 18 c2 3f 00 00 02 73 6d 69 6c 65 73 | f000000......0...R.5..?...smiles |
4e420 | 00 29 00 00 00 43 4f 43 28 3d 4f 29 43 28 4e 28 63 31 63 28 43 29 63 63 63 63 31 43 29 43 28 3d | .)...COC(=O)C(N(c1c(C)cccc1C)C(= |
4e440 | 4f 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 6d ea bf c6 52 01 | O)Cc1ccccc1)C..updated_at.m...R. |
4e460 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 bd b4 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at.....R....default_f |
4e480 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 10 00 00 00 02 69 6e 63 68 69 00 6e 00 00 00 49 | ingerprint_size......inchi.n...I |
4e4a0 | 6e 43 68 49 3d 31 53 2f 43 32 30 48 32 33 4e 4f 33 2f 63 31 2d 31 34 2d 39 2d 38 2d 31 30 2d 31 | nChI=1S/C20H23NO3/c1-14-9-8-10-1 |
4e4c0 | 35 28 32 29 31 39 28 31 34 29 32 31 28 31 36 28 33 29 32 30 28 32 33 29 32 34 2d 34 29 31 38 28 | 5(2)19(14)21(16(3)20(23)24-4)18( |
4e4e0 | 32 32 29 31 33 2d 31 37 2d 31 31 2d 36 2d 35 2d 37 2d 31 32 2d 31 37 2f 68 35 2d 31 32 2c 31 36 | 22)13-17-11-6-5-7-12-17/h5-12,16 |
4e500 | 48 2c 31 33 48 32 2c 31 2d 34 48 33 00 00 16 05 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f | H,13H2,1-4H3......._id.V..6+r.5o |
4e520 | 00 01 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 00 | ..P.warnings.......fingerprints. |
4e540 | cb 02 00 00 04 4d 50 32 44 00 c0 02 00 00 02 30 00 0f 00 00 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 | .....MP2D......0.....7;1-1-4;2-1 |
4e560 | 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 33 3b 32 | -1;..1.....4;1-1-1;1-1-7;2-1-3;2 |
4e580 | 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 31 2d 38 | -1-8;..2.'...1;1-1-3;1-1-4;1-1-8 |
4e5a0 | 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 31 2d 31 | ;2-1-2;2-2-3;2-1-7;..3.!...3;1-1 |
4e5c0 | 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 34 00 15 | -1;1-2-3;2-2-3;2-1-4;2-1-8;..4.. |
4e5e0 | 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 33 | ...3;1-2-3;2-1-1;2-2-3;..5.....3 |
4e600 | 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 32 2d 32 | ;1-2-3;2-2-3;..6.....3;1-2-3;2-2 |
4e620 | 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 3b 32 | -3;2-1-8;..7.....3;1-2-3;1-1-8;2 |
4e640 | 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 32 2d 33 | -3-3;..8.....3;1-2-3;2-1-1;2-2-3 |
4e660 | 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 00 02 31 | ;2-1-8;..9.....8;1-2-3;2-4-3;..1 |
4e680 | 30 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 | 0.'...8;1-1-1;1-1-2;2-1-1;2-1-3; |
4e6a0 | 32 2d 31 2d 34 3b 32 2d 31 2d 39 3b 00 02 31 31 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 | 2-1-4;2-1-9;..11.!...2;1-1-1;1-1 |
4e6c0 | 2d 38 3b 31 2d 31 2d 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 32 00 15 00 00 00 39 3b | -8;1-1-9;2-2-1;2-1-3;..12.....9; |
4e6e0 | 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 31 33 00 2d 00 00 00 31 3b 31 2d 31 | 1-1-2;2-1-1;2-1-8;..13.-...1;1-1 |
4e700 | 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 2d 38 | -1;1-1-2;1-1-3;2-2-1;2-2-3;2-1-8 |
4e720 | 3b 32 2d 31 2d 39 3b 00 02 31 34 00 21 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d | ;2-1-9;..14.!...3;1-1-1;1-2-3;2- |
4e740 | 31 2d 31 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 2d 32 2d 33 | 1-1;2-1-2;2-2-3;..15.....3;1-2-3 |
4e760 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 36 00 1c 00 00 00 38 3b 31 2d | ;1-1-8;2-1-1;2-2-3;..16.....8;1- |
4e780 | 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 31 37 00 16 00 00 00 | 1-1;1-1-3;2-2-3;2-2-16;..17..... |
4e7a0 | 31 3b 31 2d 31 2d 38 3b 31 2d 32 2d 31 36 3b 32 2d 31 2d 33 3b 00 02 31 38 00 17 00 00 00 31 36 | 1;1-1-8;1-2-16;2-1-3;..18.....16 |
4e7c0 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 36 3b 00 02 31 39 00 15 00 00 00 31 3b 31 | ;1-1-1;2-1-8;2-1-16;..19.....1;1 |
4e7e0 | 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 32 30 00 0f 00 00 00 31 3b 31 2d 31 2d | -3-1;2-1-2;2-1-3;..20.....1;1-1- |
4e800 | 31 3b 32 2d 32 2d 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 | 1;2-2-1;....dataset_ids......0.V |
4e820 | ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c | ..4+r.5o....1.V..9+r.5o....2.V.. |
4e840 | 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b | ;+r.5o....3.V..<+r.5o....4.V..=+ |
4e860 | 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed | r.5o....5.V..>+r.5o....6.V..?+r. |
4e880 | 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f | 5o....7.V..@+r.5o....8.V..A+r.5o |
4e8a0 | 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 | ....9.V..B+r.5o....10.V..C+r.5o. |
4e8c0 | 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 | ....features./....56ba0c342b72ed |
4e8e0 | 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 da bc c6 b2 de 37 8b 3f 00 00 02 73 6d 69 | 356f000000......0......7.?...smi |
4e900 | 6c 65 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 | les.8...N#CC(c1cccc(c1)Oc1ccccc1 |
4e920 | 29 4f 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 | )OC(=O)C(c1ccc(cc1)OC(F)F)C(C)C. |
4e940 | 09 75 70 64 61 74 65 64 5f 61 74 00 60 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at.`...R....created_at. |
4e960 | c4 b4 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | ....R....default_fingerprint_siz |
4e980 | 65 00 15 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 | e......inchi.....InChI=1S/C26H23 |
4e9a0 | 46 32 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 | F2NO4/c1-17(2)24(18-11-13-21(14- |
4e9c0 | 31 32 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 | 12-18)32-26(27)28)25(30)33-23(16 |
4e9e0 | 2d 32 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 | -29)19-7-6-10-22(15-19)31-20-8-4 |
4ea00 | 2d 33 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 | -3-5-9-20/h3-15,17,23-24,26H,1-2 |
4ea20 | 48 33 00 00 1c 03 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 51 04 77 61 72 6e 69 6e | H3......._id.V..6+r.5o..Q.warnin |
4ea40 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 fa 00 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
4ea60 | ef 00 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 | .....0.....15;1-1-3;2-2-3;..1... |
4ea80 | 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 32 00 16 00 00 00 33 | ..3;1-2-3;1-1-15;2-3-3;..2.....3 |
4eaa0 | 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 31 2d | ;1-2-3;2-2-3;2-1-15;..3.....3;1- |
4eac0 | 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 33 3b | 2-3;2-2-3;..4.....3;1-2-3;2-3-3; |
4eae0 | 00 02 35 00 1d 00 00 00 33 3b 31 2d 33 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 32 2d 31 | ..5.....3;1-3-3;2-2-3;2-2-11;2-1 |
4eb00 | 2d 31 35 3b 00 02 36 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d 33 | -15;..6.....3;1-1-3;1-2-11;2-2-3 |
4eb20 | 3b 32 2d 32 2d 31 31 3b 00 02 37 00 1e 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b | ;2-2-11;..7.....11;1-1-3;1-1-11; |
4eb40 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 | 2-2-3;2-1-11;....dataset_ids.... |
4eb60 | 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 | ..0.V..4+r.5o....1.V..9+r.5o.... |
4eb80 | 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 34 00 | 2.V..:+r.5o....3.V..;+r.5o....4. |
4eba0 | 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 36 00 56 ba | V..<+r.5o....5.V..<+r.5o....6.V. |
4ebc0 | 0c 3d 2b 72 ed 35 6f 00 01 c8 07 37 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 38 00 56 ba 0c 3f | .=+r.5o....7.V..>+r.5o....8.V..? |
4ebe0 | 2b 72 ed 35 6f 00 01 cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c 41 2b | +r.5o....9.V..@+r.5o....10.V..A+ |
4ec00 | 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b | r.5o....11.V..B+r.5o....12.V..C+ |
4ec20 | 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 | r.5o.....features.:....56ba0c342 |
4ec40 | 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 f8 f8 a6 36 b9 e3 b0 3f 01 | b72ed356f000000......0....6...?. |
4ec60 | 31 00 8f d2 c9 a8 0a 38 ad 3f 00 00 02 73 6d 69 6c 65 73 00 1f 00 00 00 43 6c 63 31 63 63 63 63 | 1......8.?...smiles.....Clc1cccc |
4ec80 | 63 31 63 31 6e 6e 63 28 6e 6e 31 29 63 31 63 63 63 63 63 31 43 6c 00 09 75 70 64 61 74 65 64 5f | c1c1nnc(nn1)c1ccccc1Cl..updated_ |
4eca0 | 61 74 00 24 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ca b4 bf c6 52 01 00 00 10 | at.$...R....created_at.....R.... |
4ecc0 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 08 00 00 00 02 69 6e | default_fingerprint_size......in |
4ece0 | 63 68 69 00 57 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 38 43 6c 32 4e 34 2f 63 31 35 2d | chi.W...InChI=1S/C14H8Cl2N4/c15- |
4ed00 | 31 31 2d 37 2d 33 2d 31 2d 35 2d 39 28 31 31 29 31 33 2d 31 37 2d 31 39 2d 31 34 28 32 30 2d 31 | 11-7-3-1-5-9(11)13-17-19-14(20-1 |
4ed20 | 38 2d 31 33 29 31 30 2d 36 2d 32 2d 34 2d 38 2d 31 32 28 31 30 29 31 36 2f 68 31 2d 38 48 00 00 | 8-13)10-6-2-4-8-12(10)16/h1-8H.. |
4ed40 | d9 03 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 52 04 77 61 72 6e 69 6e 67 73 00 05 | ....._id.V..6+r.5o..R.warnings.. |
4ed60 | 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 00 00 | .....fingerprints......MP2D..... |
4ed80 | 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 31 | .0.....1;1-1-1;2-1-8;..1.....1;1 |
4eda0 | 2d 31 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 | -1-1;1-1-8;2-1-2;..2."...8;1-1-1 |
4edc0 | 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 00 1c 00 | ;1-1-2;2-1-1;2-1-9;2-1-28;..3... |
4ede0 | 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 00 02 34 | ..2;1-1-8;1-1-9;1-1-28;2-2-1;..4 |
4ee00 | 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 35 00 22 00 | .....9;1-1-2;2-1-8;2-1-28;..5.". |
4ee20 | 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 32 2d 31 | ..28;1-1-1;1-1-2;2-1-1;2-1-8;2-1 |
4ee40 | 2d 39 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 32 3b | -9;..6.....1;1-1-1;1-1-28;2-1-2; |
4ee60 | 32 2d 31 2d 38 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 | 2-1-8;..7.....1;1-1-1;1-1-8;2-1- |
4ee80 | 33 3b 32 2d 31 2d 32 38 3b 00 02 38 00 1b 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 | 3;2-1-28;..8.....8;1-1-1;1-1-3;2 |
4eea0 | 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 39 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 | -1-1;2-2-3;..9.....3;1-2-3;1-1-8 |
4eec0 | 3b 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 | ;2-1-1;2-2-3;..10.....3;1-2-3;2- |
4eee0 | 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 2d 31 2d 38 | 2-3;2-1-8;..11.....3;1-2-3;1-1-8 |
4ef00 | 3b 32 2d 33 2d 33 3b 00 02 31 32 00 0f 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 | ;2-3-3;..12.....8;1-2-3;2-4-3;.. |
4ef20 | 31 33 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 | 13.....3;1-2-3;2-2-3;....dataset |
4ef40 | 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b | _ids......0.V..4+r.5o....1.V..:+ |
4ef60 | 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed | r.5o....2.V..;+r.5o....3.V..<+r. |
4ef80 | 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f | 5o....4.V..=+r.5o....5.V..=+r.5o |
4efa0 | 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 | ....6.V..?+r.5o....7.V..@+r.5o.. |
4efc0 | ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 | ..8.V..A+r.5o....9.V..B+r.5o.... |
4efe0 | 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 | 10.V..C+r.5o.....features./....5 |
4f000 | 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 c8 | 6ba0c342b72ed356f000000......0.. |
4f020 | b6 a4 43 ae fd a0 3f 00 00 02 73 6d 69 6c 65 73 00 20 00 00 00 43 43 4f 43 28 3d 4f 29 4e 43 43 | ..C...?...smiles.....CCOC(=O)NCC |
4f040 | 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 61 74 | Oc1ccc(cc1)Oc1ccccc1..updated_at |
4f060 | 00 6b e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d0 b4 bf c6 52 01 00 00 10 64 65 | .k...R....created_at.....R....de |
4f080 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0e 00 00 00 02 69 6e 63 68 | fault_fingerprint_size......inch |
4f0a0 | 69 00 72 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 37 48 31 39 4e 4f 34 2f 63 31 2d 32 2d 32 30 | i.r...InChI=1S/C17H19NO4/c1-2-20 |
4f0c0 | 2d 31 37 28 31 39 29 31 38 2d 31 32 2d 31 33 2d 32 31 2d 31 34 2d 38 2d 31 30 2d 31 36 28 31 31 | -17(19)18-12-13-21-14-8-10-16(11 |
4f0e0 | 2d 39 2d 31 34 29 32 32 2d 31 35 2d 36 2d 34 2d 33 2d 35 2d 37 2d 31 35 2f 68 33 2d 31 31 48 2c | -9-14)22-15-6-4-3-5-7-15/h3-11H, |
4f100 | 32 2c 31 32 2d 31 33 48 32 2c 31 48 33 2c 28 48 2c 31 38 2c 31 39 29 00 00 5d 04 00 00 07 5f 69 | 2,12-13H2,1H3,(H,18,19)..]...._i |
4f120 | 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 53 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..6+r.5o..S.warnings.......fi |
4f140 | 6e 67 65 72 70 72 69 6e 74 73 00 52 02 00 00 04 4d 50 32 44 00 47 02 00 00 02 30 00 0f 00 00 00 | ngerprints.R....MP2D.G....0..... |
4f160 | 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- |
4f180 | 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; |
4f1a0 | 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 2d 31 2d | 2-2-1;2-1-9;..3."...2;1-1-1;1-1- |
4f1c0 | 38 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 34 00 15 00 00 00 39 3b 31 | 8;1-1-9;2-1-1;2-1-28;..4.....9;1 |
4f1e0 | 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 31 2d 32 | -1-2;2-1-1;2-1-8;..5.(...1;1-1-2 |
4f200 | 3b 31 2d 31 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 | ;1-1-28;2-1-2;2-1-3;2-1-8;2-1-9; |
4f220 | 00 02 36 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 3b 32 2d 31 | ..6.....28;1-1-1;1-1-2;1-1-3;2-1 |
4f240 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 37 00 22 00 00 00 33 3b 31 | -1;2-1-2;2-2-3;2-1-9;..7."...3;1 |
4f260 | 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 33 3b 00 02 | -2-3;1-1-28;2-3-1;2-1-2;2-2-3;.. |
4f280 | 38 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 2d 32 2d 33 3b | 8."...3;1-1-1;1-2-3;2-1-1;2-2-3; |
4f2a0 | 32 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 33 3b 32 2d 32 | 2-1-28;..9.....1;1-1-1;1-1-3;2-2 |
4f2c0 | 2d 33 3b 00 02 31 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 15 | -3;..10.....1;1-1-1;2-1-3;..11.. |
4f2e0 | 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 0f 00 00 00 | ...3;1-2-3;2-1-1;2-2-3;..12..... |
4f300 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 29 00 00 00 32 3b 31 2d 31 2d 31 3b 31 | 3;1-2-3;2-2-3;..13.)...2;1-1-1;1 |
4f320 | 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 35 3b 00 | -1-9;1-1-28;2-1-1;2-1-3;2-1-15;. |
4f340 | 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 31 | .14.....9;1-1-2;2-1-1;2-1-28;..1 |
4f360 | 35 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 | 5.....1;1-1-2;1-1-15;2-1-9;2-1-2 |
4f380 | 38 3b 00 02 31 36 00 10 00 00 00 31 35 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 04 64 61 | 8;..16.....15;1-1-1;2-1-2;....da |
4f3a0 | 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 | taset_ids......0.V..4+r.5o....1. |
4f3c0 | 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba | V..:+r.5o....2.V..;+r.5o....3.V. |
4f3e0 | 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3d | .<+r.5o....4.V..=+r.5o....5.V..= |
4f400 | 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 | +r.5o....6.V..?+r.5o....7.V..@+r |
4f420 | ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 | .5o....8.V..A+r.5o....9.V..B+r.5 |
4f440 | 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f | o....10.V..C+r.5o.....features./ |
4f460 | 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 | ....56ba0c342b72ed356f000000.... |
4f480 | 00 01 30 00 f9 42 f0 32 96 86 c4 3f 00 00 02 73 6d 69 6c 65 73 00 23 00 00 00 43 43 4f 43 28 3d | ..0..B.2...?...smiles.#...CCOC(= |
4f4a0 | 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 70 | O)CN(c1c(CC)cccc1CC)C(=O)CCl..up |
4f4c0 | 64 61 74 65 64 5f 61 74 00 56 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d6 b4 bf | dated_at.V...R....created_at.... |
4f4e0 | c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 11 | .R....default_fingerprint_size.. |
4f500 | 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 4e | ....inchi.g...InChI=1S/C16H22ClN |
4f520 | 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 38 | O3/c1-4-12-8-7-9-13(5-2)16(12)18 |
4f540 | 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 2d | (14(19)10-17)11-15(20)21-6-3/h7- |
4f560 | 39 48 2c 34 2d 36 2c 31 30 2d 31 31 48 32 2c 31 2d 33 48 33 00 00 00 05 00 00 07 5f 69 64 00 56 | 9H,4-6,10-11H2,1-3H3......._id.V |
4f580 | ba 0c 36 2b 72 ed 35 6f 00 01 54 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..6+r.5o..T.warnings.......finge |
4f5a0 | 72 70 72 69 6e 74 73 00 da 02 00 00 04 4d 50 32 44 00 cf 02 00 00 02 30 00 0f 00 00 00 31 3b 31 | rprints......MP2D......0.....1;1 |
4f5c0 | 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 |
4f5e0 | 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 33 | ;..2.....1;1-2-1;2-1-1;2-1-5;..3 |
4f600 | 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 3b | .....1;1-1-1;1-1-5;2-2-1;2-1-10; |
4f620 | 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 31 | ..4.....5;1-2-1;1-1-10;2-2-1;2-1 |
4f640 | 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 2d | -28;..5.....10;1-1-5;1-1-28;2-3- |
4f660 | 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 31 | 1;2-1-2;..6.)...28;1-1-1;1-1-2;1 |
4f680 | 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 00 | -1-10;2-1-5;2-1-8;2-1-9;..7.)... |
4f6a0 | 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 33 | 2;1-1-8;1-1-9;1-1-28;2-1-1;2-1-3 |
4f6c0 | 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 2d | ;2-1-10;..8.....9;1-1-2;2-1-8;2- |
4f6e0 | 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 33 | 1-28;..9."...8;1-1-2;1-1-3;2-2-3 |
4f700 | 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 31 | ;2-1-9;2-1-28;..10.!...3;1-2-3;1 |
4f720 | 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 00 | -1-8;2-1-2;2-2-3;2-1-8;..11..... |
4f740 | 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 31 | 3;1-2-3;2-2-3;2-1-8;..12.....3;1 |
4f760 | 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 2d | -2-3;2-2-3;..13.....3;1-2-3;2-1- |
4f780 | 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 32 | 1;2-2-3;..14.!...3;1-1-1;1-2-3;2 |
4f7a0 | 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 2d | -1-1;2-2-3;2-1-8;..15.!...3;1-2- |
4f7c0 | 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 1b | 3;1-1-8;2-2-1;2-2-3;2-1-8;..16.. |
4f7e0 | 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 31 | ...8;1-1-1;1-1-3;2-3-1;2-2-3;..1 |
4f800 | 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 21 | 7.....1;1-3-1;1-1-8;2-2-3;..18.! |
4f820 | 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 31 | ...1;1-1-1;1-1-3;2-2-1;2-2-3;2-1 |
4f840 | 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 3b | -8;..19.....1;1-1-1;2-2-1;2-1-8; |
4f860 | 00 02 32 30 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 | ..20.....1;1-1-28;2-1-2;2-1-10;. |
4f880 | 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 | ...dataset_ids......0.V..4+r.5o. |
4f8a0 | 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 | ...1.V..:+r.5o....2.V..;+r.5o... |
4f8c0 | 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 | .3.V..<+r.5o....4.V..=+r.5o....5 |
4f8e0 | 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 | .V..>+r.5o....6.V..?+r.5o....7.V |
4f900 | ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c | ..@+r.5o....8.V..A+r.5o....9.V.. |
4f920 | 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 00 03 66 65 61 74 75 | B+r.5o....10.V..C+r.5o.....featu |
4f940 | 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 | res./....56ba0c342b72ed356f00000 |
4f960 | 30 00 10 00 00 00 01 30 00 90 da ce 5f 68 d1 b0 3f 00 00 02 73 6d 69 6c 65 73 00 2a 00 00 00 43 | 0......0...._h..?...smiles.*...C |
4f980 | 43 43 43 4e 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 | CCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C) |
4f9a0 | 43 29 43 29 43 43 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 86 e6 bf c6 52 01 00 00 09 63 72 | C)C)CCCC..updated_at.....R....cr |
4f9c0 | 65 61 74 65 64 5f 61 74 00 dc b4 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at.....R....default_finger |
4f9e0 | 70 72 69 6e 74 5f 73 69 7a 65 00 15 00 00 00 02 69 6e 63 68 69 00 7b 00 00 00 49 6e 43 68 49 3d | print_size......inchi.{...InChI= |
4fa00 | 31 53 2f 43 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 | 1S/C20H32N2O3S/c1-6-8-13-22(14-9 |
4fa20 | 2d 37 2d 32 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 | -7-2)26-21(5)19(23)24-17-12-10-1 |
4fa40 | 31 2d 31 36 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 | 1-16-15-20(3,4)25-18(16)17/h10-1 |
4fa60 | 32 48 2c 36 2d 39 2c 31 33 2d 31 35 48 32 2c 31 2d 35 48 33 00 00 0a 05 00 00 07 5f 69 64 00 56 | 2H,6-9,13-15H2,1-5H3......._id.V |
4fa80 | ba 0c 36 2b 72 ed 35 6f 00 01 55 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..6+r.5o..U.warnings.......finge |
4faa0 | 72 70 72 69 6e 74 73 00 dc 02 00 00 04 4d 50 32 44 00 d1 02 00 00 02 30 00 0f 00 00 00 31 3b 31 | rprints......MP2D......0.....1;1 |
4fac0 | 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 |
4fae0 | 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 33 | ;..2.....1;1-2-1;2-1-1;2-1-8;..3 |
4fb00 | 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;. |
4fb20 | 02 34 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 | .4.....8;1-1-1;1-1-2;2-2-1;2-1-9 |
4fb40 | 3b 00 02 35 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 | ;..5.!...2;1-1-1;1-1-8;1-1-9;2-2 |
4fb60 | 2d 31 3b 32 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 | -1;2-1-8;..6.....9;1-1-2;2-1-1;2 |
4fb80 | 2d 31 2d 38 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 | -1-8;..7.'...1;1-1-1;1-1-2;1-1-8 |
4fba0 | 3b 32 2d 31 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 | ;2-1-3;2-1-8;2-1-9;..8.!...8;1-1 |
4fbc0 | 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 02 39 00 1b | -1;1-1-3;2-1-1;2-1-2;2-2-3;..9.. |
4fbe0 | 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 31 | ...3;1-2-3;1-1-8;2-1-1;2-2-3;..1 |
4fc00 | 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 15 | 0.....3;1-2-3;2-2-3;2-1-8;..11.. |
4fc20 | 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 16 00 00 00 | ...3;1-2-3;1-1-8;2-3-3;..12..... |
4fc40 | 38 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 33 00 1c 00 00 00 33 3b | 8;1-2-3;2-3-3;2-1-11;..13.....3; |
4fc60 | 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 00 02 31 34 00 1c 00 | 1-1-3;1-1-8;1-1-11;2-3-3;..14... |
4fc80 | 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 31 31 3b 00 02 31 | ..3;1-2-3;2-1-3;2-1-8;2-1-11;..1 |
4fca0 | 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 31 36 00 23 | 5.....3;1-2-3;2-1-1;2-2-3;..16.# |
4fcc0 | 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 2d | ...3;1-1-1;1-2-3;2-1-3;2-1-11;2- |
4fce0 | 33 2d 31 36 3b 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 | 3-16;..17.....3;1-1-3;1-1-11;2-1 |
4fd00 | 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 38 00 16 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -1;2-2-3;..18.....11;1-2-3;2-2-3 |
4fd20 | 3b 32 2d 31 2d 38 3b 00 02 31 39 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 3b 32 | ;2-1-8;..19.....1;1-1-3;1-3-16;2 |
4fd40 | 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 2d 33 3b 32 2d 32 | -2-3;..20.....16;1-1-1;2-1-3;2-2 |
4fd60 | 2d 31 36 3b 00 02 32 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 | -16;..21.....1;1-1-1;2-1-2;2-1-8 |
4fd80 | 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 | ;....dataset_ids......0.V..4+r.5 |
4fda0 | 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 | o....1.V..9+r.5o....2.V..;+r.5o. |
4fdc0 | 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 | ...3.V..<+r.5o....4.V..=+r.5o... |
4fde0 | 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 | .5.V..>+r.5o....6.V..?+r.5o....7 |
4fe00 | 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 | .V..@+r.5o....8.V..A+r.5o....9.V |
4fe20 | ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 | ..B+r.5o....10.V..C+r.5o.....fea |
4fe40 | 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 | tures./....56ba0c342b72ed356f000 |
4fe60 | 30 30 30 00 10 00 00 00 01 30 00 7c 05 19 22 d2 06 80 3f 00 00 02 73 6d 69 6c 65 73 00 2d 00 00 | 000......0.|.."...?...smiles.-.. |
4fe80 | 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 |
4fea0 | 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 41 e8 bf c6 52 01 | n1)C(F)(F)F)C..updated_at.A...R. |
4fec0 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e2 b4 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at.....R....default_f |
4fee0 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 16 00 00 00 02 69 6e 63 68 69 00 80 00 00 00 49 | ingerprint_size......inchi.....I |
4ff00 | 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 |
4ff20 | 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) |
4ff40 | 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) |
4ff60 | 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.. |
4ff80 | 9b 02 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 56 04 77 61 72 6e 69 6e 67 73 00 05 | ....._id.V..6+r.5o..V.warnings.. |
4ffa0 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 c8 00 00 00 04 4d 50 32 44 00 bd 00 00 00 | .....fingerprints......MP2D..... |
4ffc0 | 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 |
4ffe0 | 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 |
50000 | 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... |
50020 | 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 |
50040 | 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; |
50060 | 00 02 35 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 | ..5.....15;1-1-3;2-2-3;....datas |
50080 | 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c | et_ids......0.V..4+r.5o....1.V.. |
500a0 | 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b | :+r.5o....2.V..;+r.5o....3.V..<+ |
500c0 | 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3e 2b 72 ed | r.5o....4.V..<+r.5o....5.V..>+r. |
500e0 | 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f | 5o....6.V..?+r.5o....7.V..@+r.5o |
50100 | 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 | ....8.V..A+r.5o....9.V..B+r.5o.. |
50120 | d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 | ..10.V..C+r.5o.....features./... |
50140 | 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 | .56ba0c342b72ed356f000000......0 |
50160 | 00 88 f9 ac 58 92 51 e3 3f 00 00 02 73 6d 69 6c 65 73 00 15 00 00 00 43 4f 63 31 63 63 28 43 6c | ....X.Q.?...smiles.....COc1cc(Cl |
50180 | 29 63 28 63 63 31 43 6c 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 23 e9 bf c6 52 01 00 00 | )c(cc1Cl)OC..updated_at.#...R... |
501a0 | 09 63 72 65 61 74 65 64 5f 61 74 00 e7 b4 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.....R....default_fin |
501c0 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 06 00 00 00 02 69 6e 63 68 69 00 3d 00 00 00 49 6e 43 | gerprint_size......inchi.=...InC |
501e0 | 68 49 3d 31 53 2f 43 38 48 38 43 6c 32 4f 32 2f 63 31 2d 31 31 2d 37 2d 33 2d 36 28 31 30 29 38 | hI=1S/C8H8Cl2O2/c1-11-7-3-6(10)8 |
50200 | 28 31 32 2d 32 29 34 2d 35 28 37 29 39 2f 68 33 2d 34 48 2c 31 2d 32 48 33 00 00 0e 04 00 00 07 | (12-2)4-5(7)9/h3-4H,1-2H3....... |
50220 | 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 57 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..6+r.5o..W.warnings....... |
50240 | 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... |
50260 | 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 31 3b | ..1;1-1-1;2-1-8;..1.....1;1-1-1; |
50280 | 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 31 2d 31 | 1-1-8;2-1-12;..2.#...8;1-1-1;1-1 |
502a0 | 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 00 00 31 | -12;2-1-1;2-2-8;2-1-18;..3.....1 |
502c0 | 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 34 00 11 | 2;1-3-8;1-1-18;2-2-1;2-1-3;..4.. |
502e0 | 00 00 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 | ...18;1-1-12;2-3-8;..5.$...8;1-1 |
50300 | 2d 33 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 | -3;1-1-12;2-2-8;2-2-11;2-1-18;.. |
50320 | 36 00 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 | 6.$...3;1-1-8;1-2-11;2-1-3;2-1-1 |
50340 | 31 3b 32 2d 31 2d 31 32 3b 00 02 37 00 2a 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 | 1;2-1-12;..7.*...11;1-1-3;1-1-11 |
50360 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 38 00 31 00 | ;2-1-1;2-1-3;2-1-8;2-1-11;..8.1. |
50380 | 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 31 3b 32 2d | ..11;1-1-1;1-1-3;1-1-11;2-2-1;2- |
503a0 | 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 35 3b 00 02 39 00 24 00 00 00 33 3b 31 2d 32 2d | 1-3;2-1-11;2-1-15;..9.$...3;1-2- |
503c0 | 31 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 | 11;1-1-15;2-1-1;2-1-3;2-1-11;..1 |
503e0 | 30 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 | 0.....11;1-2-3;2-1-8;2-2-11;2-1- |
50400 | 31 35 3b 00 02 31 31 00 11 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 32 | 15;..11.....15;1-1-3;2-2-11;..12 |
50420 | 00 1d 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 | .....1;1-2-1;1-1-11;2-1-3;2-1-11 |
50440 | 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 31 31 3b 00 | ;..13.....1;1-1-1;2-1-1;2-1-11;. |
50460 | 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 | ...dataset_ids......0.V..4+r.5o. |
50480 | 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 | ...1.V..:+r.5o....2.V..;+r.5o... |
504a0 | 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 | .3.V..<+r.5o....4.V..=+r.5o....5 |
504c0 | 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 | .V..>+r.5o....6.V..?+r.5o....7.V |
504e0 | ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c | ..@+r.5o....8.V..A+r.5o....9.V.. |
50500 | 42 2b 72 ed 35 6f 00 01 d1 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 | B+r.5o....10.V..C+r.5o.....featu |
50520 | 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 | res./....56ba0c342b72ed356f00000 |
50540 | 30 00 10 00 00 00 01 30 00 a3 d8 1c dc 22 66 a4 3f 00 00 02 73 6d 69 6c 65 73 00 21 00 00 00 43 | 0......0....."f.?...smiles.!...C |
50560 | 43 4f 50 28 3d 53 29 28 4f 63 31 6e 6e 28 63 28 6e 31 29 43 6c 29 43 28 43 29 43 29 4f 43 43 00 | COP(=S)(Oc1nn(c(n1)Cl)C(C)C)OCC. |
50580 | 09 75 70 64 61 74 65 64 5f 61 74 00 5a ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at.Z...R....created_at. |
505a0 | ed b4 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | ....R....default_fingerprint_siz |
505c0 | 65 00 0e 00 00 00 02 69 6e 63 68 69 00 57 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 37 43 | e......inchi.W...InChI=1S/C9H17C |
505e0 | 6c 4e 33 4f 33 50 53 2f 63 31 2d 35 2d 31 34 2d 31 37 28 31 38 2c 31 35 2d 36 2d 32 29 31 36 2d | lN3O3PS/c1-5-14-17(18,15-6-2)16- |
50600 | 39 2d 31 31 2d 38 28 31 30 29 31 33 28 31 32 2d 39 29 37 28 33 29 34 2f 68 37 48 2c 35 2d 36 48 | 9-11-8(10)13(12-9)7(3)4/h7H,5-6H |
50620 | 32 2c 31 2d 34 48 33 00 00 58 03 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 58 04 77 | 2,1-4H3..X...._id.V..6+r.5o..X.w |
50640 | 61 72 6e 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 01 00 00 04 | arnings.......fingerprints.f.... |
50660 | 4d 50 32 44 00 5b 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 | MP2D.[....0.....1;1-1-1;2-1-19;. |
50680 | 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 33 3b 00 02 32 00 | .1.....1;1-1-1;1-1-19;2-1-3;..2. |
506a0 | 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 2d 32 2d 31 31 3b | ....19;1-1-1;1-1-3;2-1-1;2-2-11; |
506c0 | 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 3b 32 2d | ..3.....3;1-2-11;1-1-19;2-1-1;2- |
506e0 | 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 31 31 3b 32 2d 32 2d | 2-3;..4.....11;1-2-3;2-2-11;2-2- |
50700 | 31 39 3b 00 02 35 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 | 19;..5.....19;1-1-1;1-1-3;2-2-1; |
50720 | 32 2d 32 2d 31 31 3b 00 02 36 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 39 3b 32 2d | 2-2-11;..6.....1;1-2-1;1-1-19;2- |
50740 | 31 2d 33 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 | 1-3;..7.....1;1-1-1;2-1-1;2-1-19 |
50760 | 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 35 3b | ;..8.....11;1-2-3;2-2-11;2-1-15; |
50780 | 32 2d 31 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 35 3b 32 | 2-1-19;..9.....3;1-2-11;1-1-15;2 |
507a0 | 2d 32 2d 33 3b 00 02 31 30 00 11 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 00 | -2-3;..10.....15;1-1-3;2-2-11;.. |
507c0 | 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 | ..dataset_ids......0.V..4+r.5o.. |
507e0 | 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 | ..1.V..:+r.5o....2.V..:+r.5o.... |
50800 | 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 | 3.V..<+r.5o....4.V..=+r.5o....5. |
50820 | 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba | V..>+r.5o....6.V..?+r.5o....7.V. |
50840 | 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 | .@+r.5o....8.V..A+r.5o....9.V..B |
50860 | 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 | +r.5o....10.V..C+r.5o.....featur |
50880 | 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 | es./....56ba0c342b72ed356f000000 |
508a0 | 00 10 00 00 00 01 30 00 b3 97 a7 08 53 ac bd 3f 00 00 02 73 6d 69 6c 65 73 00 18 00 00 00 43 43 | ......0.....S..?...smiles.....CC |
508c0 | 4e 63 31 6e 63 28 4e 43 28 43 29 43 29 6e 63 28 6e 31 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 | Nc1nc(NC(C)C)nc(n1)Cl..updated_a |
508e0 | 74 00 b3 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f3 b4 bf c6 52 01 00 00 10 64 | t.....R....created_at.....R....d |
50900 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0b 00 00 00 02 69 6e 63 | efault_fingerprint_size......inc |
50920 | 68 69 00 59 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 38 48 31 34 43 6c 4e 35 2f 63 31 2d 34 2d 31 | hi.Y...InChI=1S/C8H14ClN5/c1-4-1 |
50940 | 30 2d 37 2d 31 32 2d 36 28 39 29 31 33 2d 38 28 31 34 2d 37 29 31 31 2d 35 28 32 29 33 2f 68 35 | 0-7-12-6(9)13-8(14-7)11-5(2)3/h5 |
50960 | 48 2c 34 48 32 2c 31 2d 33 48 33 2c 28 48 32 2c 31 30 2c 31 31 2c 31 32 2c 31 33 2c 31 34 29 00 | H,4H2,1-3H3,(H2,10,11,12,13,14). |
50980 | 00 45 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 59 04 77 61 72 6e 69 6e 67 73 00 | .E...._id.V..6+r.5o..Y.warnings. |
509a0 | 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 00 | ......fingerprints.=....MP2D.2.. |
509c0 | 00 02 30 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 00 | ..0.....8;1-1-1;2-1-1;2-1-2;..1. |
509e0 | 28 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 33 2d 31 3b 32 2d | (...1;1-1-1;1-1-2;1-1-8;2-3-1;2- |
50a00 | 31 2d 32 3b 32 2d 31 2d 31 31 3b 00 02 32 00 15 00 00 00 31 3b 31 2d 34 2d 31 3b 32 2d 31 2d 32 | 1-2;2-1-11;..2.....1;1-4-1;2-1-2 |
50a20 | 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 31 3b 00 02 34 | ;2-1-8;..3.....1;1-1-1;2-3-1;..4 |
50a40 | 00 2f 00 00 00 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 | ./...2;1-1-1;1-1-2;1-1-11;2-1-1; |
50a60 | 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 35 00 22 00 00 00 32 3b 31 2d 31 | 2-2-3;2-1-8;2-1-11;..5."...2;1-1 |
50a80 | 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 31 31 3b 00 02 36 00 | -2;1-1-3;2-1-1;2-2-3;2-1-11;..6. |
50aa0 | 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;.. |
50ac0 | 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 38 00 16 00 | 7.....3;1-2-3;2-1-2;2-2-3;..8... |
50ae0 | 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 |
50b00 | 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 10 00 00 00 31 35 3b | ;1-2-3;1-1-15;2-2-3;..10.....15; |
50b20 | 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 30 00 00 00 31 31 3b 31 2d 31 2d 32 3b 31 2d | 1-1-3;2-2-3;..11.0...11;1-1-2;1- |
50b40 | 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 31 2d 33 3b 32 2d 31 | 1-3;1-1-11;2-1-1;2-1-2;2-1-3;2-1 |
50b60 | 2d 31 31 3b 00 02 31 32 00 24 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 | -11;..12.$...11;1-1-3;1-1-11;2-1 |
50b80 | 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 33 00 17 00 00 00 33 3b 31 2d 32 2d 31 | -2;2-1-3;2-1-11;..13.....3;1-2-1 |
50ba0 | 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 34 00 11 00 00 00 31 31 3b 31 2d 32 2d 33 | 1;2-1-3;2-1-11;..14.....11;1-2-3 |
50bc0 | 3b 32 2d 32 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 32 3b | ;2-2-11;..15.....3;1-2-11;2-1-2; |
50be0 | 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 | 2-1-3;2-1-11;....dataset_ids.... |
50c00 | 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 | ..0.V..4+r.5o....1.V..:+r.5o.... |
50c20 | 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 | 2.V..;+r.5o....3.V..<+r.5o....4. |
50c40 | 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba | V..=+r.5o....5.V..>+r.5o....6.V. |
50c60 | 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 00 56 ba 0c 41 | .?+r.5o....7.V..@+r.5o....8.V..A |
50c80 | 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b | +r.5o....9.V..B+r.5o....10.V..C+ |
50ca0 | 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 | r.5o.....features./....56ba0c342 |
50cc0 | 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 fa ff 42 4b f4 49 c1 3f 00 | b72ed356f000000......0...BK.I.?. |
50ce0 | 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 43 28 3d 43 63 31 63 | ..smiles.%...OC(C(C)(C)C)C(=Cc1c |
50d00 | 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 64 5f 61 74 00 02 ea | cc(cc1)Cl)n1ncnc1..updated_at... |
50d20 | bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 fa b4 bf c6 52 01 00 00 10 64 65 66 61 75 | ..R....created_at.....R....defau |
50d40 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 10 00 00 00 02 69 6e 63 68 69 00 62 | lt_fingerprint_size......inchi.b |
50d60 | 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 31 2d 31 35 28 32 2c | ...InChI=1S/C15H18ClN3O/c1-15(2, |
50d80 | 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 31 39 29 38 2d 31 31 | 3)14(20)13(19-10-17-9-18-19)8-11 |
50da0 | 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 34 2c 32 30 48 2c 31 | -4-6-12(16)7-5-11/h4-10,14,20H,1 |
50dc0 | 2d 33 48 33 00 00 7e 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 5a 04 77 61 72 6e | -3H3..~...._id.V..6+r.5o..Z.warn |
50de0 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 28 02 00 00 04 4d 50 32 | ings.......fingerprints.(....MP2 |
50e00 | 44 00 1d 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 | D......0.....1;1-1-1;2-1-1;..1.. |
50e20 | 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 31 | ...1;1-2-1;2-1-1;..2.....1;1-2-1 |
50e40 | 3b 32 2d 32 2d 31 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 | ;2-2-1;..3.....1;1-2-1;2-1-1;2-1 |
50e60 | 2d 33 3b 00 02 34 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 | -3;..4.....1;1-1-1;1-1-3;2-1-1;2 |
50e80 | 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 31 2d 31 | -2-3;..5.....3;1-1-1;1-2-3;2-1-1 |
50ea0 | 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 32 2d 32 | ;2-2-3;..6.....3;1-2-3;2-1-1;2-2 |
50ec0 | 2d 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 | -3;2-1-19;..7."...3;1-2-3;1-1-19 |
50ee0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 38 00 16 00 00 00 31 39 3b 31 2d | ;2-2-3;2-1-8;2-2-9;..8.....19;1- |
50f00 | 31 2d 33 3b 31 2d 32 2d 39 3b 32 2d 32 2d 33 3b 00 02 39 00 16 00 00 00 39 3b 31 2d 31 2d 31 39 | 1-3;1-2-9;2-2-3;..9.....9;1-1-19 |
50f20 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 30 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | ;2-1-3;2-1-9;..10."...3;1-2-3;1- |
50f40 | 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 39 3b 00 02 31 31 00 21 00 00 00 | 1-8;2-1-2;2-2-3;2-2-19;..11.!... |
50f60 | 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 32 2d 31 2d 39 3b | 8;1-1-2;1-1-3;2-1-2;2-2-3;2-1-9; |
50f80 | 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 32 2d 31 | ..12.!...2;1-1-2;1-1-8;1-1-9;2-1 |
50fa0 | 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 33 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b | -2;2-1-3;..13.....9;1-1-2;2-1-2; |
50fc0 | 32 2d 31 2d 38 3b 00 02 31 34 00 1b 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 | 2-1-8;..14.....2;1-2-2;2-1-1;2-1 |
50fe0 | 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 35 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | -8;2-1-9;..15.....2;1-1-1;1-1-2; |
51000 | 32 2d 31 2d 32 3b 00 02 31 36 00 0f 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 00 00 | 2-1-2;..16.....1;1-1-2;2-1-2;... |
51020 | 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 | .dataset_ids......0.V..4+r.5o... |
51040 | 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 | .1.V..:+r.5o....2.V..;+r.5o....3 |
51060 | 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 | .V..<+r.5o....4.V..<+r.5o....5.V |
51080 | ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c | ..=+r.5o....6.V..>+r.5o....7.V.. |
510a0 | 3f 2b 72 ed 35 6f 00 01 cb 07 38 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 39 00 56 ba 0c 40 2b | ?+r.5o....8.V..?+r.5o....9.V..@+ |
510c0 | 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b | r.5o....10.V..A+r.5o....11.V..B+ |
510e0 | 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 | r.5o....12.V..C+r.5o.....feature |
51100 | 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 | s.:....56ba0c342b72ed356f000000. |
51120 | 1b 00 00 00 01 30 00 b4 e2 ec b3 3e 90 c1 3f 01 31 00 38 f9 24 8a 31 7b c6 3f 00 00 02 73 6d 69 | .....0.....>..?.1.8.$.1{.?...smi |
51140 | 6c 65 73 00 2f 00 00 00 43 43 43 43 43 43 43 43 63 31 63 63 28 4e 28 3d 4f 29 3d 4f 29 63 28 63 | les./...CCCCCCCCc1cc(N(=O)=O)c(c |
51160 | 28 63 31 29 4e 28 3d 4f 29 3d 4f 29 4f 43 28 3d 4f 29 43 3d 43 43 00 09 75 70 64 61 74 65 64 5f | (c1)N(=O)=O)OC(=O)C=CC..updated_ |
51180 | 61 74 00 a3 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 00 b5 bf c6 52 01 00 00 10 | at.....R....created_at.....R.... |
511a0 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 11 00 00 00 02 69 6e | default_fingerprint_size......in |
511c0 | 63 68 69 00 7b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 38 48 32 34 4e 32 4f 36 2f 63 31 2d 33 | chi.{...InChI=1S/C18H24N2O6/c1-3 |
511e0 | 2d 35 2d 36 2d 37 2d 38 2d 39 2d 31 31 2d 31 34 2d 31 32 2d 31 35 28 31 39 28 32 32 29 32 33 29 | -5-6-7-8-9-11-14-12-15(19(22)23) |
51200 | 31 38 28 31 36 28 31 33 2d 31 34 29 32 30 28 32 34 29 32 35 29 32 36 2d 31 37 28 32 31 29 31 30 | 18(16(13-14)20(24)25)26-17(21)10 |
51220 | 2d 34 2d 32 2f 68 34 2c 31 30 2c 31 32 2d 31 33 48 2c 33 2c 35 2d 39 2c 31 31 48 32 2c 31 2d 32 | -4-2/h4,10,12-13H,3,5-9,11H2,1-2 |
51240 | 48 33 00 00 00 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 5b 04 77 61 72 6e 69 6e | H3......._id.V..6+r.5o..[.warnin |
51260 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 f2 01 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
51280 | e7 01 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 15 00 00 | .....0.....1;1-1-1;2-2-1;..1.... |
512a0 | 00 31 3b 31 2d 33 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 00 21 00 00 00 31 3b 31 | .1;1-3-1;2-2-3;2-1-8;..2.!...1;1 |
512c0 | 2d 31 2d 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 34 2d 33 3b 00 02 33 | -1-1;1-2-3;1-1-8;2-2-1;2-4-3;..3 |
512e0 | 00 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 33 3b 32 | .(...3;1-1-1;1-2-3;2-1-1;2-1-3;2 |
51300 | 2d 31 2d 38 3b 32 2d 32 2d 31 31 3b 00 02 34 00 1c 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d | -1-8;2-2-11;..4.....3;1-1-3;1-1- |
51320 | 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 35 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b | 11;2-1-1;2-2-3;..5.....11;1-2-3; |
51340 | 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 36 00 10 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d | 2-1-3;2-1-11;..6.....3;1-2-11;2- |
51360 | 32 2d 33 3b 00 02 37 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 | 2-3;..7.!...3;1-1-1;1-2-3;2-1-1; |
51380 | 32 2d 33 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 | 2-3-3;2-1-8;..8.....3;1-2-3;2-1- |
513a0 | 31 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 3b 32 2d | 1;2-2-3;..9.....3;1-2-3;2-2-3;2- |
513c0 | 31 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 31 2d 31 | 1-8;..10.....3;1-2-3;1-1-8;2-1-1 |
513e0 | 3b 32 2d 32 2d 33 3b 00 02 31 31 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d | ;2-2-3;..11.....8;1-1-1;1-1-3;2- |
51400 | 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 31 32 00 16 00 00 00 31 3b 31 2d 31 2d 38 3b 31 2d 33 2d | 2-3;2-3-16;..12.....1;1-1-8;1-3- |
51420 | 31 36 3b 32 2d 31 2d 33 3b 00 02 31 33 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 | 16;2-1-3;..13.....16;1-1-1;2-1-8 |
51440 | 3b 32 2d 32 2d 31 36 3b 00 02 31 34 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 | ;2-2-16;..14.....8;1-1-1;2-1-1;2 |
51460 | 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 | -2-3;....dataset_ids......0.V..4 |
51480 | 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 | +r.5o....1.V..:+r.5o....2.V..;+r |
514a0 | ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 | .5o....3.V..<+r.5o....4.V..=+r.5 |
514c0 | 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 | o....5.V..>+r.5o....6.V..?+r.5o. |
514e0 | 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf | ...7.V..@+r.5o....8.V..A+r.5o... |
51500 | 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 | .9.V..B+r.5o....10.V..C+r.5o.... |
51520 | 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 | .features./....56ba0c342b72ed356 |
51540 | 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 06 3f 13 b9 91 d6 a3 3f 00 00 02 73 6d 69 6c 65 73 | f000000......0..?.....?...smiles |
51560 | 00 27 00 00 00 43 43 28 43 28 63 31 63 6e 63 6e 63 31 29 28 63 31 63 63 63 28 63 63 31 29 4f 43 | .'...CC(C(c1cncnc1)(c1ccc(cc1)OC |
51580 | 28 46 29 28 46 29 46 29 4f 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 09 ea bf c6 52 01 00 00 | (F)(F)F)O)C..updated_at.....R... |
515a0 | 09 63 72 65 61 74 65 64 5f 61 74 00 07 b5 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.....R....default_fin |
515c0 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0f 00 00 00 02 69 6e 63 68 69 00 66 00 00 00 49 6e 43 | gerprint_size......inchi.f...InC |
515e0 | 68 49 3d 31 53 2f 43 31 35 48 31 35 46 33 4e 32 4f 32 2f 63 31 2d 31 30 28 32 29 31 34 28 32 31 | hI=1S/C15H15F3N2O2/c1-10(2)14(21 |
51600 | 2c 31 32 2d 37 2d 31 39 2d 39 2d 32 30 2d 38 2d 31 32 29 31 31 2d 33 2d 35 2d 31 33 28 36 2d 34 | ,12-7-19-9-20-8-12)11-3-5-13(6-4 |
51620 | 2d 31 31 29 32 32 2d 31 35 28 31 36 2c 31 37 29 31 38 2f 68 33 2d 31 30 2c 32 31 48 2c 31 2d 32 | -11)22-15(16,17)18/h3-10,21H,1-2 |
51640 | 48 33 00 00 fd 02 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 5c 04 77 61 72 6e 69 6e | H3......._id.V..6+r.5o..\.warnin |
51660 | 67 73 00 05 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 | gs.......fingerprints.%....MP2D. |
51680 | 1a 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 02 31 00 22 00 | .....0.....1;1-1-8;2-1-12;..1.". |
516a0 | 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 |
516c0 | 2d 39 3b 00 02 32 00 22 00 00 00 31 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 38 3b 31 2d 31 2d 39 3b | -9;..2."...12;1-1-1;1-2-8;1-1-9; |
516e0 | 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 00 16 00 00 00 39 3b 31 2d 31 2d 31 32 3b 32 2d 31 | 2-3-1;2-1-8;..3.....9;1-1-12;2-1 |
51700 | 2d 31 3b 32 2d 32 2d 38 3b 00 02 34 00 29 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 | -1;2-2-8;..4.)...1;1-1-1;1-1-8;1 |
51720 | 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 32 2d 33 2d 31 35 3b 00 02 35 00 1d 00 00 | -1-12;2-2-8;2-1-9;2-3-15;..5.... |
51740 | 00 31 3b 31 2d 31 2d 31 3b 31 2d 33 2d 31 35 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 36 | .1;1-1-1;1-3-15;2-1-8;2-1-12;..6 |
51760 | 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 37 00 16 | .....15;1-1-1;2-1-1;2-2-15;..7.. |
51780 | 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 32 3b 00 00 00 04 64 61 74 61 | ...8;1-1-1;2-1-1;2-1-12;....data |
517a0 | 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba | set_ids......0.V..4+r.5o....1.V. |
517c0 | 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c | .:+r.5o....2.V..;+r.5o....3.V..< |
517e0 | 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 | +r.5o....4.V..=+r.5o....5.V..>+r |
51800 | ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 | .5o....6.V..?+r.5o....7.V..@+r.5 |
51820 | 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 | o....8.V..A+r.5o....9.V..B+r.5o. |
51840 | 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 | ...10.V..C+r.5o.....features./.. |
51860 | 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 | ..56ba0c342b72ed356f000000...... |
51880 | 30 00 9b 31 bf 3f 6d e3 b3 3f 00 00 02 73 6d 69 6c 65 73 00 1b 00 00 00 43 4f 50 28 3d 4f 29 28 | 0..1.?m..?...smiles.....COP(=O)( |
518a0 | 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 61 74 00 2d | C(C(Cl)(Cl)Cl)O)OC..updated_at.- |
518c0 | ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 0c b5 bf c6 52 01 00 00 10 64 65 66 61 | ...R....created_at.....R....defa |
518e0 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 08 00 00 00 02 69 6e 63 68 69 00 | ult_fingerprint_size......inchi. |
51900 | 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 30 2d 31 32 | <...InChI=1S/C4H8Cl3O4P/c1-10-12 |
51920 | 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 32 48 33 00 | (9,11-2)3(8)4(5,6)7/h3,8H,1-2H3. |
51940 | 00 b6 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 5d 04 77 61 72 6e 69 6e 67 73 00 | ......_id.V..6+r.5o..].warnings. |
51960 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 96 02 00 00 04 4d 50 32 44 00 8b 02 00 | ......fingerprints......MP2D.... |
51980 | 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 33 | ..0.....15;1-1-3;2-2-3;..1.....3 |
519a0 | 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 00 | ;1-2-3;1-1-15;2-2-3;2-1-8;..2... |
519c0 | 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 33 | ..3;1-2-3;2-1-1;2-2-3;2-1-15;..3 |
519e0 | 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; |
51a00 | 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. |
51a20 | 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 00 | ....3;1-2-3;2-2-3;2-1-8;..6..... |
51a40 | 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 0f | 3;1-2-3;1-1-8;2-3-3;2-1-15;..7.. |
51a60 | 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 33 | ...8;1-2-3;2-4-3;..8.....3;1-2-3 |
51a80 | 3b 31 2d 31 2d 38 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 | ;1-1-8;2-3-3;..9.....3;1-2-3;2-2 |
51aa0 | 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 29 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | -3;2-1-19;..10.)...3;1-2-3;1-1-1 |
51ac0 | 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 31 00 | 9;2-1-2;2-2-3;2-1-9;2-1-32;..11. |
51ae0 | 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 32 | #...3;1-1-2;1-2-3;2-2-3;2-1-19;2 |
51b00 | 2d 32 2d 33 32 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 | -2-32;..12.....3;1-2-3;2-1-2;2-2 |
51b20 | 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 33 00 16 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 32 2d 33 32 | -3;2-1-8;..13.....2;1-1-3;1-2-32 |
51b40 | 3b 32 2d 32 2d 33 3b 00 02 31 34 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 | ;2-2-3;..14.....32;1-1-2;2-1-3;2 |
51b60 | 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 2d | -1-32;..15.....19;1-1-3;1-1-9;1- |
51b80 | 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 31 | 1-32;2-2-3;..16.....9;1-1-19;2-1 |
51ba0 | 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 31 | -3;2-1-32;..17.....32;1-1-19;2-1 |
51bc0 | 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 38 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 | -3;2-1-9;..18.....1;1-1-3;1-3-16 |
51be0 | 3b 32 2d 32 2d 33 3b 00 02 31 39 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 | ;2-2-3;..19.....16;1-1-1;2-1-3;2 |
51c00 | 2d 32 2d 31 36 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c | -2-16;....dataset_ids......0.V.. |
51c20 | 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b | 4+r.5o....1.V..:+r.5o....2.V..:+ |
51c40 | 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed | r.5o....3.V..<+r.5o....4.V..=+r. |
51c60 | 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f | 5o....5.V..>+r.5o....6.V..?+r.5o |
51c80 | 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 | ....7.V..@+r.5o....8.V..A+r.5o.. |
51ca0 | d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 | ..9.V..B+r.5o....10.V..C+r.5o... |
51cc0 | 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 | ..features./....56ba0c342b72ed35 |
51ce0 | 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 c2 73 10 d3 d1 1e d6 3f 00 00 02 73 6d 69 6c 65 | 6f000000......0..s.....?...smile |
51d00 | 73 00 34 00 00 00 43 6c 63 31 63 63 28 63 63 63 31 4f 63 31 63 63 63 28 63 28 63 31 29 43 28 3d | s.4...Clc1cc(ccc1Oc1ccc(c(c1)C(= |
51d20 | 4f 29 4f 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)O)[N+](=O)[O-])C(F)(F)F..updat |
51d40 | 65 64 5f 61 74 00 81 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 13 b5 bf c6 52 01 | ed_at.....R....created_at.....R. |
51d60 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 14 00 00 00 | ...default_fingerprint_size..... |
51d80 | 02 69 6e 63 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 | .inchi.k...InChI=1S/C14H7ClF3NO5 |
51da0 | 2f 63 31 35 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 | /c15-10-5-7(14(16,17)18)1-4-12(1 |
51dc0 | 30 29 32 34 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 | 0)24-8-2-3-11(19(22)23)9(6-8)13( |
51de0 | 32 30 29 32 31 2f 68 31 2d 36 48 2c 28 48 2c 32 30 2c 32 31 29 00 00 44 04 00 00 07 5f 69 64 00 | 20)21/h1-6H,(H,20,21)..D...._id. |
51e00 | 56 ba 0c 36 2b 72 ed 35 6f 00 01 5e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..6+r.5o..^.warnings.......fing |
51e20 | 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 0f 00 00 00 31 3b | erprints......MP2D......0.....1; |
51e40 | 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 31 2d | 1-1-1;2-1-1;..1.....1;1-2-1;2-1- |
51e60 | 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 32 2d 31 3b | 19;..2.....1;1-1-1;1-1-19;2-2-1; |
51e80 | 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 3b 32 2d 32 | 2-1-3;..3.....19;1-2-1;1-1-3;2-2 |
51ea0 | 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 2d 31 39 3b | -1;2-2-3;..4.#...3;1-2-3;1-1-19; |
51ec0 | 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 3b 31 2d 32 | 2-2-1;2-2-3;2-2-19;..5.*...3;1-2 |
51ee0 | 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 3b 32 2d 31 | -3;1-1-19;2-2-3;2-1-9;2-1-19;2-1 |
51f00 | 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 32 2d 33 3b | -32;..6.....3;1-2-3;2-1-1;2-2-3; |
51f20 | 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 3b 32 2d 32 | 2-1-19;..7.....3;1-1-1;1-2-3;2-2 |
51f40 | 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 38 00 1d 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 | -3;2-3-16;..8.....19;1-1-3;1-1-9 |
51f60 | 3b 31 2d 31 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 39 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 | ;1-1-32;2-2-3;..9.....9;1-1-19;2 |
51f80 | 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 31 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 31 39 3b 32 | -1-3;2-1-32;..10.....32;1-1-19;2 |
51fa0 | 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 31 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d | -1-3;2-1-9;..11.....1;1-1-3;1-3- |
51fc0 | 31 36 3b 32 2d 32 2d 33 3b 00 02 31 32 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 | 16;2-2-3;..12.....16;1-1-1;2-1-3 |
51fe0 | 3b 32 2d 32 2d 31 36 3b 00 02 31 33 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b | ;2-2-16;..13.....1;1-1-1;1-1-19; |
52000 | 32 2d 33 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 34 00 16 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 32 | 2-3-1;2-1-3;..14.....1;1-3-1;2-2 |
52020 | 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 35 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 | -1;2-1-19;..15.....1;1-2-1;2-3-1 |
52040 | 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 | ;....dataset_ids......0.V..4+r.5 |
52060 | 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 | o....1.V..:+r.5o....2.V..;+r.5o. |
52080 | 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 | ...3.V..<+r.5o....4.V..=+r.5o... |
520a0 | 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 | .5.V..>+r.5o....6.V..?+r.5o....7 |
520c0 | 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 | .V..@+r.5o....8.V..A+r.5o....9.V |
520e0 | ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 | ..B+r.5o....10.V..C+r.5o.....fea |
52100 | 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 | tures./....56ba0c342b72ed356f000 |
52120 | 30 30 30 00 10 00 00 00 01 30 00 93 89 59 7a 47 7c 8d 3f 00 00 02 73 6d 69 6c 65 73 00 39 00 00 | 000......0...YzG|.?...smiles.9.. |
52140 | 00 43 43 43 4e 28 63 31 63 28 63 63 28 63 63 31 5b 4e 2b 5d 28 3d 4f 29 5b 4f 2d 5d 29 43 28 46 | .CCCN(c1c(cc(cc1[N+](=O)[O-])C(F |
52160 | 29 28 46 29 46 29 5b 4e 2b 5d 28 3d 4f 29 5b 4f 2d 5d 29 43 43 31 43 43 31 00 09 75 70 64 61 74 | )(F)F)[N+](=O)[O-])CC1CC1..updat |
52180 | 65 64 5f 61 74 00 4e ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 1a b5 bf c6 52 01 | ed_at.N...R....created_at.....R. |
521a0 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 10 00 00 00 | ...default_fingerprint_size..... |
521c0 | 02 69 6e 63 68 69 00 6f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 36 46 33 4e 33 4f 34 | .inchi.o...InChI=1S/C14H16F3N3O4 |
521e0 | 2f 63 31 2d 32 2d 35 2d 31 38 28 38 2d 39 2d 33 2d 34 2d 39 29 31 33 2d 31 31 28 31 39 28 32 31 | /c1-2-5-18(8-9-3-4-9)13-11(19(21 |
52200 | 29 32 32 29 36 2d 31 30 28 31 34 28 31 35 2c 31 36 29 31 37 29 37 2d 31 32 28 31 33 29 32 30 28 | )22)6-10(14(15,16)17)7-12(13)20( |
52220 | 32 33 29 32 34 2f 68 36 2d 37 2c 39 48 2c 32 2d 35 2c 38 48 32 2c 31 48 33 00 00 fe 05 00 00 07 | 23)24/h6-7,9H,2-5,8H2,1H3....... |
52240 | 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 5f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..6+r.5o.._.warnings....... |
52260 | 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 00 00 02 30 00 0f 00 | fingerprints......MP2D......0... |
52280 | 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; |
522a0 | 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 2d | 1-1-8;2-1-2;..2.....8;1-1-1;1-1- |
522c0 | 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 31 2d | 2;2-2-1;2-1-9;..3.!...2;1-1-1;1- |
522e0 | 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 39 3b | 1-8;1-1-9;2-2-1;2-1-8;..4.....9; |
52300 | 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 31 2d | 1-1-2;2-1-1;2-1-8;..5.'...1;1-1- |
52320 | 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; |
52340 | 00 02 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 | ..6.'...8;1-1-1;1-1-2;2-1-1;2-1- |
52360 | 32 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 31 2d | 2;2-1-3;2-1-9;..7.!...2;1-1-3;1- |
52380 | 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 39 3b | 1-8;1-1-9;2-1-1;2-2-3;..8.....9; |
523a0 | 31 2d 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 | 1-1-2;2-1-3;2-1-8;..9.(...3;1-1- |
523c0 | 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 31 2d 31 39 | 2;1-2-3;2-2-3;2-1-8;2-1-9;2-1-19 |
523e0 | 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 33 3b 32 2d | ;..10.....3;1-2-3;2-1-2;2-2-3;2- |
52400 | 31 2d 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 | 1-8;..11.....3;1-2-3;1-1-8;2-3-3 |
52420 | 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;.. |
52440 | 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 34 | 13.....3;1-2-3;2-2-3;2-1-19;..14 |
52460 | 00 29 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 | .)...3;1-2-3;1-1-19;2-1-2;2-2-3; |
52480 | 32 2d 31 2d 39 3b 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 | 2-1-9;2-1-32;..15.....19;1-1-3;1 |
524a0 | 2d 31 2d 39 3b 31 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 | -1-9;1-1-32;2-2-3;..16.....9;1-1 |
524c0 | 2d 31 39 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 31 | -19;2-1-3;2-1-32;..17.....32;1-1 |
524e0 | 2d 31 39 3b 32 2d 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 | -19;2-1-3;2-1-9;..18.....8;1-2-3 |
52500 | 3b 32 2d 34 2d 33 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 | ;2-4-3;..19.....3;1-2-3;1-1-8;2- |
52520 | 33 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 32 30 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d | 3-3;2-1-15;..20.....3;1-2-3;2-1- |
52540 | 31 3b 32 2d 32 2d 33 3b 00 02 32 31 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 | 1;2-2-3;..21.....3;1-1-1;1-2-3;2 |
52560 | 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 32 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | -2-3;2-3-16;..22.....3;1-2-3;2-1 |
52580 | 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 32 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 | -1;2-2-3;2-1-15;..23.....3;1-2-3 |
525a0 | 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 34 00 10 00 00 00 31 35 3b | ;1-1-15;2-2-3;2-1-8;..24.....15; |
525c0 | 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 35 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 | 1-1-3;2-2-3;..25.....1;1-1-3;1-3 |
525e0 | 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 32 36 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d | -16;2-2-3;..26.....16;1-1-1;2-1- |
52600 | 33 3b 32 2d 32 2d 31 36 3b 00 02 32 37 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b | 3;2-2-16;..27.....1;1-1-1;2-1-2; |
52620 | 32 2d 31 2d 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c | 2-1-8;....dataset_ids......0.V.. |
52640 | 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b | 4+r.5o....1.V..:+r.5o....2.V..;+ |
52660 | 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed | r.5o....3.V..<+r.5o....4.V..=+r. |
52680 | 35 6f 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f | 5o....5.V..=+r.5o....6.V..?+r.5o |
526a0 | 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 | ....7.V..@+r.5o....8.V..A+r.5o.. |
526c0 | d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 | ..9.V..B+r.5o....10.V..C+r.5o... |
526e0 | 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 | ..features./....56ba0c342b72ed35 |
52700 | 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 38 1b 21 29 20 b8 bb 3f 00 00 02 73 6d 69 6c 65 | 6f000000......0.8.!)...?...smile |
52720 | 73 00 3e 00 00 00 43 43 4f 43 28 3d 4f 29 43 28 4f 43 28 3d 4f 29 63 31 63 63 28 63 63 63 31 5b | s.>...CCOC(=O)C(OC(=O)c1cc(ccc1[ |
52740 | 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 46 29 28 46 29 | N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F) |
52760 | 46 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 80 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 | F)C..updated_at.....R....created |
52780 | 5f 61 74 00 21 b5 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 | _at.!...R....default_fingerprint |
527a0 | 5f 73 69 7a 65 00 1c 00 00 00 02 69 6e 63 68 69 00 83 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 | _size......inchi.....InChI=1S/C1 |
527c0 | 39 48 31 35 43 6c 46 33 4e 4f 37 2f 63 31 2d 33 2d 32 39 2d 31 37 28 32 35 29 31 30 28 32 29 33 | 9H15ClF3NO7/c1-3-29-17(25)10(2)3 |
527e0 | 30 2d 31 38 28 32 36 29 31 33 2d 39 2d 31 32 28 35 2d 36 2d 31 35 28 31 33 29 32 34 28 32 37 29 | 0-18(26)13-9-12(5-6-15(13)24(27) |
52800 | 32 38 29 33 31 2d 31 36 2d 37 2d 34 2d 31 31 28 38 2d 31 34 28 31 36 29 32 30 29 31 39 28 32 31 | 28)31-16-7-4-11(8-14(16)20)19(21 |
52820 | 2c 32 32 29 32 33 2f 68 34 2d 31 30 48 2c 33 48 32 2c 31 2d 32 48 33 00 00 2a 03 00 00 07 5f 69 | ,22)23/h4-10H,3H2,1-2H3..*...._i |
52840 | 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 60 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..6+r.5o..`.warnings.......fi |
52860 | 6e 67 65 72 70 72 69 6e 74 73 00 30 01 00 00 04 4d 50 32 44 00 25 01 00 00 02 30 00 10 00 00 00 | ngerprints.0....MP2D.%....0..... |
52880 | 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 31 3b 31 | 1;1-1-1;2-1-10;..1.....1;1-1-1;1 |
528a0 | 2d 31 2d 31 30 3b 32 2d 31 2d 32 3b 00 02 32 00 23 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 | -1-10;2-1-2;..2.#...10;1-1-1;1-1 |
528c0 | 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 00 1d 00 00 00 32 3b | -2;2-1-1;2-1-9;2-1-28;..3.....2; |
528e0 | 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 00 | 1-1-9;1-1-10;1-1-28;2-3-1;..4... |
52900 | 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 00 | ..9;1-1-2;2-1-10;2-1-28;..5.#... |
52920 | 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 3b 32 2d 31 2d 31 | 28;1-2-1;1-1-2;2-2-1;2-1-9;2-1-1 |
52940 | 30 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 32 2d 31 3b 32 | 0;..6.....1;1-1-1;1-1-28;2-2-1;2 |
52960 | 2d 31 2d 32 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 32 | -1-2;..7.....1;1-2-1;2-1-1;2-1-2 |
52980 | 38 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 04 64 61 74 61 | 8;..8.....1;1-2-1;2-2-1;....data |
529a0 | 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba | set_ids......0.V..4+r.5o....1.V. |
529c0 | 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c | .:+r.5o....2.V..;+r.5o....3.V..< |
529e0 | 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 | +r.5o....4.V..=+r.5o....5.V..>+r |
52a00 | ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 37 00 56 ba 0c 3f 2b 72 ed 35 | .5o....6.V..?+r.5o....7.V..?+r.5 |
52a20 | 6f 00 01 cc 07 38 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 39 00 56 ba 0c 41 2b 72 ed 35 6f 00 | o....8.V..@+r.5o....9.V..A+r.5o. |
52a40 | 01 cf 07 31 30 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 | ...10.V..A+r.5o....11.V..B+r.5o. |
52a60 | 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 | ...12.V..C+r.5o.....features.:.. |
52a80 | 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 | ..56ba0c342b72ed356f000000...... |
52aa0 | 30 00 e4 1b bf 8a ee 3d b4 3f 01 31 00 f8 14 cd 48 4e de 85 3f 00 00 02 73 6d 69 6c 65 73 00 12 | 0......=.?.1....HN..?...smiles.. |
52ac0 | 00 00 00 43 43 53 43 28 3d 4f 29 4e 31 43 43 43 43 43 43 31 00 09 75 70 64 61 74 65 64 5f 61 74 | ...CCSC(=O)N1CCCCCC1..updated_at |
52ae0 | 00 41 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 27 b5 bf c6 52 01 00 00 10 64 65 | .A...R....created_at.'...R....de |
52b00 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 09 00 00 00 02 69 6e 63 68 | fault_fingerprint_size......inch |
52b20 | 69 00 3c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 31 37 4e 4f 53 2f 63 31 2d 32 2d 31 32 2d | i.<...InChI=1S/C9H17NOS/c1-2-12- |
52b40 | 39 28 31 31 29 31 30 2d 37 2d 35 2d 33 2d 34 2d 36 2d 38 2d 31 30 2f 68 32 2d 38 48 32 2c 31 48 | 9(11)10-7-5-3-4-6-8-10/h2-8H2,1H |
52b60 | 33 00 00 87 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 61 04 77 61 72 6e 69 6e 67 | 3......._id.V..6+r.5o..a.warning |
52b80 | 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 |
52ba0 | 02 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 15 00 00 00 | ....0.....1;1-1-1;2-1-3;..1..... |
52bc0 | 31 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 | 1;1-1-1;1-1-3;2-2-3;..2.....3;1- |
52be0 | 31 2d 31 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 3b | 1-1;1-2-3;2-1-1;2-2-3;..3.....3; |
52c00 | 31 2d 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 | 1-2-3;2-1-1;2-2-3;..4.....3;1-2- |
52c20 | 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 31 2d 32 3b 31 2d | 3;2-1-2;2-2-3;..5."...3;1-1-2;1- |
52c40 | 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 36 00 23 00 00 00 32 | 2-3;2-2-3;2-1-9;2-1-28;..6.#...2 |
52c60 | 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 32 38 | ;1-1-3;1-1-9;1-1-28;2-2-3;2-1-28 |
52c80 | 3b 00 02 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 | ;..7.....9;1-1-2;2-1-3;2-1-28;.. |
52ca0 | 38 00 29 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d | 8.)...28;1-1-2;1-1-28;2-1-1;2-1- |
52cc0 | 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 39 00 2f 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 | 2;2-1-3;2-1-9;..9./...28;1-1-1;1 |
52ce0 | 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 33 3b 32 2d | -1-2;1-1-28;2-3-1;2-1-2;2-1-3;2- |
52d00 | 31 2d 39 3b 00 02 31 30 00 1d 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d | 1-9;..10.....1;1-3-1;1-1-28;2-1- |
52d20 | 32 3b 32 2d 31 2d 32 38 3b 00 02 31 31 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b | 2;2-1-28;..11.....1;1-1-1;2-2-1; |
52d40 | 32 2d 31 2d 32 38 3b 00 02 31 32 00 29 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d | 2-1-28;..12.)...2;1-1-3;1-1-9;1- |
52d60 | 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 33 00 1b 00 00 | 1-28;2-1-1;2-2-3;2-1-28;..13.... |
52d80 | 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 33 3b 00 02 31 34 00 | .3;1-2-3;2-1-1;2-1-2;2-2-3;..14. |
52da0 | 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 31 35 00 0f 00 00 | ....3;1-1-1;1-2-3;2-2-3;..15.... |
52dc0 | 00 31 3b 31 2d 31 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 | .1;1-1-3;2-2-3;..16.....3;1-2-3; |
52de0 | 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 | 2-2-1;2-2-3;....dataset_ids..... |
52e00 | 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 | .0.V..4+r.5o....1.V..:+r.5o....2 |
52e20 | 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 | .V..;+r.5o....3.V..<+r.5o....4.V |
52e40 | ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c | ..=+r.5o....5.V..>+r.5o....6.V.. |
52e60 | 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b | ?+r.5o....7.V..@+r.5o....8.V..A+ |
52e80 | 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 | r.5o....9.V..B+r.5o....10.V..C+r |
52ea0 | ed 35 6f 00 01 d3 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 | .5o.....features./....56ba0c342b |
52ec0 | 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 25 31 d8 04 68 6e c1 3f 00 00 | 72ed356f000000......0.%1..hn.?.. |
52ee0 | 02 73 6d 69 6c 65 73 00 31 00 00 00 43 43 63 31 63 63 63 28 63 63 31 29 43 28 3d 4f 29 4e 4e 28 | .smiles.1...CCc1ccc(cc1)C(=O)NN( |
52f00 | 43 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 | C(C)(C)C)C(=O)c1cc(C)cc(c1)C..up |
52f20 | 64 61 74 65 64 5f 61 74 00 76 e6 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 2d b5 bf | dated_at.v...R....created_at.-.. |
52f40 | c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 11 | .R....default_fingerprint_size.. |
52f60 | 00 00 00 02 69 6e 63 68 69 00 7b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 32 48 32 38 4e 32 4f | ....inchi.{...InChI=1S/C22H28N2O |
52f80 | 32 2f 63 31 2d 37 2d 31 37 2d 38 2d 31 30 2d 31 38 28 31 31 2d 39 2d 31 37 29 32 30 28 32 35 29 | 2/c1-7-17-8-10-18(11-9-17)20(25) |
52fa0 | 32 33 2d 32 34 28 32 32 28 34 2c 35 29 36 29 32 31 28 32 36 29 31 39 2d 31 33 2d 31 35 28 32 29 | 23-24(22(4,5)6)21(26)19-13-15(2) |
52fc0 | 31 32 2d 31 36 28 33 29 31 34 2d 31 39 2f 68 38 2d 31 34 48 2c 37 48 32 2c 31 2d 36 48 33 2c 28 | 12-16(3)14-19/h8-14H,7H2,1-6H3,( |
52fe0 | 48 2c 32 33 2c 32 35 29 00 00 6d 05 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 62 04 | H,23,25)..m...._id.V..6+r.5o..b. |
53000 | 77 61 72 6e 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 00 00 | warnings.......fingerprints..... |
53020 | 04 4d 50 32 44 00 14 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;. |
53040 | 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 2d 39 | .1.....8;1-1-1;1-1-2;2-1-3;2-1-9 |
53060 | 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 2d 31 | ;..2.!...2;1-1-3;1-1-8;1-1-9;2-1 |
53080 | 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 3b 32 | -1;2-2-3;..3.....9;1-1-2;2-1-3;2 |
530a0 | 2d 31 2d 38 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 32 2d 33 | -1-8;..4.(...3;1-1-2;1-2-3;2-2-3 |
530c0 | 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 33 30 3b 00 02 35 00 15 00 00 00 33 3b 31 2d | ;2-1-8;2-1-9;2-1-30;..5.....3;1- |
530e0 | 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 3b | 2-3;2-1-2;2-2-3;..6.....3;1-2-3; |
53100 | 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 2d | 2-2-3;..7.....3;1-2-3;2-2-3;2-1- |
53120 | 33 30 3b 00 02 38 00 29 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 32 3b | 30;..8.)...3;1-2-3;1-1-30;2-1-2; |
53140 | 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 39 00 23 00 00 00 33 30 3b 31 2d | 2-2-3;2-2-9;2-1-28;..9.#...30;1- |
53160 | 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 31 | 1-3;1-2-9;1-1-28;2-1-2;2-2-3;..1 |
53180 | 30 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 32 | 0.....9;1-1-30;2-1-3;2-1-9;2-1-2 |
531a0 | 38 3b 00 02 31 31 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 | 8;..11.$...28;1-1-2;1-1-30;2-1-3 |
531c0 | 3b 32 2d 33 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 32 00 1d 00 00 00 32 3b 31 2d 31 2d 39 3b 31 | ;2-3-9;2-1-28;..12.....2;1-1-9;1 |
531e0 | 2d 32 2d 32 38 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 33 00 10 00 00 00 39 3b 31 2d | -2-28;2-1-3;2-1-30;..13.....9;1- |
53200 | 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 31 34 00 24 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d 31 | 1-2;2-2-28;..14.$...28;1-1-2;1-1 |
53220 | 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 35 00 1d 00 00 00 | -3;2-1-9;2-2-11;2-1-28;..15..... |
53240 | 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 00 02 31 36 | 3;1-2-11;1-1-28;2-1-2;2-2-3;..16 |
53260 | 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 |
53280 | 3b 32 2d 31 2d 32 38 3b 00 02 31 37 00 22 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 38 3b 31 | ;2-1-28;..17."...3;1-1-3;1-1-8;1 |
532a0 | 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 38 00 23 00 00 00 38 3b 31 2d 31 | -1-11;2-1-1;2-2-3;..18.#...8;1-1 |
532c0 | 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 32 2d 31 36 3b 00 02 31 | -1;1-1-3;2-1-3;2-1-11;2-2-16;..1 |
532e0 | 39 00 16 00 00 00 31 3b 31 2d 31 2d 38 3b 31 2d 32 2d 31 36 3b 32 2d 31 2d 33 3b 00 02 32 30 00 | 9.....1;1-1-8;1-2-16;2-1-3;..20. |
53300 | 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 36 3b 00 02 32 31 00 16 | ....16;1-1-1;2-1-8;2-1-16;..21.. |
53320 | 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 00 00 04 64 61 74 61 | ...3;1-2-3;2-2-8;2-2-11;....data |
53340 | 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba | set_ids......0.V..4+r.5o....1.V. |
53360 | 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c | .:+r.5o....2.V..;+r.5o....3.V..< |
53380 | 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 | +r.5o....4.V..=+r.5o....5.V..>+r |
533a0 | ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 | .5o....6.V..?+r.5o....7.V..@+r.5 |
533c0 | 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 | o....8.V..A+r.5o....9.V..B+r.5o. |
533e0 | 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 | ...10.V..C+r.5o.....features./.. |
53400 | 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 | ..56ba0c342b72ed356f000000...... |
53420 | 30 00 e2 02 82 81 ab 21 d3 3f 00 00 02 73 6d 69 6c 65 73 00 38 00 00 00 43 4f 43 28 3d 4f 29 63 | 0......!.?...smiles.8...COC(=O)c |
53440 | 31 63 63 63 63 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 | 1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC(F |
53460 | 29 46 29 63 63 28 6e 31 29 4f 43 28 46 29 46 00 09 75 70 64 61 74 65 64 5f 61 74 00 13 ea bf c6 | )F)cc(n1)OC(F)F..updated_at..... |
53480 | 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 38 b5 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 | R....created_at.8...R....default |
534a0 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 16 00 00 00 02 69 6e 63 68 69 00 95 00 00 | _fingerprint_size......inchi.... |
534c0 | 00 49 6e 43 68 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 | .InChI=1S/C15H12F4N4O7S/c1-28-11 |
534e0 | 28 32 34 29 37 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 | (24)7-4-2-3-5-8(7)31(26,27)23-15 |
53500 | 28 32 35 29 32 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 | (25)22-14-20-9(29-12(16)17)6-10( |
53520 | 32 31 2d 31 34 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 | 21-14)30-13(18)19/h2-6,12-13H,1H |
53540 | 33 2c 28 48 32 2c 32 30 2c 32 31 2c 32 32 2c 32 33 2c 32 35 29 00 00 66 04 00 00 07 5f 69 64 00 | 3,(H2,20,21,22,23,25)..f...._id. |
53560 | 56 ba 0c 36 2b 72 ed 35 6f 00 01 63 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..6+r.5o..c.warnings.......fing |
53580 | 65 72 70 72 69 6e 74 73 00 31 02 00 00 04 4d 50 32 44 00 26 02 00 00 02 30 00 0f 00 00 00 38 3b | erprints.1....MP2D.&....0.....8; |
535a0 | 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 31 2d | 1-1-1;2-2-1;..1."...1;1-2-1;1-1- |
535c0 | 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 3b 31 | 8;2-3-1;2-1-8;2-1-11;..2.....1;1 |
535e0 | 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 2d 31 | -4-1;2-1-1;2-1-8;..3.....1;1-1-1 |
53600 | 3b 32 2d 33 2d 31 3b 00 02 34 00 2f 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 | ;2-3-1;..4./...1;1-1-1;1-1-8;1-1 |
53620 | 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 02 35 | -11;2-1-1;2-2-3;2-1-8;2-1-11;..5 |
53640 | 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 31 3b 32 2d 31 2d 31 | .0...11;1-1-1;1-1-3;1-1-11;2-1-1 |
53660 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 31 3b 00 02 36 00 24 00 00 00 31 31 3b 31 | ;2-1-3;2-1-8;2-1-11;..6.$...11;1 |
53680 | 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 00 | -1-3;1-1-11;2-1-1;2-1-3;2-1-11;. |
536a0 | 02 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 3b 00 02 38 | .7.....3;1-2-11;2-1-3;2-1-11;..8 |
536c0 | 00 11 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 39 00 1d 00 00 00 33 3b 31 | .....11;1-2-3;2-2-11;..9.....3;1 |
536e0 | 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 30 00 22 00 | -2-11;2-1-1;2-1-3;2-1-11;..10.". |
53700 | 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 32 2d 31 2d | ..8;1-1-1;1-1-3;2-1-1;2-2-3;2-1- |
53720 | 31 31 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 | 11;..11.....3;1-2-3;1-1-8;2-1-1; |
53740 | 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 |
53760 | 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 2d 31 2d 31 35 | -8;..13.....3;1-2-3;2-2-3;2-1-15 |
53780 | 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 00 | ;..14.....3;1-2-3;1-1-15;2-2-3;. |
537a0 | 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 04 64 61 74 61 73 | .15.....15;1-1-3;2-2-3;....datas |
537c0 | 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c | et_ids......0.V..4+r.5o....1.V.. |
537e0 | 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b | :+r.5o....2.V..;+r.5o....3.V..<+ |
53800 | 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed | r.5o....4.V..=+r.5o....5.V..=+r. |
53820 | 35 6f 00 01 c9 07 36 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f | 5o....6.V..>+r.5o....7.V..?+r.5o |
53840 | 00 01 cb 07 38 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 | ....8.V..?+r.5o....9.V..@+r.5o.. |
53860 | ce 07 31 30 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 | ..10.V..A+r.5o....11.V..B+r.5o.. |
53880 | d2 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 | ..12.V..C+r.5o.....features.:... |
538a0 | 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 | .56ba0c342b72ed356f000000......0 |
538c0 | 00 3f b7 0d 4a 8a a3 b5 3f 01 31 00 9c 33 5b 67 84 b8 d6 3f 00 00 02 73 6d 69 6c 65 73 00 24 00 | .?..J...?.1..3[g...?...smiles.$. |
538e0 | 00 00 4f 43 28 43 28 43 29 28 43 29 43 29 43 28 6e 31 6e 63 6e 63 31 29 4f 63 31 63 63 63 28 63 | ..OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(c |
53900 | 63 31 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 be e9 bf c6 52 01 00 00 09 63 72 65 61 74 | c1)Cl..updated_at.....R....creat |
53920 | 65 64 5f 61 74 00 3e b5 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 | ed_at.>...R....default_fingerpri |
53940 | 6e 74 5f 73 69 7a 65 00 10 00 00 00 02 69 6e 63 68 69 00 65 00 00 00 49 6e 43 68 49 3d 31 53 2f | nt_size......inchi.e...InChI=1S/ |
53960 | 43 31 34 48 31 38 43 6c 4e 33 4f 32 2f 63 31 2d 31 34 28 32 2c 33 29 31 32 28 31 39 29 31 33 28 | C14H18ClN3O2/c1-14(2,3)12(19)13( |
53980 | 31 38 2d 39 2d 31 36 2d 38 2d 31 37 2d 31 38 29 32 30 2d 31 31 2d 36 2d 34 2d 31 30 28 31 35 29 | 18-9-16-8-17-18)20-11-6-4-10(15) |
539a0 | 35 2d 37 2d 31 31 2f 68 34 2d 39 2c 31 32 2d 31 33 2c 31 39 48 2c 31 2d 33 48 33 00 00 5e 03 00 | 5-7-11/h4-9,12-13,19H,1-3H3..^.. |
539c0 | 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 64 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V..6+r.5o..d.warnings..... |
539e0 | 00 03 66 69 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 | ..fingerprints.|....MP2D.q....0. |
53a00 | 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 00 16 00 | ....32;1-1-2;2-1-1;2-1-32;..1... |
53a20 | 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 32 3b 32 2d 31 2d 38 3b 00 02 32 00 1c 00 00 00 31 | ..2;1-1-1;1-2-32;2-1-8;..2.....1 |
53a40 | 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 33 00 1b 00 | ;1-1-2;1-1-8;2-1-3;2-2-32;..3... |
53a60 | 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 33 3b 00 02 34 00 | ..8;1-1-1;1-1-3;2-1-2;2-2-3;..4. |
53a80 | 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;.. |
53aa0 | 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 16 00 | 5.....3;1-2-3;2-2-3;2-1-8;..6... |
53ac0 | 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 16 00 00 00 33 | ..3;1-2-3;2-2-3;2-1-15;..7.....3 |
53ae0 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 38 00 1c 00 00 00 33 3b 31 2d | ;1-2-3;1-1-15;2-2-3;..8.....3;1- |
53b00 | 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 39 00 1b 00 00 00 33 | 2-3;2-1-1;2-2-3;2-1-15;..9.....3 |
53b20 | 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 30 00 0f 00 | ;1-1-1;1-2-3;2-2-3;2-1-8;..10... |
53b40 | 00 00 31 3b 31 2d 31 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 | ..1;1-1-3;2-2-3;..11.....15;1-1- |
53b60 | 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 | 3;2-2-3;....dataset_ids......0.V |
53b80 | ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c | ..4+r.5o....1.V..:+r.5o....2.V.. |
53ba0 | 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b | ;+r.5o....3.V..<+r.5o....4.V..=+ |
53bc0 | 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed | r.5o....5.V..>+r.5o....6.V..?+r. |
53be0 | 35 6f 00 01 cb 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f | 5o....7.V..@+r.5o....8.V..A+r.5o |
53c00 | 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 | ....9.V..B+r.5o....10.V..C+r.5o. |
53c20 | 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 | ....features./....56ba0c342b72ed |
53c40 | 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 08 0d 3f 53 b4 6a 94 3f 00 00 02 73 6d 69 | 356f000000......0...?S.j.?...smi |
53c60 | 6c 65 73 00 16 00 00 00 4f 43 28 3d 4f 29 43 4f 63 31 63 63 63 28 63 63 31 43 29 43 6c 00 09 75 | les.....OC(=O)COc1ccc(cc1C)Cl..u |
53c80 | 70 64 61 74 65 64 5f 61 74 00 a2 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 44 b5 | pdated_at.....R....created_at.D. |
53ca0 | bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | ..R....default_fingerprint_size. |
53cc0 | 0c 00 00 00 02 69 6e 63 68 69 00 4b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 39 43 6c 4f 33 | .....inchi.K...InChI=1S/C9H9ClO3 |
53ce0 | 2f 63 31 2d 36 2d 34 2d 37 28 31 30 29 32 2d 33 2d 38 28 36 29 31 33 2d 35 2d 39 28 31 31 29 31 | /c1-6-4-7(10)2-3-8(6)13-5-9(11)1 |
53d00 | 32 2f 68 32 2d 34 48 2c 35 48 32 2c 31 48 33 2c 28 48 2c 31 31 2c 31 32 29 00 00 1a 05 00 00 07 | 2/h2-4H,5H2,1H3,(H,11,12)....... |
53d20 | 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 65 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..6+r.5o..e.warnings....... |
53d40 | 66 69 6e 67 65 72 70 72 69 6e 74 73 00 e9 02 00 00 04 4d 50 32 44 00 de 02 00 00 02 30 00 0f 00 | fingerprints......MP2D......0... |
53d60 | 00 00 31 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 00 02 31 00 15 00 00 00 39 3b 31 2d 31 2d 31 3b | ..1;1-1-9;2-1-2;..1.....9;1-1-1; |
53d80 | 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 02 32 00 21 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d | 1-1-2;2-1-2;..2.!...2;1-1-2;1-1- |
53da0 | 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 33 00 21 00 00 00 32 3b 31 2d | 9;2-1-1;2-1-2;2-1-3;..3.!...2;1- |
53dc0 | 32 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 34 00 | 2-2;1-1-3;2-2-3;2-1-8;2-2-9;..4. |
53de0 | 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 32 2d | !...3;1-1-2;1-2-3;2-2-2;2-2-3;2- |
53e00 | 31 2d 38 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 33 3b | 1-8;..5.....3;1-2-3;2-1-2;2-2-3; |
53e20 | 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 15 00 00 00 33 3b | ..6.....3;1-2-3;2-2-3;..7.....3; |
53e40 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 38 00 1b 00 00 00 33 3b 31 2d 32 2d | 1-2-3;2-2-3;2-1-8;..8.....3;1-2- |
53e60 | 33 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 02 39 00 16 00 00 00 38 3b 31 2d | 3;1-1-8;2-1-2;2-3-3;..9.....8;1- |
53e80 | 32 2d 33 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 31 2d | 2-3;2-3-3;2-1-11;..10.....3;1-1- |
53ea0 | 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 00 02 31 31 00 1d 00 00 00 31 31 | 3;1-1-8;1-1-11;2-3-3;..11.....11 |
53ec0 | 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 00 02 31 32 00 10 | ;1-2-3;2-1-3;2-1-8;2-1-11;..12.. |
53ee0 | 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 33 00 16 00 00 00 33 3b 31 2d 32 | ...3;1-2-11;2-2-3;..13.....3;1-2 |
53f00 | 2d 33 3b 32 2d 32 2d 38 3b 32 2d 32 2d 31 31 3b 00 02 31 34 00 1b 00 00 00 33 3b 31 2d 32 2d 33 | -3;2-2-8;2-2-11;..14.....3;1-2-3 |
53f20 | 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 32 2d 31 2d 34 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d | ;1-1-8;2-3-3;2-1-4;..15.....3;1- |
53f40 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 34 3b 00 02 31 36 00 21 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-2-3;2-1-4;..16.!...3;1-2-3 |
53f60 | 3b 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 31 37 00 15 00 | ;1-1-4;2-2-3;2-1-7;2-1-8;..17... |
53f80 | 00 00 34 3b 31 2d 31 2d 33 3b 31 2d 31 2d 37 3b 32 2d 32 2d 33 3b 00 02 31 38 00 0f 00 00 00 37 | ..4;1-1-3;1-1-7;2-2-3;..18.....7 |
53fa0 | 3b 31 2d 31 2d 34 3b 32 2d 31 2d 33 3b 00 02 31 39 00 27 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d | ;1-1-4;2-1-3;..19.'...2;1-1-2;1- |
53fc0 | 31 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 30 | 1-8;1-1-9;2-1-1;2-1-2;2-1-3;..20 |
53fe0 | 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 31 00 1b 00 | .....9;1-1-2;2-1-2;2-1-8;..21... |
54000 | 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 3b 00 02 32 32 | ..8;1-1-1;1-1-2;2-1-2;2-1-9;..22 |
54020 | 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 | .....1;1-1-8;2-1-2;....dataset_i |
54040 | 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed | ds......0.V..4+r.5o....1.V..9+r. |
54060 | 35 6f 00 01 c1 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f | 5o....2.V..;+r.5o....3.V..<+r.5o |
54080 | 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 | ....4.V..=+r.5o....5.V..>+r.5o.. |
540a0 | ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 | ..6.V..?+r.5o....7.V..@+r.5o.... |
540c0 | 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 | 8.V..A+r.5o....9.V..B+r.5o....10 |
540e0 | 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 | .V..C+r.5o.....features./....56b |
54100 | 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 ce de 5b | a0c342b72ed356f000000......0...[ |
54120 | 44 b2 c0 c3 3f 00 00 02 73 6d 69 6c 65 73 00 2e 00 00 00 43 4f 43 3d 43 28 63 31 63 63 63 63 63 | D...?...smiles.....COC=C(c1ccccc |
54140 | 31 4f 63 31 6e 63 6e 63 28 63 31 29 4f 63 31 63 63 63 63 63 31 43 23 4e 29 43 28 3d 4f 29 4f 43 | 1Oc1ncnc(c1)Oc1ccccc1C#N)C(=O)OC |
54160 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 50 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.P...R....created_at |
54180 | 00 4c b5 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | .L...R....default_fingerprint_si |
541a0 | 7a 65 00 17 00 00 00 02 69 6e 63 68 69 00 82 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 32 48 31 | ze......inchi.....InChI=1S/C22H1 |
541c0 | 37 4e 33 4f 35 2f 63 31 2d 32 37 2d 31 33 2d 31 37 28 32 32 28 32 36 29 32 38 2d 32 29 31 36 2d | 7N3O5/c1-27-13-17(22(26)28-2)16- |
541e0 | 38 2d 34 2d 36 2d 31 30 2d 31 39 28 31 36 29 33 30 2d 32 31 2d 31 31 2d 32 30 28 32 34 2d 31 34 | 8-4-6-10-19(16)30-21-11-20(24-14 |
54200 | 2d 32 35 2d 32 31 29 32 39 2d 31 38 2d 39 2d 35 2d 33 2d 37 2d 31 35 28 31 38 29 31 32 2d 32 33 | -25-21)29-18-9-5-3-7-15(18)12-23 |
54220 | 2f 68 33 2d 31 31 2c 31 33 2d 31 34 48 2c 31 2d 32 48 33 00 00 c1 03 00 00 07 5f 69 64 00 56 ba | /h3-11,13-14H,1-2H3......._id.V. |
54240 | 0c 36 2b 72 ed 35 6f 00 01 66 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | .6+r.5o..f.warnings.......finger |
54260 | 70 72 69 6e 74 73 00 b8 01 00 00 04 4d 50 32 44 00 ad 01 00 00 02 30 00 10 00 00 00 31 35 3b 31 | prints......MP2D......0.....15;1 |
54280 | 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 |
542a0 | 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 2d | 5;2-2-3;..2.....3;1-2-3;2-2-3;2- |
542c0 | 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 33 | 1-15;..3.....3;1-2-3;2-1-1;2-2-3 |
542e0 | 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 32 2d 31 | ;..4.....3;1-1-1;1-2-3;2-4-3;2-1 |
54300 | 2d 38 3b 00 02 35 00 15 00 00 00 31 3b 31 2d 33 2d 33 3b 31 2d 31 2d 38 3b 32 2d 36 2d 33 3b 00 | -8;..5.....1;1-3-3;1-1-8;2-6-3;. |
54320 | 02 36 00 22 00 00 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 | .6."...3;1-1-1;1-2-3;2-4-3;2-1-8 |
54340 | 3b 32 2d 31 2d 31 35 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 | ;2-1-15;..7.....3;1-2-3;2-2-3;.. |
54360 | 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 31 3b 32 2d 32 2d 33 | 8.....3;1-2-3;1-1-15;2-1-1;2-2-3 |
54380 | 3b 00 02 39 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 | ;..9."...3;1-1-1;1-2-3;2-2-3;2-1 |
543a0 | 2d 38 3b 32 2d 32 2d 31 31 3b 00 02 31 30 00 1c 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 | -8;2-2-11;..10.....3;1-1-3;1-1-1 |
543c0 | 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b | 1;2-1-1;2-2-3;..11.....11;1-2-3; |
543e0 | 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 32 00 10 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 | 2-1-3;2-1-11;..12.....3;1-2-11;2 |
54400 | 2d 32 2d 33 3b 00 02 31 33 00 0f 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 33 2d 33 3b 00 00 00 04 | -2-3;..13.....8;1-1-1;2-3-3;.... |
54420 | 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 | dataset_ids......0.V..4+r.5o.... |
54440 | 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 | 1.V..9+r.5o....2.V..;+r.5o....3. |
54460 | 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba | V..<+r.5o....4.V..=+r.5o....5.V. |
54480 | 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 | .>+r.5o....6.V..?+r.5o....7.V..@ |
544a0 | 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 | +r.5o....8.V..A+r.5o....9.V..B+r |
544c0 | ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 | .5o....10.V..C+r.5o.....features |
544e0 | 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 | ./....56ba0c342b72ed356f000000.. |
54500 | 00 00 00 01 30 00 8d 81 d7 bc dd 71 7c 3f 00 00 02 73 6d 69 6c 65 73 00 25 00 00 00 43 6c 63 31 | ....0......q|?...smiles.%...Clc1 |
54520 | 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 6e 63 31 29 4f | ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O |
54540 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 54 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.T...R....created_at |
54560 | 00 52 b5 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | .R...R....default_fingerprint_si |
54580 | 7a 65 00 0e 00 00 00 02 69 6e 63 68 69 00 63 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 37 48 31 | ze......inchi.c...InChI=1S/C17H1 |
545a0 | 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 34 29 31 37 28 | 2Cl2N2O/c18-14-7-5-12(6-8-14)17( |
545c0 | 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 2d 31 2d 32 2d | 22,13-9-20-11-21-10-13)15-3-1-2- |
545e0 | 34 2d 31 36 28 31 35 29 31 39 2f 68 31 2d 31 31 2c 32 32 48 00 00 15 02 00 00 07 5f 69 64 00 56 | 4-16(15)19/h1-11,22H......._id.V |
54600 | ba 0c 36 2b 72 ed 35 6f 00 01 67 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..6+r.5o..g.warnings.......finge |
54620 | 72 70 72 69 6e 74 73 00 5e 00 00 00 04 4d 50 32 44 00 53 00 00 00 02 30 00 11 00 00 00 33 32 3b | rprints.^....MP2D.S....0.....32; |
54640 | 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 2d 39 3b 31 2d | 1-1-14;2-2-9;..1.....14;1-2-9;1- |
54660 | 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 3b 32 2d 31 2d | 1-32;..2.....9;1-1-14;2-1-9;2-1- |
54680 | 33 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 | 32;....dataset_ids......0.V..4+r |
546a0 | ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 | .5o....1.V..:+r.5o....2.V..;+r.5 |
546c0 | 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 | o....3.V..<+r.5o....4.V..=+r.5o. |
546e0 | 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc | ...5.V..>+r.5o....6.V..?+r.5o... |
54700 | 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 | .7.V..@+r.5o....8.V..A+r.5o....9 |
54720 | 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 | .V..B+r.5o....10.V..C+r.5o.....f |
54740 | 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 | eatures./....56ba0c342b72ed356f0 |
54760 | 30 30 30 30 30 00 10 00 00 00 01 30 00 39 11 4d 21 2d 6b a8 3f 00 00 02 73 6d 69 6c 65 73 00 0f | 00000......0.9.M!-k.?...smiles.. |
54780 | 00 00 00 5b 4f 2d 5d 5b 42 72 5d 28 3d 4f 29 3d 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 6c ea | ...[O-][Br](=O)=O..updated_at.l. |
547a0 | bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 58 b5 bf c6 52 01 00 00 10 64 65 66 61 75 | ..R....created_at.X...R....defau |
547c0 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 03 00 00 00 02 69 6e 63 68 69 00 27 | lt_fingerprint_size......inchi.' |
547e0 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 42 72 48 4f 33 2f 63 32 2d 31 28 33 29 34 2f 68 28 48 2c 32 | ...InChI=1S/BrHO3/c2-1(3)4/h(H,2 |
54800 | 2c 33 2c 34 29 2f 70 2d 31 00 00 7a 02 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 68 | ,3,4)/p-1..z...._id.V..6+r.5o..h |
54820 | 04 77 61 72 6e 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 | .warnings.......fingerprints.... |
54840 | 00 04 4d 50 32 44 00 b2 00 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; |
54860 | 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 32 3b 00 02 32 | ..1.....1;1-1-1;1-1-8;2-1-12;..2 |
54880 | 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 31 2d 38 3b | ."...8;1-1-1;1-1-12;2-1-1;2-1-8; |
548a0 | 32 2d 31 2d 39 3b 00 02 33 00 16 00 00 00 31 32 3b 31 2d 32 2d 38 3b 31 2d 31 2d 39 3b 32 2d 31 | 2-1-9;..3.....12;1-2-8;1-1-9;2-1 |
548c0 | 2d 31 3b 00 02 34 00 10 00 00 00 39 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 38 3b 00 02 35 00 16 00 | -1;..4.....9;1-1-12;2-2-8;..5... |
548e0 | 00 00 38 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 00 00 04 64 61 74 61 73 | ..8;1-1-12;2-1-8;2-1-9;....datas |
54900 | 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c | et_ids......0.V..4+r.5o....1.V.. |
54920 | 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b | :+r.5o....2.V..;+r.5o....3.V..<+ |
54940 | 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed | r.5o....4.V..=+r.5o....5.V..>+r. |
54960 | 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f | 5o....6.V..?+r.5o....7.V..@+r.5o |
54980 | 00 01 cd 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 | ....8.V..A+r.5o....9.V..B+r.5o.. |
549a0 | d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 | ..10.V..C+r.5o.....features./... |
549c0 | 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 | .56ba0c342b72ed356f000000......0 |
549e0 | 00 2a 14 b4 f9 f5 13 0d 40 00 00 02 73 6d 69 6c 65 73 00 0a 00 00 00 43 43 4f 50 28 3d 4f 29 4f | .*......@...smiles.....CCOP(=O)O |
54a00 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 00 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.....R....created_at |
54a20 | 00 5d b5 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | .]...R....default_fingerprint_si |
54a40 | 7a 65 00 06 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 4f | ze......inchi.2...InChI=1S/C2H7O |
54a60 | 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 33 | 3P/c1-2-5-6(3)4/h6H,2H2,1H3,(H,3 |
54a80 | 2c 34 29 00 00 90 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 69 04 77 61 72 6e 69 | ,4)......._id.V..6+r.5o..i.warni |
54aa0 | 6e 67 73 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 | ngs.......fingerprints._....MP2D |
54ac0 | 00 54 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 | .T....0.....1;1-1-1;2-1-8;..1... |
54ae0 | 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 38 | ..1;1-1-1;1-1-8;2-1-12;..2.(...8 |
54b00 | 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 3b | ;1-1-1;1-1-12;2-1-1;2-1-5;2-1-8; |
54b20 | 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 31 | 2-1-9;..3."...12;1-1-5;1-2-8;1-1 |
54b40 | 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 3b | -9;2-2-1;2-1-3;..4.....9;1-1-12; |
54b60 | 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 2d | 2-1-5;2-2-8;..5.(...8;1-1-3;1-1- |
54b80 | 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 1c | 12;2-2-3;2-1-5;2-1-8;2-1-9;..6.. |
54ba0 | 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 02 | ...3;1-2-3;1-1-8;2-2-3;2-1-12;.. |
54bc0 | 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 00 | 7.....3;1-2-3;2-2-3;2-1-8;..8... |
54be0 | 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 33 | ..3;1-2-3;2-2-3;2-1-10;..9.....3 |
54c00 | 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 1c | ;1-2-3;1-1-10;2-2-1;2-2-3;..10.. |
54c20 | 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 02 | ...3;1-1-1;1-2-3;2-2-3;2-1-10;.. |
54c40 | 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 38 | 11.....3;1-2-3;2-1-1;2-2-3;2-1-8 |
54c60 | 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 00 | ;..12.....1;1-1-3;2-2-3;..13.... |
54c80 | 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 31 | .10;1-1-1;1-1-3;2-2-3;..14.....1 |
54ca0 | 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 31 | ;1-1-10;2-1-3;..15."...5;1-1-1;1 |
54cc0 | 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 00 | -1-12;2-2-1;2-2-8;2-1-9;..16.... |
54ce0 | 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 31 | .1;1-2-1;1-1-5;2-1-12;..17.....1 |
54d00 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 | ;1-1-1;2-1-1;2-1-5;....dataset_i |
54d20 | 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed | ds......0.V..4+r.5o....1.V..9+r. |
54d40 | 35 6f 00 01 c1 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 33 00 56 ba 0c 3a 2b 72 ed 35 6f | 5o....2.V..:+r.5o....3.V..:+r.5o |
54d60 | 00 01 c3 07 34 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 35 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 | ....4.V..;+r.5o....5.V..<+r.5o.. |
54d80 | c6 07 36 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 37 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 | ..6.V..=+r.5o....7.V..>+r.5o.... |
54da0 | 38 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 30 | 8.V..?+r.5o....9.V..@+r.5o....10 |
54dc0 | 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 | .V..A+r.5o....11.V..B+r.5o....12 |
54de0 | 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 | .V..C+r.5o.....features.:....56b |
54e00 | 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 79 a8 eb | a0c342b72ed356f000000......0.y.. |
54e20 | 97 da 40 74 3f 01 31 00 ab 7a 71 f0 2a f4 76 3f 00 00 02 73 6d 69 6c 65 73 00 21 00 00 00 43 43 | ..@t?.1..zq.*.v?...smiles.!...CC |
54e40 | 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 00 09 | OP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C.. |
54e60 | 75 70 64 61 74 65 64 5f 61 74 00 c9 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 67 | updated_at.....R....created_at.g |
54e80 | b5 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | ...R....default_fingerprint_size |
54ea0 | 00 12 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 32 4e | ......inchi.d...InChI=1S/C13H22N |
54ec0 | 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 37 2d | O3PS/c1-6-16-18(15,14-10(2)3)17- |
54ee0 | 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 48 2c | 12-7-8-13(19-5)11(4)9-12/h7-10H, |
54f00 | 36 48 32 2c 31 2d 35 48 33 2c 28 48 2c 31 34 2c 31 35 29 00 00 ee 02 00 00 07 5f 69 64 00 56 ba | 6H2,1-5H3,(H,14,15)......._id.V. |
54f20 | 0c 36 2b 72 ed 35 6f 00 01 6a 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | .6+r.5o..j.warnings.......finger |
54f40 | 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 31 3b 31 2d | prints......MP2D......0.....1;1- |
54f60 | 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; |
54f80 | 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 2d | 2-1-12;..2.*...8;1-1-1;1-1-12;2- |
54fa0 | 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 00 | 1-1;2-1-8;2-1-10;2-1-18;..3..... |
54fc0 | 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 34 | 12;1-2-8;1-1-10;1-1-18;2-3-1;..4 |
54fe0 | 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 00 | .....18;1-1-12;2-2-8;2-1-10;..5. |
55000 | 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 2d 31 30 | %...10;1-1-1;1-1-12;2-2-8;2-1-10 |
55020 | 3b 32 2d 31 2d 31 38 3b 00 02 36 00 11 00 00 00 31 3b 31 2d 32 2d 31 30 3b 32 2d 32 2d 31 32 3b | ;2-1-18;..6.....1;1-2-10;2-2-12; |
55040 | 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f | ....dataset_ids......0.V..4+r.5o |
55060 | 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 | ....1.V..:+r.5o....2.V..;+r.5o.. |
55080 | c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 | ..3.V..<+r.5o....4.V..=+r.5o.... |
550a0 | 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 | 5.V..>+r.5o....6.V..?+r.5o....7. |
550c0 | 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba | V..@+r.5o....8.V..A+r.5o....9.V. |
550e0 | 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 | .B+r.5o....10.V..C+r.5o.....feat |
55100 | 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 | ures./....56ba0c342b72ed356f0000 |
55120 | 30 30 00 10 00 00 00 01 30 00 f8 86 7a 0d 92 4e 75 3f 00 00 02 73 6d 69 6c 65 73 00 1e 00 00 00 | 00......0...z..Nu?...smiles..... |
55140 | 43 43 4f 50 28 3d 53 29 28 4f 43 43 29 53 43 53 50 28 3d 53 29 28 4f 43 43 29 4f 43 43 00 09 75 | CCOP(=S)(OCC)SCSP(=S)(OCC)OCC..u |
55160 | 70 64 61 74 65 64 5f 61 74 00 fe e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 72 b5 | pdated_at.....R....created_at.r. |
55180 | bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | ..R....default_fingerprint_size. |
551a0 | 07 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 48 32 32 4f 34 50 | .....inchi.S...InChI=1S/C9H22O4P |
551c0 | 32 53 34 2f 63 31 2d 35 2d 31 30 2d 31 34 28 31 36 2c 31 31 2d 36 2d 32 29 31 38 2d 39 2d 31 39 | 2S4/c1-5-10-14(16,11-6-2)18-9-19 |
551e0 | 2d 31 35 28 31 37 2c 31 32 2d 37 2d 33 29 31 33 2d 38 2d 34 2f 68 35 2d 39 48 32 2c 31 2d 34 48 | -15(17,12-7-3)13-8-4/h5-9H2,1-4H |
55200 | 33 00 00 5e 03 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 6b 04 77 61 72 6e 69 6e 67 | 3..^...._id.V..6+r.5o..k.warning |
55220 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 4b 01 00 00 04 4d 50 32 44 00 40 | s.......fingerprints.K....MP2D.@ |
55240 | 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 0f 00 00 00 | ....0.....1;1-1-1;2-1-1;..1..... |
55260 | 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 31 3b 32 2d | 1;1-2-1;2-1-1;..2.....1;1-2-1;2- |
55280 | 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 00 02 34 00 15 00 | 2-1;..3.....1;1-2-1;2-3-1;..4... |
552a0 | 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 1b 00 00 00 31 3b | ..1;1-3-1;2-2-1;2-1-8;..5.....1; |
552c0 | 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 36 00 1b 00 00 00 | 1-1-1;1-1-8;2-2-1;2-1-2;..6..... |
552e0 | 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 37 00 1b 00 | 8;1-1-1;1-1-2;2-2-1;2-1-9;..7... |
55300 | 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 02 38 00 | ..2;1-1-1;1-1-8;1-1-9;2-2-1;..8. |
55320 | 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 21 00 00 00 | ....9;1-1-2;2-1-1;2-1-8;..9.!... |
55340 | 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; |
55360 | 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 2d 32 3b 00 00 00 | ..10.....1;1-2-1;2-1-1;2-1-2;... |
55380 | 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 | .dataset_ids......0.V..4+r.5o... |
553a0 | 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 | .1.V..:+r.5o....2.V..;+r.5o....3 |
553c0 | 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 | .V..<+r.5o....4.V..=+r.5o....5.V |
553e0 | ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c | ..=+r.5o....6.V..?+r.5o....7.V.. |
55400 | 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b | @+r.5o....8.V..A+r.5o....9.V..B+ |
55420 | 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 | r.5o....10.V..C+r.5o.....feature |
55440 | 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 | s./....56ba0c342b72ed356f000000. |
55460 | 10 00 00 00 01 30 00 05 a9 2a 57 01 31 10 40 00 00 02 73 6d 69 6c 65 73 00 25 00 00 00 43 43 43 | .....0...*W.1.@...smiles.%...CCC |
55480 | 43 43 28 43 4f 43 28 3d 4f 29 43 43 43 43 43 28 3d 4f 29 4f 43 43 28 43 43 43 43 29 43 43 29 43 | CC(COC(=O)CCCCC(=O)OCC(CCCC)CC)C |
554a0 | 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 87 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 | C..updated_at.....R....created_a |
554c0 | 74 00 78 b5 bf c6 52 01 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.x...R....default_fingerprint_s |
554e0 | 69 7a 65 00 0b 00 00 00 02 69 6e 63 68 69 00 6d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 32 48 | ize......inchi.m...InChI=1S/C22H |
55500 | 34 32 4f 34 2f 63 31 2d 35 2d 39 2d 31 33 2d 31 39 28 37 2d 33 29 31 37 2d 32 35 2d 32 31 28 32 | 42O4/c1-5-9-13-19(7-3)17-25-21(2 |
55520 | 33 29 31 35 2d 31 31 2d 31 32 2d 31 36 2d 32 32 28 32 34 29 32 36 2d 31 38 2d 32 30 28 38 2d 34 | 3)15-11-12-16-22(24)26-18-20(8-4 |
55540 | 29 31 34 2d 31 30 2d 36 2d 32 2f 68 31 39 2d 32 30 48 2c 35 2d 31 38 48 32 2c 31 2d 34 48 33 00 | )14-10-6-2/h19-20H,5-18H2,1-4H3. |
55560 | 00 f1 0b 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 6c 04 77 61 72 6e 69 6e 67 73 00 | ......_id.V..6+r.5o..l.warnings. |
55580 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 39 08 00 00 04 4d 50 32 44 00 2e 08 00 | ......fingerprints.9....MP2D.... |
555a0 | 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 00 38 3b | ..0.....1;1-1-8;2-1-1;..1.....8; |
555c0 | 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 33 3b 00 02 32 00 29 00 00 00 31 3b 31 2d 32 | 1-2-1;2-2-1;2-1-13;..2.)...1;1-2 |
555e0 | 2d 31 3b 31 2d 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 | -1;1-1-8;1-1-13;2-3-1;2-1-8;2-1- |
55600 | 31 33 3b 00 02 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 | 13;..3.....13;1-1-1;2-2-1;2-1-8; |
55620 | 00 02 34 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 33 2d 38 3b 32 2d 32 2d | ..4.....1;1-2-1;2-1-1;2-3-8;2-2- |
55640 | 31 33 3b 00 02 35 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 38 3b 31 2d 31 2d 31 33 3b | 13;..5.....1;1-1-1;1-2-8;1-1-13; |
55660 | 32 2d 33 2d 31 3b 00 02 36 00 16 00 00 00 31 33 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 32 | 2-3-1;..6.....13;1-1-1;2-1-1;2-2 |
55680 | 2d 38 3b 00 02 37 00 22 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 | -8;..7."...8;1-2-1;2-2-1;2-1-2;2 |
556a0 | 2d 31 2d 38 3b 32 2d 32 2d 31 33 3b 00 02 38 00 2f 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -1-8;2-2-13;..8./...1;1-1-1;1-1- |
556c0 | 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 33 3b 32 2d 33 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 31 | 2;1-1-8;1-1-13;2-3-1;2-2-2;2-1-1 |
556e0 | 33 3b 00 02 39 00 1c 00 00 00 31 33 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 | 3;..9.....13;1-1-1;2-1-1;2-1-2;2 |
55700 | 2d 31 2d 38 3b 00 02 31 30 00 29 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d | -1-8;..10.)...1;1-2-1;1-1-2;1-1- |
55720 | 31 33 3b 32 2d 32 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 33 3b 00 02 31 31 00 16 00 00 00 31 | 13;2-2-2;2-1-8;2-1-13;..11.....1 |
55740 | 33 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 32 00 1c 00 00 00 31 3b 31 | 3;1-1-1;2-2-1;2-1-2;..12.....1;1 |
55760 | 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 31 33 00 22 00 00 | -1-1;2-1-1;2-1-2;2-1-13;..13.".. |
55780 | 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 32 3b 32 2d 31 2d 31 | .2;1-1-1;1-1-2;2-2-1;2-1-2;2-1-1 |
557a0 | 33 3b 00 02 31 34 00 15 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 | 3;..14.....2;1-2-2;2-1-1;2-1-2;. |
557c0 | 02 31 35 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 36 | .15.....2;1-2-2;2-2-1;2-1-2;..16 |
557e0 | 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 32 3b 32 | .!...2;1-2-1;1-1-2;2-2-1;2-1-2;2 |
55800 | 2d 32 2d 38 3b 00 02 31 37 00 1b 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 32 2d | -2-8;..17.....1;1-1-2;1-1-8;2-2- |
55820 | 31 3b 32 2d 31 2d 32 3b 00 02 31 38 00 1c 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 | 1;2-1-2;..18.....8;1-2-1;2-2-1;2 |
55840 | 2d 31 2d 32 3b 32 2d 31 2d 31 33 3b 00 02 31 39 00 2f 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 | -1-2;2-1-13;..19./...1;1-2-1;1-1 |
55860 | 2d 38 3b 31 2d 31 2d 31 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 32 2d 32 2d 38 3b 32 2d 31 2d | -8;1-1-13;2-2-1;2-2-2;2-2-8;2-1- |
55880 | 31 33 3b 00 02 32 30 00 2e 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b | 13;..20.....1;1-2-1;1-1-2;1-1-8; |
558a0 | 32 2d 32 2d 31 3b 32 2d 33 2d 32 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 33 3b 00 02 32 31 00 15 00 | 2-2-1;2-3-2;2-1-8;2-2-13;..21... |
558c0 | 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 32 00 2e 00 00 00 31 | ..8;1-1-1;2-2-1;2-1-2;..22.....1 |
558e0 | 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 31 2d 31 2d 31 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b | ;1-1-1;1-2-2;1-1-13;2-1-1;2-2-2; |
55900 | 32 2d 32 2d 38 3b 32 2d 31 2d 39 3b 00 02 32 33 00 16 00 00 00 31 33 3b 31 2d 31 2d 31 3b 32 2d | 2-2-8;2-1-9;..23.....13;1-1-1;2- |
55920 | 31 2d 31 3b 32 2d 32 2d 32 3b 00 02 32 34 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | 1-1;2-2-2;..24."...2;1-1-1;1-1-2 |
55940 | 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 33 3b 00 02 32 35 00 22 00 00 00 32 3b 31 | ;2-3-1;2-1-2;2-1-13;..25."...2;1 |
55960 | 2d 32 2d 31 3b 31 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 | -2-1;1-1-2;2-2-1;2-1-8;2-1-13;.. |
55980 | 32 36 00 35 00 00 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 31 | 26.5...1;1-1-1;1-1-2;1-1-8;1-1-1 |
559a0 | 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 33 3b 00 02 32 37 00 | 3;2-2-1;2-1-2;2-1-8;2-1-13;..27. |
559c0 | 1c 00 00 00 38 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 3b 00 | ....8;1-1-1;2-1-1;2-1-2;2-1-13;. |
559e0 | 02 32 38 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 32 39 | .28.....1;1-1-2;2-1-1;2-1-2;..29 |
55a00 | 00 28 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 |
55a20 | 2d 31 2d 32 3b 32 2d 31 2d 31 33 3b 00 02 33 30 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 | -1-2;2-1-13;..30.....9;1-1-2;2-1 |
55a40 | 2d 31 3b 32 2d 31 2d 38 3b 00 02 33 31 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b | -1;2-1-8;..31."...8;1-1-1;1-1-2; |
55a60 | 32 2d 33 2d 31 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 33 3b 00 02 33 32 00 22 00 00 00 31 3b 31 2d | 2-3-1;2-1-9;2-1-13;..32."...1;1- |
55a80 | 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 2d 32 3b 00 02 33 | 2-1;1-1-8;1-1-13;2-2-1;2-1-2;..3 |
55aa0 | 33 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 32 2d 32 2d 31 33 | 3.....1;1-2-1;2-2-1;2-2-8;2-2-13 |
55ac0 | 3b 00 02 33 34 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 | ;..34.(...1;1-1-1;1-1-2;2-1-1;2- |
55ae0 | 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 33 3b 00 02 33 35 00 15 00 00 00 32 3b 31 2d 31 2d | 1-2;2-1-8;2-1-13;..35.....2;1-1- |
55b00 | 31 3b 31 2d 31 2d 32 3b 32 2d 33 2d 31 3b 00 02 33 36 00 22 00 00 00 38 3b 31 2d 32 2d 31 3b 32 | 1;1-1-2;2-3-1;..36."...8;1-2-1;2 |
55b20 | 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 02 33 37 00 21 00 00 | -3-1;2-1-2;2-1-8;2-1-13;..37.!.. |
55b40 | 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 |
55b60 | 3b 00 02 33 38 00 22 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 | ;..38."...1;1-2-1;2-1-1;2-1-2;2- |
55b80 | 33 2d 38 3b 32 2d 31 2d 31 33 3b 00 02 33 39 00 1b 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 3-8;2-1-13;..39.....2;1-1-1;1-1- |
55ba0 | 32 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 34 30 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 | 2;2-2-1;2-2-8;..40.....2;1-1-1;1 |
55bc0 | 2d 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 31 33 3b 00 02 34 31 00 2f 00 00 00 31 3b 31 2d 32 | -1-2;2-3-1;2-1-13;..41./...1;1-2 |
55be0 | 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 2d 32 3b 32 2d 31 2d | -1;1-1-2;1-1-13;2-1-1;2-1-2;2-1- |
55c00 | 38 3b 32 2d 31 2d 31 33 3b 00 02 34 32 00 29 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b | 8;2-1-13;..42.)...1;1-2-1;1-1-8; |
55c20 | 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 02 34 33 00 23 | 1-1-13;2-4-1;2-1-2;2-2-13;..43.# |
55c40 | 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 31 33 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 32 2d | ...1;1-3-1;1-1-13;2-2-1;2-1-8;2- |
55c60 | 31 2d 31 33 3b 00 02 34 34 00 10 00 00 00 31 33 3b 31 2d 31 2d 31 3b 32 2d 33 2d 31 3b 00 02 34 | 1-13;..44.....13;1-1-1;2-3-1;..4 |
55c80 | 35 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 33 3b 00 02 34 36 00 | 5.....1;1-2-1;2-2-1;2-1-13;..46. |
55ca0 | 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 00 02 34 37 00 16 00 00 00 31 3b 31 2d 31 | ....1;1-1-1;2-1-1;..47.....1;1-1 |
55cc0 | 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 33 3b 00 02 34 38 00 1c 00 00 00 38 3b 31 2d 32 2d 31 | -1;2-2-1;2-1-13;..48.....8;1-2-1 |
55ce0 | 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 33 3b 00 02 34 39 00 29 00 00 00 31 3b 31 | ;2-3-1;2-1-8;2-2-13;..49.)...1;1 |
55d00 | 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 2d 38 3b 32 2d | -2-1;1-1-8;1-1-13;2-2-1;2-1-8;2- |
55d20 | 31 2d 31 33 3b 00 02 35 30 00 29 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 2d | 1-13;..50.)...1;1-2-1;1-1-8;1-1- |
55d40 | 31 33 3b 32 2d 33 2d 31 3b 32 2d 32 2d 38 3b 32 2d 32 2d 31 33 3b 00 02 35 31 00 29 00 00 00 31 | 13;2-3-1;2-2-8;2-2-13;..51.)...1 |
55d60 | 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 32 2d 38 3b | ;1-2-1;1-1-8;1-1-13;2-2-1;2-2-8; |
55d80 | 32 2d 32 2d 31 33 3b 00 02 35 32 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d | 2-2-13;..52.....1;1-1-1;2-1-1;2- |
55da0 | 31 2d 38 3b 32 2d 31 2d 31 33 3b 00 02 35 33 00 16 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d | 1-8;2-1-13;..53.....8;1-1-1;2-2- |
55dc0 | 31 3b 32 2d 31 2d 31 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 | 1;2-1-13;....dataset_ids......0. |
55de0 | 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba | V..4+r.5o....1.V..:+r.5o....2.V. |
55e00 | 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d | .;+r.5o....3.V..<+r.5o....4.V..= |
55e20 | 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 | +r.5o....5.V..>+r.5o....6.V..?+r |
55e40 | ed 35 6f 00 01 cb 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 | .5o....7.V..@+r.5o....8.V..A+r.5 |
55e60 | 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f | o....9.V..B+r.5o....10.V..C+r.5o |
55e80 | 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 | .....features./....56ba0c342b72e |
55ea0 | 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 4e da d5 82 0c c4 62 3f 00 00 02 73 6d | d356f000000......0.N.....b?...sm |
55ec0 | 69 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 | iles.....CO[C@H]1C[C@H](O[C@H]2[ |
55ee0 | 43 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 | C@@H](C)C=CC=C3CO[C@H]4[C@]3(O)[ |
55f00 | 43 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 | C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3 |
55f20 | 43 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 | C[C@@H](CC=C2C)O[C@]2(C3)C=C[C@@ |
55f40 | 48 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 | H]([C@H](O2)[C@H](CC)C)C)O[C@H]( |
55f60 | 5b 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 | [C@@H]1O[C@H]1C[C@H](OC)[C@H]([C |
55f80 | 40 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 9b e9 bf c6 52 01 | @@H](O1)C)O)C..updated_at.....R. |
55fa0 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 88 b5 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at.....R....default_f |
55fc0 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 36 00 00 00 02 69 6e 63 68 69 00 72 01 00 00 49 | ingerprint_size.6....inchi.r...I |
55fe0 | 6e 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 | nChI=1S/C48H72O14/c1-11-25(2)43- |
56000 | 32 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 | 28(5)17-18-47(62-43)23-34-20-33( |
56020 | 36 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 | 61-47)16-15-27(4)42(26(3)13-12-1 |
56040 | 34 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 | 4-32-24-55-45-40(49)29(6)19-35(4 |
56060 | 36 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 | 6(51)58-34)48(32,45)52)59-39-22- |
56080 | 33 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 | 37(54-10)44(31(8)57-39)60-38-21- |
560a0 | 33 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 | 36(53-9)41(50)30(7)56-38/h12-15, |
560c0 | 31 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 | 17-19,25-26,28,30-31,33-45,49-50 |
560e0 | 2c 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 | ,52H,11,16,20-24H2,1-10H3/t25-,2 |
56100 | 36 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 | 6-,28-,30-,31-,33+,34-,35-,36-,3 |
56120 | 37 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 | 7-,38-,39-,40+,41-,42-,43+,44-,4 |
56140 | 35 2b 2c 34 37 2b 2c 34 38 2b 2f 6d 30 2f 73 31 00 00 f1 01 00 00 07 5f 69 64 00 56 ba 0c 36 2b | 5+,47+,48+/m0/s1......._id.V..6+ |
56160 | 72 ed 35 6f 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 | r.5o..m.warnings.......fingerpri |
56180 | 6e 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 | nts.U....MP2D.J....0.....15;1-1- |
561a0 | 34 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 | 4;2-1-7;..1.....4;1-1-7;1-1-15;. |
561c0 | 02 32 00 10 00 00 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 2d 31 35 3b 00 00 00 04 64 61 74 61 73 65 | .2.....7;1-1-4;2-1-15;....datase |
561e0 | 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a | t_ids......0.V..4+r.5o....1.V..: |
56200 | 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 | +r.5o....2.V..;+r.5o....3.V..<+r |
56220 | ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 | .5o....4.V..=+r.5o....5.V..=+r.5 |
56240 | 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 | o....6.V..?+r.5o....7.V..@+r.5o. |
56260 | 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 | ...8.V..A+r.5o....9.V..B+r.5o... |
56280 | 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 | .10.V..C+r.5o.....features./.... |
562a0 | 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 | 56ba0c342b72ed356f000000......0. |
562c0 | 29 2c 0f d9 5b 38 f2 3f 00 00 02 73 6d 69 6c 65 73 00 06 00 00 00 43 6c 43 23 4e 00 09 75 70 64 | ),..[8.?...smiles.....ClC#N..upd |
562e0 | 61 74 65 64 5f 61 74 00 65 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 95 b5 bf c6 | ated_at.e...R....created_at..... |
56300 | 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 03 00 | R....default_fingerprint_size... |
56320 | 00 00 02 69 6e 63 68 69 00 15 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 43 6c 4e 2f 63 32 2d 31 2d | ...inchi.....InChI=1S/CClN/c2-1- |
56340 | 33 00 00 f1 01 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 6e 04 77 61 72 6e 69 6e 67 | 3......._id.V..6+r.5o..n.warning |
56360 | 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 4a | s.......fingerprints.U....MP2D.J |
56380 | 00 00 00 02 30 00 10 00 00 00 31 34 3b 31 2d 31 2d 34 3b 32 2d 31 2d 37 3b 00 02 31 00 10 00 00 | ....0.....14;1-1-4;2-1-7;..1.... |
563a0 | 00 34 3b 31 2d 31 2d 37 3b 31 2d 31 2d 31 34 3b 00 02 32 00 10 00 00 00 37 3b 31 2d 31 2d 34 3b | .4;1-1-7;1-1-14;..2.....7;1-1-4; |
563c0 | 32 2d 31 2d 31 34 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba | 2-1-14;....dataset_ids......0.V. |
563e0 | 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b | .4+r.5o....1.V..:+r.5o....2.V..; |
56400 | 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 | +r.5o....3.V..<+r.5o....4.V..=+r |
56420 | ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 ed 35 | .5o....5.V..=+r.5o....6.V..?+r.5 |
56440 | 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 | o....7.V..@+r.5o....8.V..A+r.5o. |
56460 | 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 | ...9.V..B+r.5o....10.V..C+r.5o.. |
56480 | d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 | ...features./....56ba0c342b72ed3 |
564a0 | 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 41 a6 b6 2d c3 6d f2 3f 00 00 02 73 6d 69 6c | 56f000000......0.A..-.m.?...smil |
564c0 | 65 73 00 06 00 00 00 42 72 43 23 4e 00 09 75 70 64 61 74 65 64 5f 61 74 00 58 e9 bf c6 52 01 00 | es.....BrC#N..updated_at.X...R.. |
564e0 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 9b b5 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at.....R....default_fi |
56500 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 03 00 00 00 02 69 6e 63 68 69 00 15 00 00 00 49 6e | ngerprint_size......inchi.....In |
56520 | 43 68 49 3d 31 53 2f 43 42 72 4e 2f 63 32 2d 31 2d 33 00 00 ac 02 00 00 07 5f 69 64 00 56 ba 0c | ChI=1S/CBrN/c2-1-3......._id.V.. |
56540 | 36 2b 72 ed 35 6f 00 01 6f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | 6+r.5o..o.warnings.......fingerp |
56560 | 72 69 6e 74 73 00 d0 00 00 00 04 4d 50 32 44 00 c5 00 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 | rints......MP2D......0.....1;1-1 |
56580 | 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 32 | -8;2-1-2;..1.....8;1-1-1;1-1-2;2 |
565a0 | 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 31 2d 38 | -1-3;2-1-9;..2.!...2;1-1-3;1-1-8 |
565c0 | 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 31 2d 31 | ;1-1-9;2-1-1;2-2-3;..3.....9;1-1 |
565e0 | 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 31 2d 31 2d 32 3b 31 | -2;2-1-3;2-1-8;..4.!...3;1-1-2;1 |
56600 | 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 35 00 15 00 00 00 33 | -2-3;2-2-3;2-1-8;2-1-9;..5.....3 |
56620 | 3b 31 2d 32 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 | ;1-2-3;2-1-2;2-2-3;....dataset_i |
56640 | 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed | ds......0.V..4+r.5o....1.V..:+r. |
56660 | 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f | 5o....2.V..;+r.5o....3.V..<+r.5o |
56680 | 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 | ....4.V..=+r.5o....5.V..>+r.5o.. |
566a0 | ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 | ..6.V..?+r.5o....7.V..@+r.5o.... |
566c0 | 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 30 | 8.V..A+r.5o....9.V..B+r.5o....10 |
566e0 | 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 | .V..C+r.5o.....features./....56b |
56700 | 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 c1 ec 50 | a0c342b72ed356f000000......0...P |
56720 | 57 59 99 e4 3f 00 00 02 73 6d 69 6c 65 73 00 19 00 00 00 43 4f 43 28 3d 4f 29 63 31 63 63 63 28 | WY..?...smiles.....COC(=O)c1ccc( |
56740 | 63 63 31 29 43 28 3d 4f 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 77 ea bf c6 52 01 00 00 | cc1)C(=O)OC..updated_at.w...R... |
56760 | 09 63 72 65 61 74 65 64 5f 61 74 00 b9 b5 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.....R....default_fin |
56780 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 06 00 00 00 02 69 6e 63 68 69 00 42 00 00 00 49 6e 43 | gerprint_size......inchi.B...InC |
567a0 | 68 49 3d 31 53 2f 43 31 30 48 31 30 4f 34 2f 63 31 2d 31 33 2d 39 28 31 31 29 37 2d 33 2d 35 2d | hI=1S/C10H10O4/c1-13-9(11)7-3-5- |
567c0 | 38 28 36 2d 34 2d 37 29 31 30 28 31 32 29 31 34 2d 32 2f 68 33 2d 36 48 2c 31 2d 32 48 33 00 00 | 8(6-4-7)10(12)14-2/h3-6H,1-2H3.. |
567e0 | 76 05 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 70 04 77 61 72 6e 69 6e 67 73 00 05 | v...._id.V..6+r.5o..p.warnings.. |
56800 | 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 43 03 00 00 04 4d 50 32 44 00 38 03 00 00 | .....fingerprints.C....MP2D.8... |
56820 | 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 00 38 3b 31 | .0.....1;1-1-8;2-1-3;..1.....8;1 |
56840 | 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 31 2d 31 2d | -1-1;1-1-3;2-2-11;..2.....3;1-1- |
56860 | 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 00 31 31 3b | 8;1-2-11;2-1-1;2-2-3;..3.....11; |
56880 | 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 34 00 1d 00 | 1-2-3;2-1-8;2-2-11;2-1-28;..4... |
568a0 | 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 33 3b 00 02 | ..3;1-2-11;1-1-28;2-1-2;2-2-3;.. |
568c0 | 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 32 2d 31 2d | 5.....11;1-2-3;2-1-1;2-2-11;2-1- |
568e0 | 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 32 2d 33 3b | 28;..6.....3;1-1-1;1-2-11;2-2-3; |
56900 | 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 3b 32 2d 32 | ..7.....11;1-2-3;2-1-1;2-1-8;2-2 |
56920 | 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 02 39 00 24 | -11;..8.....1;1-1-3;2-2-11;..9.$ |
56940 | 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 32 | ...28;1-1-2;1-1-3;2-1-9;2-2-11;2 |
56960 | 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 38 3b 32 2d | -1-28;..10.....2;1-1-9;1-2-28;2- |
56980 | 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- |
569a0 | 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- |
569c0 | 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 |
569e0 | 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.. |
56a00 | 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;. |
56a20 | 02 31 35 00 29 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d 32 3b 32 2d 32 | .15.)...3;1-2-3;1-1-30;2-1-2;2-2 |
56a40 | 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 36 00 16 00 00 00 33 3b 31 2d 32 2d 33 | -3;2-2-9;2-1-28;..16.....3;1-2-3 |
56a60 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 37 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | ;2-2-3;2-1-30;..17.....3;1-2-3;2 |
56a80 | 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 32 3b 32 2d 32 2d | -2-3;..18.....3;1-2-3;2-1-2;2-2- |
56aa0 | 33 3b 00 02 31 39 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 | 3;..19.(...3;1-1-2;1-2-3;2-2-3;2 |
56ac0 | 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 33 30 3b 00 02 32 30 00 21 00 00 00 32 3b 31 2d 31 | -1-8;2-1-9;2-1-30;..20.!...2;1-1 |
56ae0 | 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 32 31 00 | -3;1-1-8;1-1-9;2-1-1;2-2-3;..21. |
56b00 | 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 32 00 1b 00 00 | ....9;1-1-2;2-1-3;2-1-8;..22.... |
56b20 | 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 02 32 33 00 | .8;1-1-1;1-1-2;2-1-3;2-1-9;..23. |
56b40 | 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 | ....1;1-1-8;2-1-2;....dataset_id |
56b60 | 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 | s......0.V..4+r.5o....1.V..:+r.5 |
56b80 | 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 | o....2.V..;+r.5o....3.V..<+r.5o. |
56ba0 | 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca | ...4.V..=+r.5o....5.V..>+r.5o... |
56bc0 | 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 | .6.V..?+r.5o....7.V..@+r.5o....8 |
56be0 | 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 | .V..A+r.5o....9.V..B+r.5o....10. |
56c00 | 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 | V..C+r.5o.....features./....56ba |
56c20 | 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 65 df 08 48 | 0c342b72ed356f000000......0.e..H |
56c40 | 33 fa e4 3f 00 00 02 73 6d 69 6c 65 73 00 2f 00 00 00 43 4f 63 31 6e 63 28 6e 63 28 6e 31 29 43 | 3..?...smiles./...COc1nc(nc(n1)C |
56c60 | 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 28 3d 4f 29 4f 43 | )NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC |
56c80 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 33 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.3...R....created_at |
56ca0 | 00 ca b5 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | .....R....default_fingerprint_si |
56cc0 | 7a 65 00 18 00 00 00 02 69 6e 63 68 69 00 83 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 34 48 31 | ze......inchi.....InChI=1S/C14H1 |
56ce0 | 35 4e 35 4f 36 53 2f 63 31 2d 38 2d 31 35 2d 31 32 28 31 38 2d 31 34 28 31 36 2d 38 29 32 35 2d | 5N5O6S/c1-8-15-12(18-14(16-8)25- |
56d00 | 33 29 31 37 2d 31 33 28 32 31 29 31 39 2d 32 36 28 32 32 2c 32 33 29 31 30 2d 37 2d 35 2d 34 2d | 3)17-13(21)19-26(22,23)10-7-5-4- |
56d20 | 36 2d 39 28 31 30 29 31 31 28 32 30 29 32 34 2d 32 2f 68 34 2d 37 48 2c 31 2d 33 48 33 2c 28 48 | 6-9(10)11(20)24-2/h4-7H,1-3H3,(H |
56d40 | 32 2c 31 35 2c 31 36 2c 31 37 2c 31 38 2c 31 39 2c 32 31 29 00 00 2c 05 00 00 07 5f 69 64 00 56 | 2,15,16,17,18,19,21)..,...._id.V |
56d60 | ba 0c 36 2b 72 ed 35 6f 00 01 71 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..6+r.5o..q.warnings.......finge |
56d80 | 72 70 72 69 6e 74 73 00 e6 02 00 00 04 4d 50 32 44 00 db 02 00 00 02 30 00 0f 00 00 00 37 3b 31 | rprints......MP2D......0.....7;1 |
56da0 | 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 37 | -1-4;2-1-1;..1.....4;1-1-1;1-1-7 |
56dc0 | 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 31 | ;2-1-3;2-1-8;..2.'...1;1-1-3;1-1 |
56de0 | 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 21 | -4;1-1-8;2-1-2;2-2-3;2-1-7;..3.! |
56e00 | 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 31 | ...3;1-1-1;1-2-3;2-2-3;2-1-4;2-1 |
56e20 | 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 00 | -8;..4.....3;1-2-3;2-1-1;2-2-3;. |
56e40 | 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 |
56e60 | 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 33 | -2-3;2-2-3;2-1-8;..7.....3;1-2-3 |
56e80 | 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 31 | ;1-1-8;2-3-3;..8.....3;1-2-3;2-1 |
56ea0 | 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 32 | -1;2-2-3;2-1-8;..9.....8;1-2-3;2 |
56ec0 | 2d 34 2d 33 3b 00 02 31 30 00 27 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d | -4-3;..10.'...8;1-1-1;1-1-2;2-1- |
56ee0 | 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 34 3b 32 2d 31 2d 39 3b 00 02 31 31 00 1b 00 00 00 32 3b 31 | 1;2-1-3;2-1-4;2-1-9;..11.....2;1 |
56f00 | 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 00 00 | -1-1;1-1-8;1-1-9;2-3-1;..12..... |
56f20 | 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 3b 31 | 9;1-1-2;2-1-1;2-1-8;..13.'...1;1 |
56f40 | 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 |
56f60 | 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 31 3b | -9;..14.....1;1-2-1;1-1-2;2-4-1; |
56f80 | 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 2d 32 | 2-2-2;..15.....1;1-4-1;2-2-1;2-2 |
56fa0 | 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 00 1c | -2;..16.....1;1-1-1;2-3-1;..17.. |
56fc0 | 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 31 35 3b 00 02 | ...2;1-1-1;1-1-2;2-3-1;2-1-15;.. |
56fe0 | 31 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 31 2d | 18.#...2;1-1-1;1-1-2;1-1-15;2-1- |
57000 | 31 3b 32 2d 33 2d 31 36 3b 00 02 31 39 00 1d 00 00 00 31 3b 31 2d 31 2d 32 3b 31 2d 33 2d 31 36 | 1;2-3-16;..19.....1;1-1-2;1-3-16 |
57020 | 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 02 32 30 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b | ;2-1-2;2-1-15;..20.....16;1-1-1; |
57040 | 32 2d 31 2d 32 3b 32 2d 32 2d 31 36 3b 00 02 32 31 00 16 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 | 2-1-2;2-2-16;..21.....15;1-1-2;2 |
57060 | 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 | -1-1;2-1-2;....dataset_ids...... |
57080 | 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 | 0.V..4+r.5o....1.V..:+r.5o....2. |
570a0 | 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba | V..;+r.5o....3.V..<+r.5o....4.V. |
570c0 | 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f | .=+r.5o....5.V..>+r.5o....6.V..? |
570e0 | 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 00 56 ba 0c 41 2b 72 | +r.5o....7.V..@+r.5o....8.V..A+r |
57100 | ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed | .5o....9.V..B+r.5o....10.V..C+r. |
57120 | 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 | 5o.....features./....56ba0c342b7 |
57140 | 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 2e d3 10 68 34 74 9c 3f 00 00 02 | 2ed356f000000......0....h4t.?... |
57160 | 73 6d 69 6c 65 73 00 3a 00 00 00 4e 23 43 43 28 63 31 63 63 63 63 28 63 31 29 4f 63 31 63 63 63 | smiles.:...N#CC(c1cccc(c1)Oc1ccc |
57180 | 63 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 28 46 29 28 46 29 | cc1)OC(=O)C1C(C1(C)C)C=C(C(F)(F) |
571a0 | 46 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 df e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 | F)Cl..updated_at.....R....create |
571c0 | 64 5f 61 74 00 d4 b5 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e | d_at.....R....default_fingerprin |
571e0 | 74 5f 73 69 7a 65 00 16 00 00 00 02 69 6e 63 68 69 00 8b 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 | t_size......inchi.....InChI=1S/C |
57200 | 32 33 48 31 39 43 6c 46 33 4e 4f 33 2f 63 31 2d 32 32 28 32 29 31 37 28 31 32 2d 31 39 28 32 34 | 23H19ClF3NO3/c1-22(2)17(12-19(24 |
57220 | 29 32 33 28 32 35 2c 32 36 29 32 37 29 32 30 28 32 32 29 32 31 28 32 39 29 33 31 2d 31 38 28 31 | )23(25,26)27)20(22)21(29)31-18(1 |
57240 | 33 2d 32 38 29 31 34 2d 37 2d 36 2d 31 30 2d 31 36 28 31 31 2d 31 34 29 33 30 2d 31 35 2d 38 2d | 3-28)14-7-6-10-16(11-14)30-15-8- |
57260 | 34 2d 33 2d 35 2d 39 2d 31 35 2f 68 33 2d 31 32 2c 31 37 2d 31 38 2c 32 30 48 2c 31 2d 32 48 33 | 4-3-5-9-15/h3-12,17-18,20H,1-2H3 |
57280 | 00 00 08 02 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 72 04 77 61 72 6e 69 6e 67 73 | ......._id.V..6+r.5o..r.warnings |
572a0 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 5f 00 00 00 04 4d 50 32 44 00 54 00 | .......fingerprints._....MP2D.T. |
572c0 | 00 00 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 | ...0.....15;1-1-1;2-2-14;..1.... |
572e0 | 00 31 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 | .1;1-2-14;1-1-15;..2.....14;1-1- |
57300 | 31 3b 32 2d 31 2d 31 34 3b 32 2d 31 2d 31 35 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 | 1;2-1-14;2-1-15;....dataset_ids. |
57320 | ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 | .....0.V..4+r.5o....1.V..:+r.5o. |
57340 | 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 | ...2.V..;+r.5o....3.V..<+r.5o... |
57360 | 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 | .4.V..=+r.5o....5.V..>+r.5o....6 |
57380 | 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 00 56 | .V..?+r.5o....7.V..@+r.5o....8.V |
573a0 | ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba | ..A+r.5o....9.V..B+r.5o....10.V. |
573c0 | 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 | .C+r.5o.....features./....56ba0c |
573e0 | 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 6b 12 ce 68 d1 83 | 342b72ed356f000000......0.k..h.. |
57400 | c1 3f 00 00 02 73 6d 69 6c 65 73 00 0a 00 00 00 43 6c 43 28 42 72 29 42 72 00 09 75 70 64 61 74 | .?...smiles.....ClC(Br)Br..updat |
57420 | 65 64 5f 61 74 00 05 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 da b5 bf c6 52 01 | ed_at.....R....created_at.....R. |
57440 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 03 00 00 00 | ...default_fingerprint_size..... |
57460 | 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 6c 2f 63 32 2d 31 | .inchi.....InChI=1S/CHBr2Cl/c2-1 |
57480 | 28 33 29 34 2f 68 31 48 00 00 06 02 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 73 04 | (3)4/h1H......._id.V..6+r.5o..s. |
574a0 | 77 61 72 6e 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 00 00 00 | warnings.......fingerprints.\... |
574c0 | 04 4d 50 32 44 00 51 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 | .MP2D.Q....0.....15;1-1-2;2-1-2; |
574e0 | 32 2d 31 2d 31 35 3b 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 | 2-1-15;..1.....2;1-1-2;1-2-15;.. |
57500 | 32 00 10 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 35 3b 00 00 00 04 64 61 74 61 73 65 74 | 2.....2;1-1-2;2-2-15;....dataset |
57520 | 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b | _ids......0.V..4+r.5o....1.V..9+ |
57540 | 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed | r.5o....2.V..;+r.5o....3.V..<+r. |
57560 | 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f | 5o....4.V..=+r.5o....5.V..>+r.5o |
57580 | 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 | ....6.V..?+r.5o....7.V..@+r.5o.. |
575a0 | ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 | ..8.V..A+r.5o....9.V..B+r.5o.... |
575c0 | 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 | 10.V..C+r.5o.....features./....5 |
575e0 | 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 e5 | 6ba0c342b72ed356f000000......0.. |
57600 | b7 25 4e 2b 7c c2 3f 00 00 02 73 6d 69 6c 65 73 00 0a 00 00 00 43 6c 43 28 3d 43 29 43 6c 00 09 | .%N+|.?...smiles.....ClC(=C)Cl.. |
57620 | 75 70 64 61 74 65 64 5f 61 74 00 37 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e0 | updated_at.7...R....created_at.. |
57640 | b5 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | ...R....default_fingerprint_size |
57660 | 00 03 00 00 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 | ......inchi.....InChI=1S/C2H2Cl2 |
57680 | 2f 63 31 2d 32 28 33 29 34 2f 68 31 48 32 00 00 45 02 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed | /c1-2(3)4/h1H2..E...._id.V..6+r. |
576a0 | 35 6f 00 01 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 | 5o..t.warnings.......fingerprint |
576c0 | 73 00 95 00 00 00 04 4d 50 32 44 00 8a 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; |
576e0 | 32 2d 31 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 | 2-1-2;..1.....1;1-1-2;1-1-15;2-1 |
57700 | 2d 32 3b 00 02 32 00 16 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 35 3b | -2;..2.....2;1-1-1;1-1-2;2-2-15; |
57720 | 00 02 33 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 3b 00 02 34 | ..3.....2;1-1-2;1-1-15;2-1-1;..4 |
57740 | 00 10 00 00 00 31 35 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f | .....15;1-1-2;2-1-2;....dataset_ |
57760 | 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 | ids......0.V..4+r.5o....1.V..:+r |
57780 | ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 | .5o....2.V..;+r.5o....3.V..<+r.5 |
577a0 | 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 | o....4.V..<+r.5o....5.V..>+r.5o. |
577c0 | 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce | ...6.V..?+r.5o....7.V..@+r.5o... |
577e0 | 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 | .8.V..A+r.5o....9.V..B+r.5o....1 |
57800 | 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 | 0.V..C+r.5o.....features./....56 |
57820 | 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 33 f1 | ba0c342b72ed356f000000......0.3. |
57840 | 9f d9 dc 87 a7 3f 00 00 02 73 6d 69 6c 65 73 00 09 00 00 00 43 6c 43 43 3d 43 43 6c 00 09 75 70 | .....?...smiles.....ClCC=CCl..up |
57860 | 64 61 74 65 64 5f 61 74 00 21 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e5 b5 bf | dated_at.!...R....created_at.... |
57880 | c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 05 | .R....default_fingerprint_size.. |
578a0 | 00 00 00 02 69 6e 63 68 69 00 26 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 33 48 34 43 6c 32 2f 63 | ....inchi.&...InChI=1S/C3H4Cl2/c |
578c0 | 34 2d 32 2d 31 2d 33 2d 35 2f 68 31 2d 32 48 2c 33 48 32 00 00 c9 02 00 00 07 5f 69 64 00 56 ba | 4-2-1-3-5/h1-2H,3H2......._id.V. |
578e0 | 0c 36 2b 72 ed 35 6f 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 | .6+r.5o..u.warnings.......finger |
57900 | 70 72 69 6e 74 73 00 d4 00 00 00 04 4d 50 32 44 00 c9 00 00 00 02 30 00 15 00 00 00 31 3b 31 2d | prints......MP2D......0.....1;1- |
57920 | 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; |
57940 | 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- |
57960 | 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- |
57980 | 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; |
579a0 | 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- |
579c0 | 33 3b 00 02 36 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 | 3;..6.....8;1-1-3;2-2-3;....data |
579e0 | 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba | set_ids......0.V..4+r.5o....1.V. |
57a00 | 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c | .:+r.5o....2.V..;+r.5o....3.V..< |
57a20 | 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 | +r.5o....4.V..=+r.5o....5.V..>+r |
57a40 | ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 | .5o....6.V..?+r.5o....7.V..@+r.5 |
57a60 | 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 | o....8.V..A+r.5o....9.V..B+r.5o. |
57a80 | 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 | ...10.V..C+r.5o.....features./.. |
57aa0 | 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 | ..56ba0c342b72ed356f000000...... |
57ac0 | 30 00 5b 72 4a 98 f3 08 cc 3f 00 00 02 73 6d 69 6c 65 73 00 1e 00 00 00 43 43 28 63 31 63 63 63 | 0.[rJ....?...smiles.....CC(c1ccc |
57ae0 | 28 63 63 31 29 4f 29 28 63 31 63 63 63 28 63 63 31 29 4f 29 43 00 09 75 70 64 61 74 65 64 5f 61 | (cc1)O)(c1ccc(cc1)O)C..updated_a |
57b00 | 74 00 7c e6 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f0 b5 bf c6 52 01 00 00 10 64 | t.|...R....created_at.....R....d |
57b20 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 07 00 00 00 02 69 6e 63 | efault_fingerprint_size......inc |
57b40 | 68 69 00 56 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 35 48 31 36 4f 32 2f 63 31 2d 31 35 28 32 | hi.V...InChI=1S/C15H16O2/c1-15(2 |
57b60 | 2c 31 31 2d 33 2d 37 2d 31 33 28 31 36 29 38 2d 34 2d 31 31 29 31 32 2d 35 2d 39 2d 31 34 28 31 | ,11-3-7-13(16)8-4-11)12-5-9-14(1 |
57b80 | 37 29 31 30 2d 36 2d 31 32 2f 68 33 2d 31 30 2c 31 36 2d 31 37 48 2c 31 2d 32 48 33 00 00 db 03 | 7)10-6-12/h3-10,16-17H,1-2H3.... |
57ba0 | 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 76 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V..6+r.5o..v.warnings.... |
57bc0 | 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 01 00 00 02 30 | ...fingerprints......MP2D......0 |
57be0 | 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 |
57c00 | 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 3b 32 | -1;2-1-1;..2.....1;1-2-1;2-1-1;2 |
57c20 | 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 2d 31 | -1-8;..3.....1;1-1-1;1-1-8;2-1-1 |
57c40 | 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 2d 31 | ;2-1-2;..4.!...8;1-1-1;1-1-2;2-1 |
57c60 | 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 3b 31 | -1;2-1-3;2-1-9;..5.!...2;1-1-3;1 |
57c80 | 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 00 39 | -1-8;1-1-9;2-1-1;2-2-3;..6.....9 |
57ca0 | 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 2d 31 | ;1-1-2;2-1-3;2-1-8;..7.'...3;1-1 |
57cc0 | 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 39 | -2;1-2-3;2-1-2;2-2-3;2-1-8;2-1-9 |
57ce0 | 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 02 39 | ;..8.....3;1-2-3;2-1-2;2-2-3;..9 |
57d00 | 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 30 00 1b 00 00 00 38 3b 31 2d | .....3;1-2-3;2-2-3;..10.....8;1- |
57d20 | 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 31 00 1b 00 00 00 31 | 1-1;1-1-2;2-2-3;2-1-9;..11.....1 |
57d40 | 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 31 32 00 1b 00 | ;1-1-3;1-1-8;2-1-2;2-2-3;..12... |
57d60 | 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 31 33 | ..3;1-1-1;1-2-3;2-2-3;2-1-8;..13 |
57d80 | 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 04 64 61 74 | .....3;1-2-3;2-1-1;2-2-3;....dat |
57da0 | 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 | aset_ids......0.V..4+r.5o....1.V |
57dc0 | ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c | ..:+r.5o....2.V..;+r.5o....3.V.. |
57de0 | 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b | <+r.5o....4.V..=+r.5o....5.V..>+ |
57e00 | 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 37 00 56 ba 0c 40 2b 72 ed | r.5o....6.V..?+r.5o....7.V..@+r. |
57e20 | 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f | 5o....8.V..A+r.5o....9.V..B+r.5o |
57e40 | 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 | ....10.V..C+r.5o.....features./. |
57e60 | 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 | ...56ba0c342b72ed356f000000..... |
57e80 | 01 30 00 c0 79 7a a8 26 13 f8 3f 00 00 02 73 6d 69 6c 65 73 00 22 00 00 00 43 43 43 43 4f 43 28 | .0..yz.&..?...smiles."...CCCCOC( |
57ea0 | 3d 4f 29 63 31 63 63 63 63 63 31 43 28 3d 4f 29 4f 43 63 31 63 63 63 63 63 31 00 09 75 70 64 61 | =O)c1ccccc1C(=O)OCc1ccccc1..upda |
57ec0 | 74 65 64 5f 61 74 00 9d e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f6 b5 bf c6 52 | ted_at.....R....created_at.....R |
57ee0 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0e 00 00 | ....default_fingerprint_size.... |
57f00 | 00 02 69 6e 63 68 69 00 6c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 39 48 32 30 4f 34 2f 63 31 | ..inchi.l...InChI=1S/C19H20O4/c1 |
57f20 | 2d 32 2d 33 2d 31 33 2d 32 32 2d 31 38 28 32 30 29 31 36 2d 31 31 2d 37 2d 38 2d 31 32 2d 31 37 | -2-3-13-22-18(20)16-11-7-8-12-17 |
57f40 | 28 31 36 29 31 39 28 32 31 29 32 33 2d 31 34 2d 31 35 2d 39 2d 35 2d 34 2d 36 2d 31 30 2d 31 35 | (16)19(21)23-14-15-9-5-4-6-10-15 |
57f60 | 2f 68 34 2d 31 32 48 2c 32 2d 33 2c 31 33 2d 31 34 48 32 2c 31 48 33 00 00 ce 02 00 00 07 5f 69 | /h4-12H,2-3,13-14H2,1H3......._i |
57f80 | 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 77 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..6+r.5o..w.warnings.......fi |
57fa0 | 6e 67 65 72 70 72 69 6e 74 73 00 0e 01 00 00 04 4d 50 32 44 00 03 01 00 00 02 30 00 16 00 00 00 | ngerprints......MP2D......0..... |
57fc0 | 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 1c 00 00 00 32 3b 31 | 9;1-1-2;2-1-1;2-1-28;..1.....2;1 |
57fe0 | 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 32 00 22 00 00 00 | -1-1;1-1-9;1-1-28;2-2-1;..2."... |
58000 | 31 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 32 38 | 1;1-1-1;1-1-2;2-1-1;2-1-9;2-1-28 |
58020 | 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 32 3b 00 02 34 | ;..3.....1;1-2-1;2-1-1;2-1-2;..4 |
58040 | 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 35 00 16 00 00 00 31 3b 31 2d 32 | .....1;1-2-1;2-2-1;..5.....1;1-2 |
58060 | 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 36 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b | -1;2-1-1;2-1-28;..6.....1;1-1-1; |
58080 | 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 37 00 1c 00 00 00 32 38 3b 31 2d | 1-1-28;2-1-1;2-1-2;..7.....28;1- |
580a0 | 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 31 2d 39 3b 00 00 00 04 64 61 74 61 73 65 | 1-1;1-1-2;2-2-1;2-1-9;....datase |
580c0 | 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a | t_ids......0.V..4+r.5o....1.V..: |
580e0 | 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 | +r.5o....2.V..;+r.5o....3.V..<+r |
58100 | ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 | .5o....4.V..=+r.5o....5.V..=+r.5 |
58120 | 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 | o....6.V..?+r.5o....7.V..@+r.5o. |
58140 | 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 | ...8.V..A+r.5o....9.V..B+r.5o... |
58160 | 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 | .10.V..C+r.5o.....features./.... |
58180 | 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 | 56ba0c342b72ed356f000000......0. |
581a0 | 69 4e 23 4e a9 ac f1 3f 00 00 02 73 6d 69 6c 65 73 00 0c 00 00 00 4f 3d 43 31 43 43 43 43 43 4e | iN#N...?...smiles.....O=C1CCCCCN |
581c0 | 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 7c e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 | 1..updated_at.|...R....created_a |
581e0 | 74 00 03 b6 bf c6 52 01 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....default_fingerprint_s |
58200 | 69 7a 65 00 08 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 31 | ize......inchi.3...InChI=1S/C6H1 |
58220 | 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 28 48 | 1NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H |
58240 | 2c 37 2c 38 29 00 00 2a 02 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 78 04 77 61 72 | ,7,8)..*...._id.V..6+r.5o..x.war |
58260 | 6e 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 00 00 00 04 4d 50 | nings.......fingerprints.w....MP |
58280 | 32 44 00 6c 00 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.l....0.....15;1-1-3;2-2-3;..1 |
582a0 | 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... |
582c0 | 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 0f 00 00 00 33 | ..3;1-2-3;2-2-3;2-1-15;..3.....3 |
582e0 | 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 | ;1-2-3;2-2-3;....dataset_ids.... |
58300 | 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 | ..0.V..4+r.5o....1.V..:+r.5o.... |
58320 | 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 | 2.V..;+r.5o....3.V..<+r.5o....4. |
58340 | 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba | V..=+r.5o....5.V..>+r.5o....6.V. |
58360 | 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 00 56 ba 0c 41 | .?+r.5o....7.V..@+r.5o....8.V..A |
58380 | 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b | +r.5o....9.V..B+r.5o....10.V..C+ |
583a0 | 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 | r.5o.....features./....56ba0c342 |
583c0 | 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 b9 8f 57 a6 db 0e f1 3f 00 | b72ed356f000000......0...W....?. |
583e0 | 00 02 73 6d 69 6c 65 73 00 0b 00 00 00 43 6c 63 31 63 63 63 63 63 31 00 09 75 70 64 61 74 65 64 | ..smiles.....Clc1ccccc1..updated |
58400 | 5f 61 74 00 cd e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 09 b6 bf c6 52 01 00 00 | _at.....R....created_at.....R... |
58420 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 04 00 00 00 02 69 | .default_fingerprint_size......i |
58440 | 6e 63 68 69 00 27 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 35 43 6c 2f 63 37 2d 36 2d 34 2d | nchi.'...InChI=1S/C6H5Cl/c7-6-4- |
58460 | 32 2d 31 2d 33 2d 35 2d 36 2f 68 31 2d 35 48 00 00 e0 01 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 | 2-1-3-5-6/h1-5H......._id.V..6+r |
58480 | ed 35 6f 00 01 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 | .5o..y.warnings.......fingerprin |
584a0 | 74 73 00 39 00 00 00 04 4d 50 32 44 00 2e 00 00 00 02 30 00 11 00 00 00 31 35 3b 31 2d 31 2d 31 | ts.9....MP2D......0.....15;1-1-1 |
584c0 | 3b 32 2d 32 2d 31 35 3b 00 02 31 00 0a 00 00 00 31 3b 31 2d 33 2d 31 35 3b 00 00 00 04 64 61 74 | ;2-2-15;..1.....1;1-3-15;....dat |
584e0 | 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 | aset_ids......0.V..4+r.5o....1.V |
58500 | ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c | ..9+r.5o....2.V..;+r.5o....3.V.. |
58520 | 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b | <+r.5o....4.V..=+r.5o....5.V..>+ |
58540 | 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed | r.5o....6.V..?+r.5o....7.V..@+r. |
58560 | 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f | 5o....8.V..A+r.5o....9.V..B+r.5o |
58580 | 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 | ....10.V..C+r.5o.....features./. |
585a0 | 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 | ...56ba0c342b72ed356f000000..... |
585c0 | 01 30 00 16 81 c9 9d 5a 15 e0 3f 00 00 02 73 6d 69 6c 65 73 00 0a 00 00 00 43 6c 43 28 43 6c 29 | .0.....Z..?...smiles.....ClC(Cl) |
585e0 | 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 65 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f | Cl..updated_at.e...R....created_ |
58600 | 61 74 00 0f b6 bf c6 52 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.....R....default_fingerprint_ |
58620 | 73 69 7a 65 00 02 00 00 00 02 69 6e 63 68 69 00 1c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 48 43 | size......inchi.....InChI=1S/CHC |
58640 | 6c 33 2f 63 32 2d 31 28 33 29 34 2f 68 31 48 00 00 f2 02 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 | l3/c2-1(3)4/h1H......._id.V..6+r |
58660 | ed 35 6f 00 01 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 6e | .5o..z.warnings.......fingerprin |
58680 | 74 73 00 24 01 00 00 04 4d 50 32 44 00 19 01 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b | ts.$....MP2D......0.....1;1-1-2; |
586a0 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 00 1b 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d | 2-1-1;2-1-2;..1.....2;1-2-1;1-1- |
586c0 | 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 32 2d 32 3b 32 2d | 2;2-1-1;2-1-2;..2.....2;1-2-2;2- |
586e0 | 33 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 32 3b | 3-1;2-1-9;..3.!...2;1-1-1;1-1-2; |
58700 | 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 34 00 15 00 00 00 39 3b 31 2d 31 2d | 1-1-9;2-1-1;2-1-2;..4.....9;1-1- |
58720 | 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 35 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | 2;2-1-1;2-1-2;..5.!...1;1-1-1;1- |
58740 | 31 2d 32 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b 00 02 36 00 0f 00 00 00 31 3b | 1-2;2-3-1;2-1-2;2-1-9;..6.....1; |
58760 | 31 2d 34 2d 31 3b 32 2d 32 2d 32 3b 00 02 37 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | 1-4-1;2-2-2;..7.....1;1-1-1;1-1- |
58780 | 32 3b 32 2d 34 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 | 2;2-4-1;2-1-2;..8.....1;1-1-1;2- |
587a0 | 33 2d 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b | 3-1;....dataset_ids......0.V..4+ |
587c0 | 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed | r.5o....1.V..:+r.5o....2.V..;+r. |
587e0 | 35 6f 00 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f | 5o....3.V..;+r.5o....4.V..=+r.5o |
58800 | 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 | ....5.V..>+r.5o....6.V..?+r.5o.. |
58820 | cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 | ..7.V..@+r.5o....8.V..A+r.5o.... |
58840 | 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 | 9.V..B+r.5o....10.V..C+r.5o..... |
58860 | 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 | features./....56ba0c342b72ed356f |
58880 | 30 30 30 30 30 30 00 10 00 00 00 01 30 00 7f b3 69 b7 f9 b8 f4 3f 00 00 02 73 6d 69 6c 65 73 00 | 000000......0...i....?...smiles. |
588a0 | 15 00 00 00 43 43 31 3d 43 43 28 3d 4f 29 43 43 28 43 31 29 28 43 29 43 00 09 75 70 64 61 74 65 | ....CC1=CC(=O)CC(C1)(C)C..update |
588c0 | 64 5f 61 74 00 ff e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 1f b6 bf c6 52 01 00 | d_at.....R....created_at.....R.. |
588e0 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 09 00 00 00 02 | ..default_fingerprint_size...... |
58900 | 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 2f 63 31 2d 37 2d 34 | inchi.8...InChI=1S/C9H14O/c1-7-4 |
58920 | 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 48 32 2c 31 2d 33 48 | -8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H |
58940 | 33 00 00 07 02 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 7b 04 77 61 72 6e 69 6e 67 | 3......._id.V..6+r.5o..{.warning |
58960 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 5f 00 00 00 04 4d 50 32 44 00 54 | s.......fingerprints._....MP2D.T |
58980 | 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 00 02 31 00 11 00 | ....0.....16;1-1-1;2-3-15;..1... |
589a0 | 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 31 35 3b 31 2d 31 | ..1;1-3-15;1-1-16;..2.....15;1-1 |
589c0 | 2d 31 3b 32 2d 32 2d 31 35 3b 32 2d 31 2d 31 36 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 | -1;2-2-15;2-1-16;....dataset_ids |
589e0 | 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f | ......0.V..4+r.5o....1.V..:+r.5o |
58a00 | 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 | ....2.V..;+r.5o....3.V..<+r.5o.. |
58a20 | c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 | ..4.V..=+r.5o....5.V..>+r.5o.... |
58a40 | 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 | 6.V..?+r.5o....7.V..@+r.5o....8. |
58a60 | 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 | V..A+r.5o....9.V..B+r.5o....10.V |
58a80 | ba 0c 43 2b 72 ed 35 6f 00 01 d3 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 | ..C+r.5o.....features./....56ba0 |
58aa0 | 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 3c ab 26 09 30 | c342b72ed356f000000......0.<.&.0 |
58ac0 | 53 04 40 00 00 02 73 6d 69 6c 65 73 00 0d 00 00 00 46 43 28 43 6c 29 28 43 6c 29 43 6c 00 09 75 | S.@...smiles.....FC(Cl)(Cl)Cl..u |
58ae0 | 70 64 61 74 65 64 5f 61 74 00 6b e6 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 25 b6 | pdated_at.k...R....created_at.%. |
58b00 | bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | ..R....default_fingerprint_size. |
58b20 | 03 00 00 00 02 69 6e 63 68 69 00 1a 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 43 6c 33 46 2f 63 32 | .....inchi.....InChI=1S/CCl3F/c2 |
58b40 | 2d 31 28 33 2c 34 29 35 00 00 c8 05 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 7c 04 | -1(3,4)5......._id.V..6+r.5o..|. |
58b60 | 77 61 72 6e 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 03 00 00 | warnings.......fingerprints..... |
58b80 | 04 4d 50 32 44 00 82 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 | .MP2D......0.....1;1-1-1;2-1-8;. |
58ba0 | 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 21 | .1.....1;1-1-1;1-1-8;2-1-2;..2.! |
58bc0 | 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 2d 31 | ...8;1-1-1;1-1-2;2-1-1;2-1-3;2-1 |
58be0 | 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 2d 31 2d 39 3b 32 | -9;..3.!...2;1-1-3;1-1-8;1-1-9;2 |
58c00 | 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 3b 32 2d 31 2d 33 | -1-1;2-2-3;..4.....9;1-1-2;2-1-3 |
58c20 | 3b 32 2d 31 2d 38 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 32 | ;2-1-8;..5.(...3;1-1-2;1-2-3;2-2 |
58c40 | 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 33 30 3b 00 02 36 00 15 00 00 00 33 3b | -3;2-1-8;2-1-9;2-1-30;..6.....3; |
58c60 | 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 3b 31 2d 32 2d | 1-2-3;2-1-2;2-2-3;..7.....3;1-2- |
58c80 | 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 3b 32 2d | 3;2-2-3;..8.....3;1-2-3;2-2-3;2- |
58ca0 | 31 2d 33 30 3b 00 02 39 00 29 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 33 30 3b 32 2d 31 2d | 1-30;..9.)...3;1-2-3;1-1-30;2-1- |
58cc0 | 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 00 23 00 00 00 33 30 | 2;2-2-3;2-2-9;2-1-28;..10.#...30 |
58ce0 | 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; |
58d00 | 00 02 31 31 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 | ..11.....9;1-1-30;2-1-3;2-1-9;2- |
58d20 | 31 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 32 2d | 1-28;..12.$...28;1-1-2;1-1-30;2- |
58d40 | 31 2d 33 3b 32 2d 33 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 1d 00 00 00 32 3b 31 2d 31 2d | 1-3;2-3-9;2-1-28;..13.....2;1-1- |
58d60 | 39 3b 31 2d 32 2d 32 38 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 30 3b 00 02 31 34 00 10 00 00 00 39 | 9;1-2-28;2-1-3;2-1-30;..14.....9 |
58d80 | 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 31 35 00 24 00 00 00 32 38 3b 31 2d 31 2d 32 3b | ;1-1-2;2-2-28;..15.$...28;1-1-2; |
58da0 | 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 36 00 1d | 1-1-3;2-1-9;2-2-11;2-1-28;..16.. |
58dc0 | 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 33 3b 00 | ...3;1-2-11;1-1-28;2-1-2;2-2-3;. |
58de0 | 02 31 37 00 25 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 | .17.%...11;1-2-3;2-1-3;2-1-11;2- |
58e00 | 31 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 02 31 38 00 1d 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 | 1-15;2-1-28;..18.....3;1-1-3;1-1 |
58e20 | 2d 31 31 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 31 39 00 17 00 00 00 31 35 3b 31 2d 31 | -11;1-1-15;2-2-3;..19.....15;1-1 |
58e40 | 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 30 00 1d 00 00 00 33 3b 31 2d 32 2d 33 | -3;2-1-3;2-1-11;..20.....3;1-2-3 |
58e60 | 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 31 3b 32 2d 31 2d 31 35 3b 00 02 32 31 00 22 00 00 00 33 3b | ;2-1-8;2-2-11;2-1-15;..21."...3; |
58e80 | 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 33 3b 00 | 1-1-3;1-1-8;1-1-11;2-1-1;2-2-3;. |
58ea0 | 02 32 32 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 | .22.$...11;1-2-3;2-1-3;2-1-8;2-1 |
58ec0 | 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 32 33 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -11;2-1-28;..23.....8;1-1-1;1-1- |
58ee0 | 33 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 32 34 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b | 3;2-1-3;2-1-11;..24.....1;1-1-8; |
58f00 | 32 2d 31 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c | 2-1-3;....dataset_ids......0.V.. |
58f20 | 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b | 4+r.5o....1.V..:+r.5o....2.V..;+ |
58f40 | 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3d 2b 72 ed | r.5o....3.V..;+r.5o....4.V..=+r. |
58f60 | 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f | 5o....5.V..>+r.5o....6.V..?+r.5o |
58f80 | 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 | ....7.V..@+r.5o....8.V..A+r.5o.. |
58fa0 | d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 | ..9.V..B+r.5o....10.V..C+r.5o... |
58fc0 | 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 | ..features./....56ba0c342b72ed35 |
58fe0 | 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 53 ff d5 55 12 49 d3 3f 00 00 02 73 6d 69 6c 65 | 6f000000......0.S..U.I.?...smile |
59000 | 73 00 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 | s.1...CCOC(=O)c1ccccc1S(=O)(=O)N |
59020 | 43 28 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 | C(=O)Nc1nc(Cl)cc(n1)OC..updated_ |
59040 | 61 74 00 0a e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 33 b6 bf c6 52 01 00 00 10 | at.....R....created_at.3...R.... |
59060 | 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 19 00 00 00 02 69 6e | default_fingerprint_size......in |
59080 | 63 68 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 | chi.....InChI=1S/C15H15ClN4O6S/c |
590a0 | 31 2d 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 | 1-3-26-13(21)9-6-4-5-7-10(9)27(2 |
590c0 | 33 2c 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 | 3,24)20-15(22)19-14-17-11(16)8-1 |
590e0 | 32 28 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 | 2(18-14)25-2/h4-8H,3H2,1-2H3,(H2 |
59100 | 2c 31 37 2c 31 38 2c 31 39 2c 32 30 2c 32 32 29 00 00 cb 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b | ,17,18,19,20,22)......._id.V..6+ |
59120 | 72 ed 35 6f 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.5o..}.warnings.......fingerpri |
59140 | 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 31 2d 31 2d 38 | nts......MP2D......0.....1;1-1-8 |
59160 | 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 |
59180 | 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 |
591a0 | 2d 31 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 | -1-9;2-2-1;2-1-8;..3.....9;1-1-2 |
591c0 | 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 31 2d 31 3b 31 2d 31 | ;2-1-1;2-1-8;..4.'...1;1-1-1;1-1 |
591e0 | 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.! |
59200 | 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 |
59220 | 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 |
59240 | 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 |
59260 | 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 00 02 39 | ;..8.....3;1-2-3;1-1-8;2-3-3;..9 |
59280 | 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 31 30 00 23 | .....8;1-2-3;2-3-3;2-1-11;..10.# |
592a0 | 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 33 3b 32 2d | ...3;1-1-3;1-1-8;1-1-11;2-3-3;2- |
592c0 | 31 2d 31 35 3b 00 02 31 31 00 16 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 | 1-15;..11.....11;1-2-3;2-2-3;2-1 |
592e0 | 2d 38 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 32 2d 31 2d 31 | -8;..12.....3;1-1-3;1-1-11;2-1-1 |
59300 | 3b 32 2d 32 2d 33 3b 00 02 31 33 00 23 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- |
59320 | 31 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 33 2d 31 36 3b 00 02 31 34 00 1c 00 00 00 33 3b 31 2d 32 | 1-3;2-1-11;2-3-16;..14.....3;1-2 |
59340 | 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 23 00 00 00 33 | -3;2-1-1;2-2-3;2-1-15;..15.#...3 |
59360 | 3b 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 | ;1-2-3;1-1-15;2-1-3;2-1-8;2-1-11 |
59380 | 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... |
593a0 | 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 38 00 17 00 00 00 | ..1;1-1-3;1-3-16;2-2-3;..18..... |
593c0 | 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 15 00 00 00 31 | 16;1-1-1;2-1-3;2-2-16;..19.....1 |
593e0 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 | ;1-1-1;2-1-2;2-1-8;....dataset_i |
59400 | 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed | ds......0.V..4+r.5o....1.V..9+r. |
59420 | 35 6f 00 01 c1 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f | 5o....2.V..;+r.5o....3.V..<+r.5o |
59440 | 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 | ....4.V..=+r.5o....5.V..>+r.5o.. |
59460 | ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 | ..6.V..?+r.5o....7.V..@+r.5o.... |
59480 | 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 | 8.V..A+r.5o....9.V..B+r.5o....10 |
594a0 | 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 | .V..C+r.5o.....features./....56b |
594c0 | 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 9f 6d 0a | a0c342b72ed356f000000......0..m. |
594e0 | e6 95 cd 65 3f 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 31 63 | ...e?...smiles.,...COC(=O)C(Oc1c |
59500 | 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.. |
59520 | 75 70 64 61 74 65 64 5f 61 74 00 66 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 44 | updated_at.f...R....created_at.D |
59540 | b6 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | ...R....default_fingerprint_size |
59560 | 00 14 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 33 43 | ......inchi.l...InChI=1S/C16H13C |
59580 | 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 2d 35 | lF3NO4/c1-9(15(22)23-2)24-11-3-5 |
595a0 | 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 32 31 | -12(6-4-11)25-14-13(17)7-10(8-21 |
595c0 | 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 cb 01 00 | -14)16(18,19)20/h3-9H,1-2H3..... |
595e0 | 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 7e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 | .._id.V..6+r.5o..~.warnings..... |
59600 | 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 30 00 | ..fingerprints.0....MP2D.%....0. |
59620 | 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 00 04 | ....4;1-1-7;..1.....7;1-1-4;.... |
59640 | 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 | dataset_ids......0.V..4+r.5o.... |
59660 | 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 | 1.V..:+r.5o....2.V..;+r.5o....3. |
59680 | 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba | V..<+r.5o....4.V..=+r.5o....5.V. |
596a0 | 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 | .>+r.5o....6.V..?+r.5o....7.V..@ |
596c0 | 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 39 00 56 ba 0c 42 2b 72 | +r.5o....8.V..A+r.5o....9.V..B+r |
596e0 | ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 | .5o....10.V..C+r.5o.....features |
59700 | 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 | ./....56ba0c342b72ed356f000000.. |
59720 | 00 00 00 01 30 00 b7 1b 11 c0 67 5a f2 3f 00 00 02 73 6d 69 6c 65 73 00 04 00 00 00 43 23 4e 00 | ....0.....gZ.?...smiles.....C#N. |
59740 | 09 75 70 64 61 74 65 64 5f 61 74 00 3f ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at.?...R....created_at. |
59760 | 4a b6 bf c6 52 01 00 00 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...R....default_fingerprint_siz |
59780 | 65 00 02 00 00 00 02 69 6e 63 68 69 00 16 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 48 4e 2f 63 31 | e......inchi.....InChI=1S/CHN/c1 |
597a0 | 2d 32 2f 68 31 48 00 00 e8 05 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 7f 04 77 61 | -2/h1H......._id.V..6+r.5o....wa |
597c0 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ab 03 00 00 04 4d | rnings.......fingerprints......M |
597e0 | 50 32 44 00 a0 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 | P2D......0.....1;1-1-1;2-1-8;..1 |
59800 | 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 00 00 | .....1;1-1-1;1-1-8;2-1-2;..2.... |
59820 | 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 00 21 | .8;1-1-1;1-1-2;2-2-1;2-1-9;..3.! |
59840 | 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 2d 31 | ...2;1-1-1;1-1-8;1-1-9;2-2-1;2-1 |
59860 | 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 00 | -8;..4.....9;1-1-2;2-1-1;2-1-8;. |
59880 | 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 31 2d 32 | .5.'...1;1-1-1;1-1-2;1-1-8;2-1-2 |
598a0 | 3b 32 2d 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 | ;2-1-8;2-1-9;..6.'...8;1-1-1;1-1 |
598c0 | 2d 32 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 37 00 21 | -2;2-1-1;2-1-2;2-1-3;2-1-9;..7.! |
598e0 | 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 |
59900 | 2d 33 3b 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 | -3;..8.....9;1-1-2;2-1-3;2-1-8;. |
59920 | 02 39 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 | .9.(...3;1-1-2;1-2-3;2-2-3;2-1-8 |
59940 | 3b 32 2d 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 | ;2-1-9;2-1-19;..10.....3;1-2-3;2 |
59960 | 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 00 33 3b 31 2d 32 2d | -1-2;2-2-3;2-1-8;..11.....3;1-2- |
59980 | 33 3b 31 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 | 3;1-1-8;2-3-3;..12.....3;1-2-3;2 |
599a0 | 2d 32 2d 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 | -2-3;2-1-8;..13.....3;1-2-3;2-2- |
599c0 | 33 3b 32 2d 31 2d 31 39 3b 00 02 31 34 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 | 3;2-1-19;..14."...3;1-2-3;1-1-19 |
599e0 | 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 35 00 16 00 00 00 31 39 3b 31 | ;2-1-2;2-2-3;2-2-9;..15.....19;1 |
59a00 | 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 00 39 3b 31 2d 31 2d | -1-3;1-2-9;2-2-3;..16.....9;1-1- |
59a20 | 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 37 00 0f 00 00 00 38 3b 31 2d 32 2d 33 3b | 19;2-1-3;2-1-9;..17.....8;1-2-3; |
59a40 | 32 2d 34 2d 33 3b 00 02 31 38 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 | 2-4-3;..18.....3;1-2-3;1-1-8;2-3 |
59a60 | 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 39 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 | -3;2-1-15;..19.....3;1-2-3;2-1-1 |
59a80 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 30 00 1c 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- |
59aa0 | 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 32 31 00 15 00 00 00 33 3b 31 2d 32 2d | 2-3;2-2-3;2-3-16;..21.....3;1-2- |
59ac0 | 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 32 | 3;2-1-1;2-2-3;..22.....3;1-2-3;2 |
59ae0 | 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 32 33 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | -2-3;2-1-15;..23.....3;1-2-3;1-1 |
59b00 | 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 34 00 10 00 00 00 31 35 3b 31 2d 31 2d | -15;2-2-3;2-1-8;..24.....15;1-1- |
59b20 | 33 3b 32 2d 32 2d 33 3b 00 02 32 35 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 3b | 3;2-2-3;..25.....1;1-1-3;1-3-16; |
59b40 | 32 2d 32 2d 33 3b 00 02 32 36 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d | 2-2-3;..26.....16;1-1-1;2-1-3;2- |
59b60 | 32 2d 31 36 3b 00 02 32 37 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d | 2-16;..27.....1;1-1-1;2-1-2;2-1- |
59b80 | 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed | 8;....dataset_ids......0.V..4+r. |
59ba0 | 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f | 5o....1.V..:+r.5o....2.V..:+r.5o |
59bc0 | 00 01 c3 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 | ....3.V..<+r.5o....4.V..=+r.5o.. |
59be0 | c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 | ..5.V..>+r.5o....6.V..?+r.5o.... |
59c00 | 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 | 7.V..@+r.5o....8.V..A+r.5o....9. |
59c20 | 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 | V..B+r.5o....10.V..C+r.5o.....fe |
59c40 | 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 | atures./....56ba0c342b72ed356f00 |
59c60 | 30 30 30 30 00 10 00 00 00 01 30 00 38 1b 21 29 20 b8 bb 3f 00 00 02 73 6d 69 6c 65 73 00 39 00 | 0000......0.8.!)...?...smiles.9. |
59c80 | 00 00 43 43 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 | ..CCOC(=O)C(OC(=O)c1cc(ccc1N(=O) |
59ca0 | 3d 4f 29 4f 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 | =O)Oc1cc(ccc1Cl)C(F)(F)F)C..upda |
59cc0 | 74 65 64 5f 61 74 00 cc e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 50 b6 bf c6 52 | ted_at.....R....created_at.P...R |
59ce0 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 1c 00 00 | ....default_fingerprint_size.... |
59d00 | 00 02 69 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 | ..inchi.....InChI=1S/C19H15ClF3N |
59d20 | 4f 37 2f 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 | O7/c1-3-29-17(25)10(2)30-18(26)1 |
59d40 | 33 2d 39 2d 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 | 3-9-12(5-7-15(13)24(27)28)31-16- |
59d60 | 38 2d 31 31 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 | 8-11(19(21,22)23)4-6-14(16)20/h4 |
59d80 | 2d 31 30 48 2c 33 48 32 2c 31 2d 32 48 33 00 00 9c 02 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed | -10H,3H2,1-2H3......._id.V..6+r. |
59da0 | 35 6f 00 01 80 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | 5o....warnings.......fingerprint |
59dc0 | 73 00 8a 00 00 00 04 4d 50 32 44 00 7f 00 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 | s......MP2D......0.....1;1-1-5;2 |
59de0 | 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 3b 00 02 32 00 15 | -2-1;..1.....5;1-3-1;2-2-1;..2.. |
59e00 | 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 15 00 00 00 31 | ...1;1-1-1;1-1-5;2-3-1;..3.....1 |
59e20 | 3b 31 2d 32 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 | ;1-2-1;2-2-1;2-1-5;..4.....1;1-3 |
59e40 | 2d 31 3b 32 2d 34 2d 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 | -1;2-4-1;....dataset_ids......0. |
59e60 | 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba | V..4+r.5o....1.V..:+r.5o....2.V. |
59e80 | 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d | .;+r.5o....3.V..<+r.5o....4.V..= |
59ea0 | 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 | +r.5o....5.V..>+r.5o....6.V..?+r |
59ec0 | ed 35 6f 00 01 cb 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 38 00 56 ba 0c 40 2b 72 ed 35 | .5o....7.V..?+r.5o....8.V..@+r.5 |
59ee0 | 6f 00 01 ce 07 39 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 30 00 56 ba 0c 42 2b 72 ed 35 6f | o....9.V..A+r.5o....10.V..B+r.5o |
59f00 | 00 01 d2 07 31 31 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f | ....11.V..C+r.5o....12.V..C+r.5o |
59f20 | 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 | .....features.:....56ba0c342b72e |
59f40 | 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 18 04 f9 0c 05 8f 93 3f 01 31 00 a5 b3 | d356f000000......0........?.1... |
59f60 | 29 fd 8b 99 8a 3f 00 00 02 73 6d 69 6c 65 73 00 17 00 00 00 43 6e 31 63 63 63 28 63 63 31 29 63 | )....?...smiles.....Cn1ccc(cc1)c |
59f80 | 31 63 63 6e 28 63 63 31 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 b8 e9 bf c6 52 01 00 00 09 | 1ccn(cc1)C..updated_at.....R.... |
59fa0 | 63 72 65 61 74 65 64 5f 61 74 00 5e b6 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at.^...R....default_fing |
59fc0 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 05 00 00 00 02 69 6e 63 68 69 00 4f 00 00 00 49 6e 43 68 | erprint_size......inchi.O...InCh |
59fe0 | 49 3d 31 53 2f 43 31 32 48 32 34 4e 32 2f 63 31 2d 31 33 2d 37 2d 33 2d 31 31 28 34 2d 38 2d 31 | I=1S/C12H24N2/c1-13-7-3-11(4-8-1 |
5a000 | 33 29 31 32 2d 35 2d 39 2d 31 34 28 32 29 31 30 2d 36 2d 31 32 2f 68 31 31 2d 31 32 48 2c 33 2d | 3)12-5-9-14(2)10-6-12/h11-12H,3- |
5a020 | 31 30 48 32 2c 31 2d 32 48 33 00 00 a8 02 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 | 10H2,1-2H3......._id.V..6+r.5o.. |
5a040 | 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 b7 00 | ..warnings.......fingerprints... |
5a060 | 00 00 04 4d 50 32 44 00 ac 00 00 00 02 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 | ...MP2D......0.....32;1-1-19;2-1 |
5a080 | 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 31 2d 39 3b | -3;2-1-9;..1.....19;1-1-3;1-1-9; |
5a0a0 | 31 2d 31 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 32 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d | 1-1-32;2-2-3;..2.....9;1-1-19;2- |
5a0c0 | 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 02 33 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | 1-3;2-1-32;..3.#...3;1-2-3;1-1-1 |
5a0e0 | 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 33 32 3b 00 02 34 00 16 00 00 00 33 3b 31 | 9;2-2-3;2-1-9;2-1-32;..4.....3;1 |
5a100 | 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 39 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 | -2-3;2-2-3;2-2-19;....dataset_id |
5a120 | 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 | s......0.V..4+r.5o....1.V..:+r.5 |
5a140 | 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 | o....2.V..;+r.5o....3.V..<+r.5o. |
5a160 | 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca | ...4.V..=+r.5o....5.V..>+r.5o... |
5a180 | 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 | .6.V..?+r.5o....7.V..@+r.5o....8 |
5a1a0 | 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 | .V..A+r.5o....9.V..B+r.5o....10. |
5a1c0 | 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 | V..C+r.5o.....features./....56ba |
5a1e0 | 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 1e 68 01 c9 | 0c342b72ed356f000000......0..h.. |
5a200 | 71 fa af 3f 00 00 02 73 6d 69 6c 65 73 00 31 00 00 00 5b 4f 2d 5d 5b 4e 2b 5d 28 3d 4f 29 63 31 | q..?...smiles.1...[O-][N+](=O)c1 |
5a220 | 63 63 28 63 63 28 63 31 29 5b 4e 2b 5d 28 3d 4f 29 5b 4f 2d 5d 29 5b 4e 2b 5d 28 3d 4f 29 5b 4f | cc(cc(c1)[N+](=O)[O-])[N+](=O)[O |
5a240 | 2d 5d 00 09 75 70 64 61 74 65 64 5f 61 74 00 19 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f | -]..updated_at.....R....created_ |
5a260 | 61 74 00 65 b6 bf c6 52 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.e...R....default_fingerprint_ |
5a280 | 73 69 7a 65 00 05 00 00 00 02 69 6e 63 68 69 00 3f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 36 48 | size......inchi.?...InChI=1S/C6H |
5a2a0 | 33 4e 33 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 | 3N3O6/c10-7(11)4-1-5(8(12)13)3-6 |
5a2c0 | 28 32 2d 34 29 39 28 31 34 29 31 35 2f 68 31 2d 33 48 00 00 fb 01 00 00 07 5f 69 64 00 56 ba 0c | (2-4)9(14)15/h1-3H......._id.V.. |
5a2e0 | 36 2b 72 ed 35 6f 00 01 82 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | 6+r.5o....warnings.......fingerp |
5a300 | 72 69 6e 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 | rints.U....MP2D.J....0.....15;1- |
5a320 | 31 2d 32 3b 32 2d 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 | 1-2;2-1-2;..1.....2;1-1-2;1-1-15 |
5a340 | 3b 00 02 32 00 10 00 00 00 32 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 35 3b 00 00 00 04 64 61 74 61 | ;..2.....2;1-1-2;2-1-15;....data |
5a360 | 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba | set_ids......0.V..4+r.5o....1.V. |
5a380 | 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c | .:+r.5o....2.V..;+r.5o....3.V..< |
5a3a0 | 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 | +r.5o....4.V..=+r.5o....5.V..>+r |
5a3c0 | ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 | .5o....6.V..?+r.5o....7.V..@+r.5 |
5a3e0 | 6f 00 01 cd 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 | o....8.V..A+r.5o....9.V..B+r.5o. |
5a400 | 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 | ...10.V..C+r.5o.....features./.. |
5a420 | 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 | ..56ba0c342b72ed356f000000...... |
5a440 | 30 00 b3 8c 65 20 c0 4c 95 3f 00 00 02 73 6d 69 6c 65 73 00 06 00 00 00 43 6c 43 3d 43 00 09 75 | 0...e..L.?...smiles.....ClC=C..u |
5a460 | 70 64 61 74 65 64 5f 61 74 00 ee e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 6a b6 | pdated_at.....R....created_at.j. |
5a480 | bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | ..R....default_fingerprint_size. |
5a4a0 | 03 00 00 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 6c 2f 63 | .....inchi.....InChI=1S/C2H3Cl/c |
5a4c0 | 31 2d 32 2d 33 2f 68 32 48 2c 31 48 32 00 00 4a 02 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 | 1-2-3/h2H,1H2..J...._id.V..6+r.5 |
5a4e0 | 6f 00 01 83 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 | o....warnings.......fingerprints |
5a500 | 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 32 3b 32 2d | ......MP2D......0.....9;1-1-2;2- |
5a520 | 32 2d 31 3b 00 02 31 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 | 2-1;..1.....2;1-2-1;1-1-9;2-2-1; |
5a540 | 00 02 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 31 2d | ..2.....1;1-1-1;1-1-2;2-2-1;2-1- |
5a560 | 39 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 32 3b 00 02 | 9;..3.....1;1-2-1;2-1-1;2-1-2;.. |
5a580 | 34 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f | 4.....1;1-2-1;2-2-1;....dataset_ |
5a5a0 | 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 | ids......0.V..4+r.5o....1.V..:+r |
5a5c0 | ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 | .5o....2.V..;+r.5o....3.V..<+r.5 |
5a5e0 | 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 | o....4.V..=+r.5o....5.V..>+r.5o. |
5a600 | 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce | ...6.V..?+r.5o....7.V..@+r.5o... |
5a620 | 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 | .8.V..A+r.5o....9.V..B+r.5o....1 |
5a640 | 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 | 0.V..C+r.5o.....features./....56 |
5a660 | 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 04 d1 | ba0c342b72ed356f000000......0... |
5a680 | 23 c3 5b 8b 22 40 00 00 02 73 6d 69 6c 65 73 00 0b 00 00 00 4f 3d 43 31 43 43 43 43 43 31 00 09 | #.[."@...smiles.....O=C1CCCCC1.. |
5a6a0 | 75 70 64 61 74 65 64 5f 61 74 00 94 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 70 | updated_at.....R....created_at.p |
5a6c0 | b6 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | ...R....default_fingerprint_size |
5a6e0 | 00 05 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 4f 2f | ......inchi.(...InChI=1S/C6H10O/ |
5a700 | 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 a2 02 00 00 07 5f 69 | c7-6-4-2-1-3-5-6/h1-5H2......._i |
5a720 | 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 84 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..6+r.5o....warnings.......fi |
5a740 | 6e 67 65 72 70 72 69 6e 74 73 00 d2 00 00 00 04 4d 50 32 44 00 c7 00 00 00 02 30 00 16 00 00 00 | ngerprints......MP2D......0..... |
5a760 | 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 3b 31 | 9;1-1-3;2-1-3;2-1-11;..1.*...3;1 |
5a780 | 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 3b 32 | -1-3;1-1-9;1-1-11;2-1-3;2-1-11;2 |
5a7a0 | 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 31 2d | -1-13;..2.....3;1-2-3;2-1-3;2-1- |
5a7c0 | 39 3b 32 2d 31 2d 31 31 3b 00 02 33 00 2b 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 | 9;2-1-11;..3.+...11;1-1-3;1-1-11 |
5a7e0 | 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 02 34 00 18 | ;1-1-13;2-2-3;2-1-9;2-1-13;..4.. |
5a800 | 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 00 04 64 61 | ...13;1-1-11;2-1-3;2-1-11;....da |
5a820 | 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 | taset_ids......0.V..4+r.5o....1. |
5a840 | 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba | V..:+r.5o....2.V..;+r.5o....3.V. |
5a860 | 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e | .<+r.5o....4.V..=+r.5o....5.V..> |
5a880 | 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 | +r.5o....6.V..?+r.5o....7.V..@+r |
5a8a0 | ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 39 00 56 ba 0c 42 2b 72 ed 35 | .5o....8.V..A+r.5o....9.V..B+r.5 |
5a8c0 | 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f | o....10.V..C+r.5o.....features./ |
5a8e0 | 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 | ....56ba0c342b72ed356f000000.... |
5a900 | 00 01 30 00 3a a1 ce dc e3 d7 11 40 00 00 02 73 6d 69 6c 65 73 00 15 00 00 00 4f 3d 63 31 63 63 | ..0.:......@...smiles.....O=c1cc |
5a920 | 63 28 3d 4f 29 5b 6e 48 5d 5b 6e 48 5d 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 39 ea bf c6 52 | c(=O)[nH][nH]1..updated_at.9...R |
5a940 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 79 b6 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.y...R....default_ |
5a960 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 05 00 00 00 02 69 6e 63 68 69 00 3a 00 00 00 | fingerprint_size......inchi.:... |
5a980 | 49 6e 43 68 49 3d 31 53 2f 43 34 48 34 4e 32 4f 32 2f 63 37 2d 33 2d 31 2d 32 2d 34 28 38 29 36 | InChI=1S/C4H4N2O2/c7-3-1-2-4(8)6 |
5a9a0 | 2d 35 2d 33 2f 68 31 2d 32 48 2c 28 48 2c 35 2c 37 29 28 48 2c 36 2c 38 29 00 00 40 02 00 00 07 | -5-3/h1-2H,(H,5,7)(H,6,8)..@.... |
5a9c0 | 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 85 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..6+r.5o....warnings....... |
5a9e0 | 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 02 30 00 15 00 | fingerprints......MP2D.y....0... |
5aa00 | 00 00 39 3b 31 2d 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 | ..9;1-1-1;2-1-1;2-1-9;..1.....1; |
5aa20 | 31 2d 31 2d 31 3b 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 | 1-1-1;1-2-9;2-3-15;..2.....1;1-1 |
5aa40 | 2d 31 3b 31 2d 33 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 | -1;1-3-15;2-2-9;..3.....15;1-1-1 |
5aa60 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 31 35 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 | ;2-1-1;2-2-15;....dataset_ids... |
5aa80 | 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 | ...0.V..4+r.5o....1.V..:+r.5o... |
5aaa0 | 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 | .2.V..;+r.5o....3.V..<+r.5o....4 |
5aac0 | 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 | .V..=+r.5o....5.V..>+r.5o....6.V |
5aae0 | ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c | ..?+r.5o....7.V..@+r.5o....8.V.. |
5ab00 | 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 | A+r.5o....9.V..B+r.5o....10.V..C |
5ab20 | 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 | +r.5o.....features./....56ba0c34 |
5ab40 | 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 1a d5 78 cd 36 1e ea 3f | 2b72ed356f000000......0...x.6..? |
5ab60 | 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 09 | ...smiles.....OC(C(Cl)(Cl)Cl)O.. |
5ab80 | 75 70 64 61 74 65 64 5f 61 74 00 c0 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 82 | updated_at.....R....created_at.. |
5aba0 | b6 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | ...R....default_fingerprint_size |
5abc0 | 00 04 00 00 00 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 | ......inchi.*...InChI=1S/C2H3Cl3 |
5abe0 | 4f 32 2f 63 33 2d 32 28 34 2c 35 29 31 28 36 29 37 2f 68 31 2c 36 2d 37 48 00 00 91 04 00 00 07 | O2/c3-2(4,5)1(6)7/h1,6-7H....... |
5ac00 | 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 86 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 | _id.V..6+r.5o....warnings....... |
5ac20 | 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 0f 00 | fingerprints.{....MP2D.p....0... |
5ac40 | 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; |
5ac60 | 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- |
5ac80 | 33 3b 32 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 | 3;2-1-1;2-2-3;..3."...3;1-2-3;1- |
5aca0 | 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 34 00 15 00 00 00 33 | 1-8;2-1-1;2-2-3;2-1-19;..4.....3 |
5acc0 | 3b 31 2d 32 2d 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 | ;1-2-3;2-2-3;2-2-8;..5.....3;1-2 |
5ace0 | 2d 33 3b 31 2d 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 | -3;1-1-8;2-3-3;..6.....3;1-2-3;2 |
5ad00 | 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 3b 32 2d 32 2d 33 | -2-3;2-1-8;..7.....3;1-2-3;2-2-3 |
5ad20 | 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 2d 31 39 3b 32 | ;2-1-19;..8."...3;1-2-3;1-1-19;2 |
5ad40 | 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 3b 31 2d 31 2d | -2-3;2-1-8;2-2-9;..9.....19;1-1- |
5ad60 | 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 31 2d 31 39 3b | 3;1-2-9;2-2-3;..10.....9;1-1-19; |
5ad80 | 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 00 02 31 31 00 0f 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 | 2-1-3;2-1-9;..11.....8;1-2-3;2-4 |
5ada0 | 2d 33 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 33 2d 33 3b | -3;..12.....3;1-2-3;1-1-8;2-3-3; |
5adc0 | 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- |
5ade0 | 32 2d 33 3b 00 02 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 | 2-3;..14.....3;1-1-1;1-2-3;2-2-3 |
5ae00 | 3b 32 2d 33 2d 31 36 3b 00 02 31 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 | ;2-3-16;..15.....3;1-2-3;2-1-1;2 |
5ae20 | 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 36 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | -2-3;2-1-15;..16.....3;1-2-3;1-1 |
5ae40 | 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 37 00 10 00 00 00 31 35 3b 31 2d 31 2d | -15;2-2-3;2-1-8;..17.....15;1-1- |
5ae60 | 33 3b 32 2d 32 2d 33 3b 00 02 31 38 00 16 00 00 00 31 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 3b | 3;2-2-3;..18.....1;1-1-3;1-3-16; |
5ae80 | 32 2d 32 2d 33 3b 00 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 | 2-2-3;..19.....16;1-1-1;2-1-3;2- |
5aea0 | 32 2d 31 36 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 | 2-16;....dataset_ids......0.V..4 |
5aec0 | 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 | +r.5o....1.V..:+r.5o....2.V..;+r |
5aee0 | ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 | .5o....3.V..<+r.5o....4.V..=+r.5 |
5af00 | 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 | o....5.V..>+r.5o....6.V..?+r.5o. |
5af20 | 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 | ...7.V..@+r.5o....8.V..A+r.5o... |
5af40 | 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 | .9.V..B+r.5o....10.V..C+r.5o.... |
5af60 | 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 | .features./....56ba0c342b72ed356 |
5af80 | 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 ef 20 46 d4 8b 4f 9c 3f 00 00 02 73 6d 69 6c 65 73 | f000000......0...F..O.?...smiles |
5afa0 | 00 2a 00 00 00 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 | .*...CCOc1cc(ccc1N(=O)=O)Oc1ccc( |
5afc0 | 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 59 ea bf c6 52 | cc1Cl)C(F)(F)F..updated_at.Y...R |
5afe0 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 8c b6 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.....R....default_ |
5b000 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 14 00 00 00 02 69 6e 63 68 69 00 6b 00 00 00 | fingerprint_size......inchi.k... |
5b020 | 49 6e 43 68 49 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 | InChI=1S/C15H11ClF3NO4/c1-2-23-1 |
5b040 | 34 2d 38 2d 31 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 | 4-8-10(4-5-12(14)20(21)22)24-13- |
5b060 | 36 2d 33 2d 39 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 | 6-3-9(7-11(13)16)15(17,18)19/h3- |
5b080 | 38 48 2c 32 48 32 2c 31 48 33 00 00 9a 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 | 8H,2H2,1H3......._id.V..6+r.5o.. |
5b0a0 | 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 73 00 64 02 | ..warnings.......fingerprints.d. |
5b0c0 | 00 00 04 4d 50 32 44 00 59 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 | ...MP2D.Y....0.....1;1-1-1;2-1-1 |
5b0e0 | 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 |
5b100 | 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 32 2d 31 3b 32 2d 32 | ;1-2-1;2-2-1;..3.....1;1-2-1;2-2 |
5b120 | 2d 31 3b 32 2d 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 | -1;2-1-3;2-1-4;..4.....1;1-2-1;1 |
5b140 | 2d 31 2d 33 3b 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 | -1-3;1-1-4;2-1-1;2-2-3;2-1-7;2-1 |
5b160 | 2d 31 31 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 32 2d 31 3b | -11;..5.!...3;1-1-1;1-2-3;2-2-1; |
5b180 | 32 2d 32 2d 33 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 | 2-2-3;2-1-4;..6.....3;1-2-3;2-1- |
5b1a0 | 31 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 | 1;2-2-3;..7.....3;1-2-3;2-2-3;2- |
5b1c0 | 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 35 3b 32 2d 32 2d | 1-15;..8.....3;1-2-3;1-1-15;2-2- |
5b1e0 | 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 29 00 | 3;..9.....15;1-1-3;2-2-3;..10.). |
5b200 | 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 |
5b220 | 2d 34 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 2a 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -4;2-1-11;..11.*...11;1-1-1;1-1- |
5b240 | 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 32 | 3;1-1-11;2-1-1;2-1-3;2-1-11;..12 |
5b260 | 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 |
5b280 | 3b 00 02 31 33 00 11 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 34 00 17 | ;..13.....11;1-2-3;2-2-11;..14.. |
5b2a0 | 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 35 00 24 00 | ...3;1-2-11;2-1-3;2-1-11;..15.$. |
5b2c0 | 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- |
5b2e0 | 31 2d 31 31 3b 00 02 31 36 00 1b 00 00 00 34 3b 31 2d 31 2d 31 3b 31 2d 31 2d 37 3b 32 2d 32 2d | 1-11;..16.....4;1-1-1;1-1-7;2-2- |
5b300 | 31 3b 32 2d 31 2d 33 3b 00 02 31 37 00 0f 00 00 00 37 3b 31 2d 31 2d 34 3b 32 2d 31 2d 31 3b 00 | 1;2-1-3;..17.....7;1-1-4;2-1-1;. |
5b320 | 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 | ...dataset_ids......0.V..4+r.5o. |
5b340 | 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 | ...1.V..:+r.5o....2.V..;+r.5o... |
5b360 | 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 | .3.V..<+r.5o....4.V..<+r.5o....5 |
5b380 | 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 | .V..=+r.5o....6.V..>+r.5o....7.V |
5b3a0 | ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 38 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 39 00 56 ba 0c | ..?+r.5o....8.V..@+r.5o....9.V.. |
5b3c0 | 40 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 31 00 56 ba 0c | @+r.5o....10.V..A+r.5o....11.V.. |
5b3e0 | 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 | B+r.5o....12.V..C+r.5o.....featu |
5b400 | 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 | res.:....56ba0c342b72ed356f00000 |
5b420 | 30 00 1b 00 00 00 01 30 00 06 60 ba 37 45 72 a1 3f 01 31 00 83 dc 3f 64 1d 60 a1 3f 00 00 02 73 | 0......0..`.7Er.?.1...?d.`.?...s |
5b440 | 6d 69 6c 65 73 00 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 | miles.!...CCCCC(c1ccc(cc1)Cl)(Cn |
5b460 | 31 63 6e 63 6e 31 29 43 23 4e 00 09 75 70 64 61 74 65 64 5f 61 74 00 d3 e9 bf c6 52 01 00 00 09 | 1cncn1)C#N..updated_at.....R.... |
5b480 | 63 72 65 61 74 65 64 5f 61 74 00 93 b6 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at.....R....default_fing |
5b4a0 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 12 00 00 00 02 69 6e 63 68 69 00 69 00 00 00 49 6e 43 68 | erprint_size......inchi.i...InCh |
5b4c0 | 49 3d 31 53 2f 43 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 | I=1S/C15H17ClN4/c1-2-3-8-15(9-17 |
5b4e0 | 2c 31 30 2d 32 30 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 | ,10-20-12-18-11-19-20)13-4-6-14( |
5b500 | 31 36 29 37 2d 35 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 | 16)7-5-13/h4-7,11-12H,2-3,8,10H2 |
5b520 | 2c 31 48 33 00 00 1b 03 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 88 04 77 61 72 6e | ,1H3......._id.V..6+r.5o....warn |
5b540 | 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 01 00 00 04 4d 50 32 | ings.......fingerprints......MP2 |
5b560 | 44 00 15 01 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 | D......0.....32;1-1-19;2-1-3;2-1 |
5b580 | 2d 39 3b 00 02 31 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 | -9;..1.....19;1-1-3;1-1-9;1-1-32 |
5b5a0 | 3b 32 2d 32 2d 33 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 | ;2-2-3;..2.....9;1-1-19;2-1-3;2- |
5b5c0 | 31 2d 33 32 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 | 1-32;..3.#...3;1-2-3;1-1-19;2-2- |
5b5e0 | 33 3b 32 2d 31 2d 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 | 3;2-1-9;2-1-32;..4.....3;1-2-3;2 |
5b600 | 2d 32 2d 33 3b 32 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 | -2-3;2-2-19;..5.)...3;1-2-3;1-1- |
5b620 | 31 39 3b 32 2d 31 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 | 19;2-1-1;2-2-3;2-1-9;2-1-32;..6. |
5b640 | 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 39 3b 00 | ....3;1-1-1;1-2-3;2-2-3;2-2-19;. |
5b660 | 02 37 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 | .7.....1;1-1-3;2-2-3;....dataset |
5b680 | 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b | _ids......0.V..4+r.5o....1.V..:+ |
5b6a0 | 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed | r.5o....2.V..;+r.5o....3.V..<+r. |
5b6c0 | 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f | 5o....4.V..=+r.5o....5.V..>+r.5o |
5b6e0 | 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 | ....6.V..?+r.5o....7.V..@+r.5o.. |
5b700 | cd 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 | ..8.V..A+r.5o....9.V..B+r.5o.... |
5b720 | 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 | 10.V..C+r.5o.....features./....5 |
5b740 | 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 a0 | 6ba0c342b72ed356f000000......0.. |
5b760 | 41 56 7d 9c 08 82 3f 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 | AV}...?...smiles.4...[O-][N+](=O |
5b780 | 29 63 31 63 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 | )c1cc([N+](=O)[O-])c(c(c1)[N+](= |
5b7a0 | 4f 29 5b 4f 2d 5d 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 e0 e9 bf c6 52 01 00 00 09 63 72 | O)[O-])C..updated_at.....R....cr |
5b7c0 | 65 61 74 65 64 5f 61 74 00 99 b6 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at.....R....default_finger |
5b7e0 | 70 72 69 6e 74 5f 73 69 7a 65 00 08 00 00 00 02 69 6e 63 68 69 00 46 00 00 00 49 6e 43 68 49 3d | print_size......inchi.F...InChI= |
5b800 | 31 53 2f 43 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 | 1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8 |
5b820 | 28 31 31 29 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 | (11)12)3-7(4)10(15)16/h2-3H,1H3. |
5b840 | 00 a5 03 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 89 04 77 61 72 6e 69 6e 67 73 00 | ......_id.V..6+r.5o....warnings. |
5b860 | 05 00 00 00 00 03 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 | ......fingerprints......MP2D.... |
5b880 | 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. |
5b8a0 | 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 1b 00 00 00 | ....1;1-2-1;1-1-8;2-1-2;..2..... |
5b8c0 | 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 27 00 | 8;1-1-1;1-1-2;2-3-1;2-1-9;..3.'. |
5b8e0 | 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 2d 32 2d | ..2;1-1-1;1-1-8;1-1-9;2-1-1;2-2- |
5b900 | 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 31 3b 32 2d | 3;2-1-8;..4.....9;1-1-2;2-1-1;2- |
5b920 | 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 31 2d 38 3b | 1-8;..5.'...1;1-1-2;1-2-3;1-1-8; |
5b940 | 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 31 2d 31 2d | 2-4-3;2-1-8;2-1-9;..6.!...3;1-1- |
5b960 | 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 37 00 15 00 | 1;1-2-3;2-1-2;2-3-3;2-1-8;..7... |
5b980 | 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 00 00 33 3b | ..3;1-2-3;2-1-1;2-2-3;..8.....3; |
5b9a0 | 31 2d 32 2d 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 | 1-2-3;2-2-3;2-1-14;..9.....3;1-2 |
5b9c0 | 2d 33 3b 31 2d 31 2d 31 34 3b 32 2d 32 2d 33 3b 00 02 31 30 00 10 00 00 00 31 34 3b 31 2d 31 2d | -3;1-1-14;2-2-3;..10.....14;1-1- |
5b9e0 | 33 3b 32 2d 32 2d 33 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 | 3;2-2-3;..11.....8;1-1-1;2-1-2;2 |
5ba00 | 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 | -2-3;....dataset_ids......0.V..4 |
5ba20 | 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 | +r.5o....1.V..:+r.5o....2.V..;+r |
5ba40 | ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3d 2b 72 ed 35 | .5o....3.V..;+r.5o....4.V..=+r.5 |
5ba60 | 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 | o....5.V..>+r.5o....6.V..?+r.5o. |
5ba80 | 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 | ...7.V..@+r.5o....8.V..A+r.5o... |
5baa0 | 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 | .9.V..B+r.5o....10.V..C+r.5o.... |
5bac0 | 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 | .features./....56ba0c342b72ed356 |
5bae0 | 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 b5 fd 5b 23 2d 18 af 3f 00 00 02 73 6d 69 6c 65 73 | f000000......0...[#-..?...smiles |
5bb00 | 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 42 72 29 28 63 31 | .*...CC(OC(=O)C(c1ccc(cc1)Br)(c1 |
5bb20 | 63 63 63 28 63 63 31 29 42 72 29 4f 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 f5 e8 bf c6 52 | ccc(cc1)Br)O)C..updated_at.....R |
5bb40 | 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a0 b6 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f | ....created_at.....R....default_ |
5bb60 | 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0c 00 00 00 02 69 6e 63 68 69 00 65 00 00 00 | fingerprint_size......inchi.e... |
5bb80 | 49 6e 43 68 49 3d 31 53 2f 43 31 37 48 31 36 42 72 32 4f 33 2f 63 31 2d 31 31 28 32 29 32 32 2d | InChI=1S/C17H16Br2O3/c1-11(2)22- |
5bba0 | 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) |
5bbc0 | 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 |
5bbe0 | 2d 32 48 33 00 00 5a 02 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 8a 04 77 61 72 6e | -2H3..Z...._id.V..6+r.5o....warn |
5bc00 | 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 97 00 00 00 04 4d 50 32 | ings.......fingerprints......MP2 |
5bc20 | 44 00 8c 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 | D......0.....15;1-1-1;2-1-1;..1. |
5bc40 | 17 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 33 31 3b 00 02 32 00 1d 00 | ....1;1-1-1;1-1-15;2-1-31;..2... |
5bc60 | 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 31 35 3b 00 02 | ..1;1-1-1;1-1-31;2-3-1;2-1-15;.. |
5bc80 | 33 00 10 00 00 00 33 31 3b 31 2d 34 2d 31 3b 32 2d 31 2d 31 3b 00 02 34 00 10 00 00 00 31 3b 31 | 3.....31;1-4-1;2-1-1;..4.....1;1 |
5bca0 | 2d 31 2d 33 31 3b 32 2d 33 2d 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 | -1-31;2-3-1;....dataset_ids..... |
5bcc0 | 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 | .0.V..4+r.5o....1.V..:+r.5o....2 |
5bce0 | 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 | .V..;+r.5o....3.V..;+r.5o....4.V |
5bd00 | ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c | ..=+r.5o....5.V..>+r.5o....6.V.. |
5bd20 | 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b | ?+r.5o....7.V..@+r.5o....8.V..A+ |
5bd40 | 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 | r.5o....9.V..B+r.5o....10.V..C+r |
5bd60 | ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 | .5o.....features./....56ba0c342b |
5bd80 | 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 bd 83 79 fd a5 f6 f0 3f 00 00 | 72ed356f000000......0...y....?.. |
5bda0 | 02 73 6d 69 6c 65 73 00 10 00 00 00 43 6c 43 43 5b 4e 2b 5d 28 43 29 28 43 29 43 00 09 75 70 64 | .smiles.....ClCC[N+](C)(C)C..upd |
5bdc0 | 61 74 65 64 5f 61 74 00 de e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 a6 b6 bf c6 | ated_at.....R....created_at..... |
5bde0 | 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 05 00 | R....default_fingerprint_size... |
5be00 | 00 00 02 69 6e 63 68 69 00 32 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 31 33 43 6c 4e 2f 63 | ...inchi.2...InChI=1S/C5H13ClN/c |
5be20 | 31 2d 37 28 32 2c 33 29 35 2d 34 2d 36 2f 68 34 2d 35 48 32 2c 31 2d 33 48 33 2f 71 2b 31 00 00 | 1-7(2,3)5-4-6/h4-5H2,1-3H3/q+1.. |
5be40 | 99 03 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 8b 04 77 61 72 6e 69 6e 67 73 00 05 | ....._id.V..6+r.5o....warnings.. |
5be60 | 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 01 00 00 | .....fingerprints......MP2D..... |
5be80 | 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. |
5bea0 | 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 2d 32 2d 33 3b 00 | ....3;1-1-1;1-1-3;1-1-11;2-2-3;. |
5bec0 | 02 32 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 2d | .2.$...11;1-2-3;2-1-1;2-1-3;2-1- |
5bee0 | 31 31 3b 32 2d 31 2d 31 39 3b 00 02 33 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 | 11;2-1-19;..3.....3;1-2-11;1-1-1 |
5bf00 | 39 3b 32 2d 33 2d 33 3b 00 02 34 00 17 00 00 00 31 39 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 | 9;2-3-3;..4.....19;1-2-3;2-2-3;2 |
5bf20 | 2d 32 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 39 3b 32 2d 33 | -2-11;..5.....3;1-2-3;1-1-19;2-3 |
5bf40 | 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 3b | -3;..6.....3;1-2-3;2-2-3;2-1-19; |
5bf60 | 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 22 00 00 00 33 3b | ..7.....3;1-2-3;2-2-3;..8."...3; |
5bf80 | 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 | 1-1-1;1-1-3;1-1-11;2-2-1;2-2-3;. |
5bfa0 | 02 39 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 3b 00 02 31 30 | .9.....3;1-2-3;2-2-1;2-2-11;..10 |
5bfc0 | 00 22 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 31 2d 33 3b 32 | ."...1;1-2-1;1-1-3;2-2-1;2-1-3;2 |
5bfe0 | 2d 31 2d 31 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 | -1-11;..11.....1;1-2-1;2-2-1;2-1 |
5c000 | 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 | -3;....dataset_ids......0.V..4+r |
5c020 | ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 | .5o....1.V..:+r.5o....2.V..;+r.5 |
5c040 | 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 | o....3.V..<+r.5o....4.V..=+r.5o. |
5c060 | 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb | ...5.V..>+r.5o....6.V..?+r.5o... |
5c080 | 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 | .7.V..@+r.5o....8.V..A+r.5o....9 |
5c0a0 | 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 | .V..B+r.5o....10.V..C+r.5o.....f |
5c0c0 | 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 | eatures./....56ba0c342b72ed356f0 |
5c0e0 | 30 30 30 30 30 00 10 00 00 00 01 30 00 7f a8 c1 96 f9 39 c4 3f 00 00 02 73 6d 69 6c 65 73 00 1c | 00000......0......9.?...smiles.. |
5c100 | 00 00 00 43 63 31 6e 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 | ...Cc1nc(Nc2ccccc2)nc(c1)C1CC1.. |
5c120 | 75 70 64 61 74 65 64 5f 61 74 00 ac e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 b0 | updated_at.....R....created_at.. |
5c140 | b6 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 | ...R....default_fingerprint_size |
5c160 | 00 0c 00 00 00 02 69 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 | ......inchi.h...InChI=1S/C14H15N |
5c180 | 33 2f 63 31 2d 31 30 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 | 3/c1-10-9-13(11-7-8-11)17-14(15- |
5c1a0 | 31 30 29 31 36 2d 31 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 | 10)16-12-5-3-2-4-6-12/h2-6,9,11H |
5c1c0 | 2c 37 2d 38 48 32 2c 31 48 33 2c 28 48 2c 31 35 2c 31 36 2c 31 37 29 00 00 bc 04 00 00 07 5f 69 | ,7-8H2,1H3,(H,15,16,17)......._i |
5c1e0 | 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 8c 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..6+r.5o....warnings.......fi |
5c200 | 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 16 00 00 00 | ngerprints......MP2D......0..... |
5c220 | 39 3b 31 2d 31 2d 32 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 | 9;1-1-2;2-1-8;2-1-28;..1.)...2;1 |
5c240 | 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 32 2d | -1-8;1-1-9;1-1-28;2-1-1;2-1-2;2- |
5c260 | 31 2d 31 39 3b 00 02 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 | 1-19;..2.....8;1-1-1;1-1-2;2-1-1 |
5c280 | 3b 32 2d 31 2d 32 3b 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 | ;2-1-2;2-1-3;2-1-9;2-1-28;..3.4. |
5c2a0 | 00 00 31 3b 31 2d 31 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 | ..1;1-1-1;1-1-2;1-1-3;1-1-8;2-1- |
5c2c0 | 32 3b 32 2d 32 2d 33 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 | 2;2-2-3;2-1-9;2-1-28;..4.5...2;1 |
5c2e0 | 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 32 3b 32 2d | -1-1;1-1-9;1-1-28;2-1-1;2-1-2;2- |
5c300 | 31 2d 33 3b 32 2d 31 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 | 1-3;2-1-8;2-1-19;..5.....9;1-1-2 |
5c320 | 3b 32 2d 31 2d 31 3b 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 | ;2-1-1;2-1-28;..6.)...28;1-2-2;1 |
5c340 | 2d 31 2d 31 39 3b 32 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 | -1-19;2-1-1;2-1-3;2-1-8;2-2-9;.. |
5c360 | 37 00 1d 00 00 00 31 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 | 7.....19;1-1-3;1-1-28;2-2-2;2-2- |
5c380 | 33 3b 00 02 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 | 3;..8.....3;1-2-3;1-1-19;2-2-3;2 |
5c3a0 | 2d 31 2d 32 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 | -1-28;..9.....3;1-2-3;2-2-3;2-1- |
5c3c0 | 31 39 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 1b | 19;..10.....3;1-2-3;2-2-3;..11.. |
5c3e0 | 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 38 3b 00 02 31 | ...1;1-1-1;2-1-2;2-1-3;2-1-8;..1 |
5c400 | 32 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 2d 31 2d 32 3b | 2.'...3;1-1-1;1-2-3;2-1-1;2-1-2; |
5c420 | 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 |
5c440 | 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 32 2d 32 2d 33 3b | -1;2-2-3;..14.....3;1-2-3;2-2-3; |
5c460 | 32 2d 31 2d 38 3b 00 02 31 35 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 | 2-1-8;..15.....3;1-2-3;1-1-8;2-3 |
5c480 | 2d 33 3b 00 02 31 36 00 0f 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 00 00 04 64 61 | -3;..16.....8;1-2-3;2-4-3;....da |
5c4a0 | 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 | taset_ids......0.V..4+r.5o....1. |
5c4c0 | 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba | V..:+r.5o....2.V..;+r.5o....3.V. |
5c4e0 | 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e | .<+r.5o....4.V..=+r.5o....5.V..> |
5c500 | 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 | +r.5o....6.V..?+r.5o....7.V..@+r |
5c520 | ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 | .5o....8.V..A+r.5o....9.V..B+r.5 |
5c540 | 6f 00 01 d1 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f | o....10.V..C+r.5o.....features./ |
5c560 | 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 | ....56ba0c342b72ed356f000000.... |
5c580 | 00 01 30 00 ce 44 60 8a 9a f9 a6 3f 00 00 02 73 6d 69 6c 65 73 00 2f 00 00 00 4f 3d 43 31 4f 43 | ..0..D`....?...smiles./...O=C1OC |
5c5a0 | 28 43 28 3d 4f 29 4e 31 4e 63 31 63 63 63 63 63 31 29 28 43 29 63 31 63 63 63 28 63 63 31 29 4f | (C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)O |
5c5c0 | 63 31 63 63 63 63 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 5f ea bf c6 52 01 00 00 09 63 72 | c1ccccc1..updated_at._...R....cr |
5c5e0 | 65 61 74 65 64 5f 61 74 00 bb b6 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at.....R....default_finger |
5c600 | 70 72 69 6e 74 5f 73 69 7a 65 00 11 00 00 00 02 69 6e 63 68 69 00 7a 00 00 00 49 6e 43 68 49 3d | print_size......inchi.z...InChI= |
5c620 | 31 53 2f 43 32 32 48 31 38 4e 32 4f 34 2f 63 31 2d 32 32 28 31 36 2d 31 32 2d 31 34 2d 31 39 28 | 1S/C22H18N2O4/c1-22(16-12-14-19( |
5c640 | 31 35 2d 31 33 2d 31 36 29 32 37 2d 31 38 2d 31 30 2d 36 2d 33 2d 37 2d 31 31 2d 31 38 29 32 30 | 15-13-16)27-18-10-6-3-7-11-18)20 |
5c660 | 28 32 35 29 32 34 28 32 31 28 32 36 29 32 38 2d 32 32 29 32 33 2d 31 37 2d 38 2d 34 2d 32 2d 35 | (25)24(21(26)28-22)23-17-8-4-2-5 |
5c680 | 2d 39 2d 31 37 2f 68 32 2d 31 35 2c 32 33 48 2c 31 48 33 00 00 14 04 00 00 07 5f 69 64 00 56 ba | -9-17/h2-15,23H,1H3......._id.V. |
5c6a0 | 0c 36 2b 72 ed 35 6f 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 | .6+r.5o....warnings.......finger |
5c6c0 | 70 72 69 6e 74 73 00 03 02 00 00 04 4d 50 32 44 00 f8 01 00 00 02 30 00 16 00 00 00 39 3b 31 2d | prints......MP2D......0.....9;1- |
5c6e0 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 31 00 22 00 00 00 32 3b 31 2d 31 2d 31 | 1-2;2-1-1;2-1-28;..1."...2;1-1-1 |
5c700 | 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 00 22 00 | ;1-1-9;1-1-28;2-3-1;2-1-3;..2.". |
5c720 | 00 00 31 3b 31 2d 33 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 | ..1;1-3-1;1-1-2;2-2-1;2-1-9;2-1- |
5c740 | 32 38 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 32 3b 00 | 28;..3.....1;1-1-1;2-2-1;2-1-2;. |
5c760 | 02 34 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 35 00 0f | .4.....1;1-2-1;2-3-1;2-1-2;..5.. |
5c780 | 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 36 00 22 00 00 00 32 38 3b 31 2d 31 2d | ...1;1-2-1;2-2-1;..6."...28;1-1- |
5c7a0 | 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 37 00 23 00 | 2;1-1-3;2-1-1;2-2-3;2-1-9;..7.#. |
5c7c0 | 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 2d 31 | ..3;1-2-3;1-1-28;2-1-2;2-2-3;2-1 |
5c7e0 | 2d 31 35 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 32 38 | -15;..8.....3;1-2-3;2-2-3;2-1-28 |
5c800 | 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 00 02 31 | ;..9.....3;1-2-3;2-2-3;2-1-8;..1 |
5c820 | 30 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 31 35 | 0.....3;1-2-3;1-1-8;2-2-3;2-1-15 |
5c840 | 3b 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 32 2d 33 3b 32 | ;..11.#...3;1-2-3;1-1-15;2-2-3;2 |
5c860 | 2d 31 2d 38 3b 32 2d 31 2d 31 35 3b 00 02 31 32 00 24 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | -1-8;2-1-15;..12.$...3;1-2-3;1-1 |
5c880 | 2d 31 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 32 38 3b 00 02 31 33 00 10 00 00 | -15;2-2-3;2-1-15;2-1-28;..13.... |
5c8a0 | 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 34 00 0f 00 00 00 38 3b 31 2d 31 2d 33 | .15;1-1-3;2-2-3;..14.....8;1-1-3 |
5c8c0 | 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba | ;2-2-3;....dataset_ids......0.V. |
5c8e0 | 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b | .4+r.5o....1.V..:+r.5o....2.V..; |
5c900 | 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 | +r.5o....3.V..<+r.5o....4.V..=+r |
5c920 | ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 | .5o....5.V..>+r.5o....6.V..?+r.5 |
5c940 | 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 | o....7.V..@+r.5o....8.V..A+r.5o. |
5c960 | 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 | ...9.V..B+r.5o....10.V..C+r.5o.. |
5c980 | d3 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 | ...features./....56ba0c342b72ed3 |
5c9a0 | 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 b0 fb 10 dc 98 eb ee 3f 00 00 02 73 6d 69 6c | 56f000000......0........?...smil |
5c9c0 | 65 73 00 23 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 | es.#...O=C(C1(C)CCCCC1)Nc1ccc(c( |
5c9e0 | 63 31 43 6c 29 43 6c 29 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 6d e6 bf c6 52 01 00 00 09 63 | c1Cl)Cl)O..updated_at.m...R....c |
5ca00 | 72 65 61 74 65 64 5f 61 74 00 c1 b6 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.....R....default_finge |
5ca20 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 0f 00 00 00 02 69 6e 63 68 69 00 6d 00 00 00 49 6e 43 68 49 | rprint_size......inchi.m...InChI |
5ca40 | 3d 31 53 2f 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 | =1S/C14H17Cl2NO2/c1-14(7-3-2-4-8 |
5ca60 | 2d 31 34 29 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 | -14)13(19)17-9-5-6-10(18)12(16)1 |
5ca80 | 31 28 39 29 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 | 1(9)15/h5-6,18H,2-4,7-8H2,1H3,(H |
5caa0 | 2c 31 37 2c 31 39 29 00 00 2b 04 00 00 07 5f 69 64 00 56 ba 0c 36 2b 72 ed 35 6f 00 01 8e 04 77 | ,17,19)..+...._id.V..6+r.5o....w |
5cac0 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 31 02 00 00 04 | arnings.......fingerprints.1.... |
5cae0 | 4d 50 32 44 00 26 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 | MP2D.&....0.....7;1-1-4;2-1-3;.. |
5cb00 | 31 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 00 02 32 00 22 00 | 1.....4;1-1-3;1-1-7;2-2-3;..2.". |
5cb20 | 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 31 2d | ..3;1-2-3;1-1-4;2-2-3;2-1-7;2-1- |
5cb40 | 31 31 3b 00 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 | 11;..3.#...3;1-1-3;1-1-11;2-2-3; |
5cb60 | 32 2d 31 2d 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 | 2-1-4;2-1-13;..4.....11;1-2-3;1- |
5cb80 | 31 2d 31 33 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 | 1-13;2-2-3;..5.....13;1-1-11;2-2 |
5cba0 | 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 33 2d 33 3b | -3;..6.....3;1-1-3;1-1-11;2-3-3; |
5cbc0 | 32 2d 31 2d 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 | 2-1-13;..7.....3;1-3-3;2-3-3;2-1 |
5cbe0 | 2d 34 3b 32 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 | -4;2-1-11;..8.....3;1-3-3;2-4-3; |
5cc00 | 32 2d 31 2d 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 | 2-1-8;..9.....3;1-2-3;2-3-3;..10 |
5cc20 | 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 31 2d | .....3;1-2-3;2-2-3;..11.....3;1- |
5cc40 | 32 2d 33 3b 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 | 2-3;2-2-3;2-1-8;..12.!...3;1-2-3 |
5cc60 | 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 31 33 00 21 00 | ;1-1-8;2-1-1;2-2-3;2-1-8;..13.!. |
5cc80 | 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 32 2d 31 2d | ..3;1-2-3;1-1-8;2-1-1;2-3-3;2-1- |
5cca0 | 38 3b 00 02 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 | 8;..14."...8;1-1-1;1-1-3;2-2-3;2 |
5ccc0 | 2d 31 2d 38 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 | -1-8;2-2-16;..15.....1;1-2-8;1-2 |
5cce0 | 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 31 36 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d 32 2d | -16;2-2-3;..16.....16;1-1-1;2-2- |
5cd00 | 38 3b 32 2d 31 2d 31 36 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 | 8;2-1-16;....dataset_ids......0. |
5cd20 | 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba | V..4+r.5o....1.V..:+r.5o....2.V. |
5cd40 | 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d | .;+r.5o....3.V..<+r.5o....4.V..= |
5cd60 | 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 | +r.5o....5.V..>+r.5o....6.V..?+r |
5cd80 | ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 | .5o....7.V..@+r.5o....8.V..A+r.5 |
5cda0 | 6f 00 01 cf 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f | o....9.V..B+r.5o....10.V..C+r.5o |
5cdc0 | 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 | .....features./....56ba0c342b72e |
5cde0 | 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 32 7a 30 a7 ad 5d dc 3f 00 00 02 73 6d | d356f000000......0.2z0..].?...sm |
5ce00 | 69 6c 65 73 00 21 00 00 00 4e 23 43 63 31 63 5b 6e 48 5d 63 63 31 63 31 63 63 63 63 32 63 31 4f | iles.!...N#Cc1c[nH]cc1c1cccc2c1O |
5ce20 | 43 28 4f 32 29 28 46 29 46 00 09 75 70 64 61 74 65 64 5f 61 74 00 31 ea bf c6 52 01 00 00 09 63 | C(O2)(F)F..updated_at.1...R....c |
5ce40 | 72 65 61 74 65 64 5f 61 74 00 c8 b6 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.....R....default_finge |
5ce60 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 11 00 00 00 02 69 6e 63 68 69 00 58 00 00 00 49 6e 43 68 49 | rprint_size......inchi.X...InChI |
5ce80 | 3d 31 53 2f 43 31 32 48 36 46 32 4e 32 4f 32 2f 63 31 33 2d 31 32 28 31 34 29 31 37 2d 31 30 2d | =1S/C12H6F2N2O2/c13-12(14)17-10- |
5cea0 | 33 2d 31 2d 32 2d 38 28 31 31 28 31 30 29 31 38 2d 31 32 29 39 2d 36 2d 31 36 2d 35 2d 37 28 39 | 3-1-2-8(11(10)18-12)9-6-16-5-7(9 |
5cec0 | 29 34 2d 31 35 2f 68 31 2d 33 2c 35 2d 36 2c 31 36 48 00 00 28 03 00 00 07 5f 69 64 00 56 ba 0c | )4-15/h1-3,5-6,16H..(...._id.V.. |
5cee0 | 36 2b 72 ed 35 6f 00 01 8f 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 | 6+r.5o....warnings.......fingerp |
5cf00 | 72 69 6e 74 73 00 0b 01 00 00 04 4d 50 32 44 00 00 01 00 00 02 30 00 12 00 00 00 31 39 3b 31 2d | rints......MP2D......0.....19;1- |
5cf20 | 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 3b 32 2d | 1-33;2-2-19;..1.....33;1-3-19;2- |
5cf40 | 31 2d 31 3b 00 02 32 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 | 1-1;..2.....19;1-1-1;1-1-33;2-1- |
5cf60 | 31 3b 32 2d 32 2d 31 39 3b 00 02 33 00 1d 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 39 3b | 1;2-2-19;..3.....1;1-1-1;1-1-19; |
5cf80 | 32 2d 31 2d 31 3b 32 2d 31 2d 33 33 3b 00 02 34 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 | 2-1-1;2-1-33;..4.....1;1-2-1;2-1 |
5cfa0 | 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 35 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b | -1;2-1-19;..5.....1;1-2-1;2-2-1; |
5cfc0 | 00 02 36 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 37 00 | ..6.....1;1-2-1;2-1-1;2-1-5;..7. |
5cfe0 | 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 38 00 0f 00 00 00 | ....1;1-1-1;1-1-5;2-2-1;..8..... |
5d000 | 35 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 | 5;1-2-1;2-2-1;....dataset_ids... |
5d020 | 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 | ...0.V..4+r.5o....1.V..:+r.5o... |
5d040 | 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 | .2.V..;+r.5o....3.V..<+r.5o....4 |
5d060 | 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 | .V..=+r.5o....5.V..=+r.5o....6.V |
5d080 | ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c | ..?+r.5o....7.V..@+r.5o....8.V.. |
5d0a0 | 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 | A+r.5o....9.V..B+r.5o....10.V..C |
5d0c0 | 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 | +r.5o.....features./....56ba0c34 |
5d0e0 | 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 fb c7 9a 21 f9 5b ab 3f | 2b72ed356f000000......0....!.[.? |
5d100 | 00 00 02 73 6d 69 6c 65 73 00 20 00 00 00 4e 43 28 3d 4e 43 43 43 43 43 43 43 43 4e 43 43 43 43 | ...smiles.....NC(=NCCCCCCCCNCCCC |
5d120 | 43 43 43 43 4e 3d 43 28 4e 29 4e 29 4e 00 09 75 70 64 61 74 65 64 5f 61 74 00 8b e9 bf c6 52 01 | CCCCN=C(N)N)N..updated_at.....R. |
5d140 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d2 b6 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at.....R....default_f |
5d160 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 09 00 00 00 02 69 6e 63 68 69 00 7c 00 00 00 49 | ingerprint_size......inchi.|...I |
5d180 | 6e 43 68 49 3d 31 53 2f 43 31 38 48 34 31 4e 37 2f 63 31 39 2d 31 37 28 32 30 29 32 34 2d 31 35 | nChI=1S/C18H41N7/c19-17(20)24-15 |
5d1a0 | 2d 31 31 2d 37 2d 33 2d 31 2d 35 2d 39 2d 31 33 2d 32 33 2d 31 34 2d 31 30 2d 36 2d 32 2d 34 2d | -11-7-3-1-5-9-13-23-14-10-6-2-4- |
5d1c0 | 38 2d 31 32 2d 31 36 2d 32 35 2d 31 38 28 32 31 29 32 32 2f 68 32 33 48 2c 31 2d 31 36 48 32 2c | 8-12-16-25-18(21)22/h23H,1-16H2, |
5d1e0 | 28 48 34 2c 31 39 2c 32 30 2c 32 34 29 28 48 34 2c 32 31 2c 32 32 2c 32 35 29 00 00 90 04 00 00 | (H4,19,20,24)(H4,21,22,25)...... |
5d200 | 07 5f 69 64 00 56 ba 0c 37 2b 72 ed 35 6f 00 01 90 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V..7+r.5o....warnings...... |
5d220 | 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 8d 02 00 00 04 4d 50 32 44 00 82 02 00 00 02 30 00 18 | .fingerprints......MP2D......0.. |
5d240 | 00 00 00 33 32 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 31 00 1f 00 | ...32;1-1-19;2-1-9;2-1-19;..1... |
5d260 | 00 00 31 39 3b 31 2d 31 2d 39 3b 31 2d 31 2d 31 39 3b 31 2d 31 2d 33 32 3b 32 2d 31 2d 33 33 3b | ..19;1-1-9;1-1-19;1-1-32;2-1-33; |
5d280 | 00 02 32 00 18 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 31 39 3b 32 2d 31 2d 33 32 3b 00 | ..2.....9;1-1-19;2-1-19;2-1-32;. |
5d2a0 | 02 33 00 2c 00 00 00 31 39 3b 31 2d 31 2d 31 39 3b 31 2d 31 2d 33 33 3b 32 2d 31 2d 36 3b 32 2d | .3.,...19;1-1-19;1-1-33;2-1-6;2- |
5d2c0 | 31 2d 39 3b 32 2d 31 2d 31 39 3b 32 2d 31 2d 33 32 3b 00 02 34 00 1e 00 00 00 33 33 3b 31 2d 31 | 1-9;2-1-19;2-1-32;..4.....33;1-1 |
5d2e0 | 2d 36 3b 31 2d 32 2d 31 39 3b 32 2d 33 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 35 00 1d 00 00 00 36 | -6;1-2-19;2-3-1;2-1-19;..5.....6 |
5d300 | 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 36 00 1d | ;1-1-1;1-1-33;2-1-1;2-2-19;..6.. |
5d320 | 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 32 2d 31 2d 33 33 3b 00 | ...1;1-1-1;1-1-6;2-1-19;2-1-33;. |
5d340 | 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 3b 32 2d 31 2d | .7.#...1;1-1-1;1-1-19;2-1-1;2-1- |
5d360 | 36 3b 32 2d 31 2d 33 33 3b 00 02 38 00 2a 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 33 | 6;2-1-33;..8.*...19;1-2-1;1-1-33 |
5d380 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 32 2d 31 2d 31 39 3b 00 02 39 00 23 00 | ;2-1-1;2-1-3;2-1-6;2-1-19;..9.#. |
5d3a0 | 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 32 2d 33 3b 32 2d 31 | ..1;1-1-3;1-1-19;2-1-1;2-2-3;2-1 |
5d3c0 | 2d 33 33 3b 00 02 31 30 00 23 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 | -33;..10.#...3;1-1-1;1-2-3;2-1-3 |
5d3e0 | 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | ;2-1-11;2-1-19;..11.....3;1-2-3; |
5d400 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 32 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | 2-1-1;2-2-3;..12.....3;1-2-3;2-1 |
5d420 | 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 35 3b 00 02 31 33 00 1d 00 00 00 33 3b 31 2d 31 2d | -3;2-1-11;2-1-15;..13.....3;1-1- |
5d440 | 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 02 31 34 00 17 00 00 00 31 | 3;1-1-11;1-1-15;2-2-3;..14.....1 |
5d460 | 31 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 1c 00 00 00 33 3b | 1;1-2-3;2-2-3;2-1-15;..15.....3; |
5d480 | 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 00 17 00 | 1-1-3;1-1-11;2-1-1;2-2-3;..16... |
5d4a0 | 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 00 00 04 64 61 74 61 | ..15;1-1-3;2-1-3;2-1-11;....data |
5d4c0 | 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba | set_ids......0.V..4+r.5o....1.V. |
5d4e0 | 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c | .:+r.5o....2.V..;+r.5o....3.V..< |
5d500 | 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 | +r.5o....4.V..=+r.5o....5.V..>+r |
5d520 | ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 | .5o....6.V..?+r.5o....7.V..@+r.5 |
5d540 | 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 | o....8.V..A+r.5o....9.V..B+r.5o. |
5d560 | 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 | ...10.V..C+r.5o.....features./.. |
5d580 | 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 | ..56ba0c342b72ed356f000000...... |
5d5a0 | 30 00 b3 71 c4 48 c5 05 b1 3f 00 00 02 73 6d 69 6c 65 73 00 23 00 00 00 5b 4f 2d 5d 5b 4e 2b 5d | 0..q.H...?...smiles.#...[O-][N+] |
5d5c0 | 28 3d 4f 29 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 | (=O)NC1=NCCN1Cc1ccc(nc1)Cl..upda |
5d5e0 | 74 65 64 5f 61 74 00 89 e6 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d9 b6 bf c6 52 | ted_at.....R....created_at.....R |
5d600 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 11 00 00 | ....default_fingerprint_size.... |
5d620 | 00 02 69 6e 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 | ..inchi._...InChI=1S/C9H10ClN5O2 |
5d640 | 2f 63 31 30 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 | /c10-8-2-1-7(5-12-8)6-14-4-3-11- |
5d660 | 39 28 31 34 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 | 9(14)13-15(16)17/h1-2,5H,3-4,6H2 |
5d680 | 2c 28 48 2c 31 31 2c 31 33 29 00 00 f3 06 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 ed 35 6f 00 01 | ,(H,11,13)......._id.V..7+r.5o.. |
5d6a0 | 91 04 77 61 72 6e 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 04 | ..warnings.......fingerprints... |
5d6c0 | 00 00 04 4d 50 32 44 00 85 04 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 |
5d6e0 | 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 3b 32 2d 31 | ;..1.....8;1-1-1;1-1-2;2-1-9;2-1 |
5d700 | 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 31 2d 31 2d 32 38 | -28;..2.(...2;1-1-8;1-1-9;1-1-28 |
5d720 | 3b 32 2d 31 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 | ;2-1-1;2-1-2;2-1-3;..3.....9;1-1 |
5d740 | 2d 32 3b 32 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 | -2;2-1-8;2-1-28;..4.)...28;1-2-2 |
5d760 | 3b 31 2d 31 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 | ;1-1-3;2-2-3;2-1-8;2-2-9;2-1-28; |
5d780 | 00 02 35 00 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 | ..5.(...2;1-1-9;1-2-28;2-1-1;2-1 |
5d7a0 | 2d 32 3b 32 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 | -2;2-1-3;2-1-6;..6.....9;1-1-2;2 |
5d7c0 | 2d 32 2d 32 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 | -2-28;..7./...28;1-1-1;1-1-2;1-1 |
5d7e0 | 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 32 38 3b 00 02 38 00 | -6;2-1-2;2-1-8;2-1-9;2-1-28;..8. |
5d800 | 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 2d 32 3b 32 | "...1;1-1-8;1-1-28;2-1-1;2-1-2;2 |
5d820 | 2d 31 2d 36 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 | -1-6;..9.....8;1-2-1;2-1-1;2-2-2 |
5d840 | 3b 32 2d 31 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 | ;2-1-28;..10.3...1;1-1-1;1-2-2;1 |
5d860 | 2d 31 2d 38 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 | -1-8;2-1-1;2-2-3;2-1-6;2-1-8;2-1 |
5d880 | 2d 39 3b 00 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 | -9;..11.4...2;1-1-1;1-1-3;1-1-6; |
5d8a0 | 32 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 32 38 3b 00 | 2-1-1;2-1-2;2-2-3;2-1-8;2-1-28;. |
5d8c0 | 02 31 32 00 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 | .12."...6;1-1-2;1-1-28;2-2-1;2-1 |
5d8e0 | 2d 32 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 2d 33 3b | -2;2-1-3;..13.!...3;1-1-2;1-2-3; |
5d900 | 32 2d 32 2d 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 | 2-2-1;2-2-3;2-1-6;..14.....3;1-2 |
5d920 | 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 2d 33 3b | -3;2-1-2;2-2-3;..15.....3;1-2-3; |
5d940 | 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 31 2d | 2-2-3;2-1-15;..16.....3;1-2-3;1- |
5d960 | 31 2d 31 35 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 | 1-15;2-2-3;..17.....3;1-2-3;2-1- |
5d980 | 31 3b 32 2d 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 | 1;2-2-3;2-1-15;..18.!...3;1-1-1; |
5d9a0 | 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 31 39 00 21 00 00 | 1-2-3;2-1-1;2-1-2;2-2-3;..19.!.. |
5d9c0 | 00 31 3b 31 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 | .1;1-1-1;1-1-3;2-2-2;2-2-3;2-1-8 |
5d9e0 | 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 00 02 32 31 00 27 00 | ;..20.....15;1-1-3;2-2-3;..21.'. |
5da00 | 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- |
5da20 | 32 3b 32 2d 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 | 2;2-1-8;..22.....9;1-1-2;2-1-1;2 |
5da40 | 2d 31 2d 38 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 | -1-8;..23.....8;1-1-1;1-1-2;2-1- |
5da60 | 31 3b 32 2d 31 2d 39 3b 00 02 32 34 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b | 1;2-1-9;..24.....3;1-2-3;1-1-28; |
5da80 | 32 2d 32 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 35 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 | 2-2-2;2-2-3;..25.....3;1-2-3;2-2 |
5daa0 | 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 32 36 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | -3;2-1-28;..26.....3;1-2-3;2-2-3 |
5dac0 | 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 2d 31 2d 38 3b 32 2d | ;2-1-8;..27.....3;1-2-3;1-1-8;2- |
5dae0 | 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 38 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 | 1-1;2-2-3;..28.....8;1-1-1;1-1-3 |
5db00 | 3b 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 32 39 00 16 00 00 00 31 3b 31 2d 31 2d 38 3b 31 | ;2-2-3;2-3-16;..29.....1;1-1-8;1 |
5db20 | 2d 33 2d 31 36 3b 32 2d 31 2d 33 3b 00 02 33 30 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b 32 2d | -3-16;2-1-3;..30.....16;1-1-1;2- |
5db40 | 31 2d 38 3b 32 2d 32 2d 31 36 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 | 1-8;2-2-16;....dataset_ids...... |
5db60 | 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 | 0.V..4+r.5o....1.V..:+r.5o....2. |
5db80 | 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba | V..;+r.5o....3.V..;+r.5o....4.V. |
5dba0 | 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f | .=+r.5o....5.V..>+r.5o....6.V..? |
5dbc0 | 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 | +r.5o....7.V..@+r.5o....8.V..A+r |
5dbe0 | ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed | .5o....9.V..B+r.5o....10.V..C+r. |
5dc00 | 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 | 5o.....features./....56ba0c342b7 |
5dc20 | 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 b6 73 cc a4 9f ef 7b 3f 00 00 02 | 2ed356f000000......0..s....{?... |
5dc40 | 73 6d 69 6c 65 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 | smiles.F...COC(=O)N(C(=O)N1COC2( |
5dc60 | 43 28 3d 4e 31 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 | C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1c |
5dc80 | 63 63 28 63 63 31 29 4f 43 28 46 29 28 46 29 46 00 09 75 70 64 61 74 65 64 5f 61 74 00 0f e9 bf | cc(cc1)OC(F)(F)F..updated_at.... |
5dca0 | c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 e1 b6 bf c6 52 01 00 00 10 64 65 66 61 75 6c | .R....created_at.....R....defaul |
5dcc0 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 1f 00 00 00 02 69 6e 63 68 69 00 9c 00 | t_fingerprint_size......inchi... |
5dce0 | 00 00 49 6e 43 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 | ..InChI=1S/C22H17ClF3N3O7/c1-33- |
5dd00 | 31 38 28 33 30 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 | 18(30)21-10-12-9-13(23)3-8-16(12 |
5dd20 | 29 31 37 28 32 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 | )17(21)27-28(11-35-21)19(31)29(2 |
5dd40 | 30 28 33 32 29 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 | 0(32)34-2)14-4-6-15(7-5-14)36-22 |
5dd60 | 28 32 34 2c 32 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 f7 | (24,25)26/h3-9H,10-11H2,1-2H3... |
5dd80 | 04 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 ed 35 6f 00 01 92 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..7+r.5o....warnings... |
5dda0 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 ca 02 00 00 04 4d 50 32 44 00 bf 02 00 00 02 | ....fingerprints......MP2D...... |
5ddc0 | 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- |
5dde0 | 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; |
5de00 | 31 2d 31 2d 38 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 | 1-1-8;2-2-1;2-2-3;..3.....3;1-2- |
5de20 | 33 3b 32 2d 32 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 | 3;2-2-3;2-1-8;..4.....3;1-2-3;2- |
5de40 | 32 2d 33 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 33 3b | 2-3;..5.....3;1-2-3;2-1-2;2-2-3; |
5de60 | 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 31 3b 32 2d 32 2d | ..6.(...3;1-1-2;1-2-3;2-1-1;2-2- |
5de80 | 33 3b 32 2d 31 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 | 3;2-1-9;2-1-28;..7.!...3;1-1-1;1 |
5dea0 | 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 38 00 0f 00 00 00 31 | -2-3;2-1-2;2-2-3;2-1-8;..8.....1 |
5dec0 | 3b 31 2d 31 2d 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 | ;1-1-3;2-2-3;..9.#...2;1-1-3;1-1 |
5dee0 | 2d 39 3b 31 2d 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 | -9;1-1-28;2-2-3;2-1-28;..10..... |
5df00 | 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 29 00 00 00 32 38 | 9;1-1-2;2-1-3;2-1-28;..11.)...28 |
5df20 | 3b 31 2d 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 31 2d 33 3b | ;1-1-2;1-1-28;2-1-1;2-1-2;2-1-3; |
5df40 | 32 2d 31 2d 39 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 | 2-1-9;..12./...28;1-1-1;1-1-2;1- |
5df60 | 31 2d 32 38 3b 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 | 1-28;2-3-1;2-1-2;2-1-3;2-1-9;..1 |
5df80 | 33 00 1d 00 00 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 | 3.....1;1-3-1;1-1-28;2-1-2;2-1-2 |
5dfa0 | 38 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 2d 31 2d 32 38 3b | 8;..14.....1;1-1-1;2-2-1;2-1-28; |
5dfc0 | 00 02 31 35 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 32 2d | ..15.)...2;1-1-3;1-1-9;1-1-28;2- |
5dfe0 | 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 32 38 3b 00 02 31 36 00 22 00 00 00 33 3b 31 2d 31 2d | 1-1;2-2-3;2-1-28;..16."...3;1-1- |
5e000 | 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 31 37 00 | 2;1-2-3;2-2-3;2-1-9;2-1-28;..17. |
5e020 | 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 33 3b 00 02 | ....3;1-2-3;2-1-1;2-1-2;2-2-3;.. |
5e040 | 31 38 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 31 39 00 | 18.....3;1-1-1;1-2-3;2-2-3;..19. |
5e060 | 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 00 00 04 64 61 74 61 | ....3;1-2-3;2-2-1;2-2-3;....data |
5e080 | 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba | set_ids......0.V..4+r.5o....1.V. |
5e0a0 | 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c | .:+r.5o....2.V..;+r.5o....3.V..< |
5e0c0 | 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 | +r.5o....4.V..=+r.5o....5.V..>+r |
5e0e0 | ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 | .5o....6.V..?+r.5o....7.V..@+r.5 |
5e100 | 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 | o....8.V..A+r.5o....9.V..B+r.5o. |
5e120 | 01 d1 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 | ...10.V..C+r.5o.....features./.. |
5e140 | 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 | ..56ba0c342b72ed356f000000...... |
5e160 | 30 00 a6 0f ba 31 c8 d8 f1 3f 00 00 02 73 6d 69 6c 65 73 00 32 00 00 00 43 4f 63 31 63 63 63 63 | 0....1...?...smiles.2...COc1cccc |
5e180 | 28 63 31 43 29 43 28 3d 4f 29 4e 4e 28 43 28 43 29 28 43 29 43 29 43 28 3d 4f 29 63 31 63 63 28 | (c1C)C(=O)NN(C(C)(C)C)C(=O)c1cc( |
5e1a0 | 43 29 63 63 28 63 31 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 65 ea bf c6 52 01 00 00 09 63 | C)cc(c1)C..updated_at.e...R....c |
5e1c0 | 72 65 61 74 65 64 5f 61 74 00 eb b6 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 | reated_at.....R....default_finge |
5e1e0 | 72 70 72 69 6e 74 5f 73 69 7a 65 00 14 00 00 00 02 69 6e 63 68 69 00 7a 00 00 00 49 6e 43 68 49 | rprint_size......inchi.z...InChI |
5e200 | 3d 31 53 2f 43 32 32 48 32 38 4e 32 4f 33 2f 63 31 2d 31 34 2d 31 31 2d 31 35 28 32 29 31 33 2d | =1S/C22H28N2O3/c1-14-11-15(2)13- |
5e220 | 31 37 28 31 32 2d 31 34 29 32 31 28 32 36 29 32 34 28 32 32 28 34 2c 35 29 36 29 32 33 2d 32 30 | 17(12-14)21(26)24(22(4,5)6)23-20 |
5e240 | 28 32 35 29 31 38 2d 39 2d 38 2d 31 30 2d 31 39 28 32 37 2d 37 29 31 36 28 31 38 29 33 2f 68 38 | (25)18-9-8-10-19(27-7)16(18)3/h8 |
5e260 | 2d 31 33 48 2c 31 2d 37 48 33 2c 28 48 2c 32 33 2c 32 35 29 00 00 db 05 00 00 07 5f 69 64 00 56 | -13H,1-7H3,(H,23,25)......._id.V |
5e280 | ba 0c 37 2b 72 ed 35 6f 00 01 93 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..7+r.5o....warnings.......finge |
5e2a0 | 72 70 72 69 6e 74 73 00 90 03 00 00 04 4d 50 32 44 00 85 03 00 00 02 30 00 10 00 00 00 39 3b 31 | rprints......MP2D......0.....9;1 |
5e2c0 | 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- |
5e2e0 | 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; |
5e300 | 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 |
5e320 | 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. |
5e340 | 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.).. |
5e360 | 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 |
5e380 | 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; |
5e3a0 | 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 |
5e3c0 | 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; |
5e3e0 | 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 23 00 00 00 32 | ..9.....3;1-2-3;2-2-3;..10.#...2 |
5e400 | 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 |
5e420 | 3b 00 02 31 31 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 | ;..11.....3;1-2-3;1-1-28;2-1-2;2 |
5e440 | 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- |
5e460 | 32 38 3b 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 | 28;..13.....3;1-2-3;2-2-3;2-1-8; |
5e480 | 00 02 31 34 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 | ..14."...3;1-2-3;1-1-8;2-1-1;2-2 |
5e4a0 | 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | -3;2-1-15;..15.....3;1-2-3;1-1-1 |
5e4c0 | 35 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 36 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 5;2-2-3;2-1-8;..16.....3;1-2-3;2 |
5e4e0 | 2d 32 2d 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 | -2-3;2-1-15;2-1-28;..17.....15;1 |
5e500 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 38 00 22 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -1-3;2-2-3;..18."...8;1-1-1;1-1- |
5e520 | 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 31 39 00 29 00 00 00 31 3b | 3;2-1-1;2-2-3;2-2-16;..19.)...1; |
5e540 | 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 32 2d 31 36 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 | 1-1-1;1-1-8;1-2-16;2-1-3;2-1-8;2 |
5e560 | 2d 31 2d 31 36 3b 00 02 32 30 00 29 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 31 2d 31 | -1-16;..20.)...1;1-1-1;1-1-8;1-1 |
5e580 | 2d 31 36 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 36 3b 00 02 32 31 00 16 00 00 00 | -16;2-1-1;2-1-8;2-2-16;..21..... |
5e5a0 | 38 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 34 2d 31 36 3b 00 02 32 32 00 16 00 00 00 31 3b | 8;1-2-1;2-1-1;2-4-16;..22.....1; |
5e5c0 | 31 2d 31 2d 38 3b 31 2d 33 2d 31 36 3b 32 2d 31 2d 31 3b 00 02 32 33 00 17 00 00 00 31 36 3b 31 | 1-1-8;1-3-16;2-1-1;..23.....16;1 |
5e5e0 | 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d 31 36 3b 00 02 32 34 00 16 00 00 00 31 36 3b 31 2d | -1-1;2-1-8;2-2-16;..24.....16;1- |
5e600 | 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 35 00 1d 00 00 00 31 36 3b 31 2d 31 2d | 1-1;2-1-1;2-1-8;..25.....16;1-1- |
5e620 | 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 36 3b 00 00 00 04 64 61 74 61 73 65 74 | 1;2-1-1;2-1-8;2-1-16;....dataset |
5e640 | 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b | _ids......0.V..4+r.5o....1.V..:+ |
5e660 | 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed | r.5o....2.V..;+r.5o....3.V..<+r. |
5e680 | 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f | 5o....4.V..<+r.5o....5.V..>+r.5o |
5e6a0 | 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 | ....6.V..?+r.5o....7.V..@+r.5o.. |
5e6c0 | ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 | ..8.V..A+r.5o....9.V..B+r.5o.... |
5e6e0 | 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 | 10.V..C+r.5o.....features./....5 |
5e700 | 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 e9 | 6ba0c342b72ed356f000000......0.. |
5e720 | f5 28 a5 75 b4 b2 3f 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 | .(.u..?...smiles.<...O=C(NC(=O)c |
5e740 | 31 63 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 | 1c(F)cccc1F)Nc1ccc(c(c1)Cl)OC(C( |
5e760 | 4f 43 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 46 e9 bf | OC(F)(F)F)F)(F)F..updated_at.F.. |
5e780 | c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f2 b6 bf c6 52 01 00 00 10 64 65 66 61 75 6c | .R....created_at.....R....defaul |
5e7a0 | 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 1a 00 00 00 02 69 6e 63 68 69 00 8e 00 | t_fingerprint_size......inchi... |
5e7c0 | 00 00 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 | ..InChI=1S/C17H9ClF8N2O4/c18-8-6 |
5e7e0 | 2d 37 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 | -7(4-5-11(8)31-16(22,23)14(21)32 |
5e800 | 2d 31 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 | -17(24,25)26)27-15(30)28-13(29)1 |
5e820 | 32 2d 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 | 2-9(19)2-1-3-10(12)20/h1-6,14H,( |
5e840 | 48 32 2c 32 37 2c 32 38 2c 32 39 2c 33 30 29 00 00 17 04 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 | H2,27,28,29,30)......._id.V..7+r |
5e860 | ed 35 6f 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 70 72 69 6e | .5o....warnings.......fingerprin |
5e880 | 74 73 00 15 02 00 00 04 4d 50 32 44 00 0a 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b | ts......MP2D......0.....1;1-1-3; |
5e8a0 | 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 33 3b 32 2d 32 2d | 2-2-3;..1.....3;1-1-1;1-2-3;2-2- |
5e8c0 | 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 2d 33 3b 00 02 | 3;..2.....3;1-2-3;2-1-1;2-2-3;.. |
5e8e0 | 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 24 | 3.....3;1-2-3;2-2-3;2-1-19;..4.$ |
5e900 | 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 30 3b 32 | ...3;1-2-3;1-1-19;2-2-3;2-1-10;2 |
5e920 | 2d 31 2d 33 30 3b 00 02 35 00 30 00 00 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 30 3b 31 2d | -1-30;..5.0...19;1-1-3;1-1-10;1- |
5e940 | 31 2d 33 30 3b 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 36 | 1-30;2-1-1;2-2-3;2-1-5;2-2-9;..6 |
5e960 | 00 2a 00 00 00 33 30 3b 31 2d 31 2d 35 3b 31 2d 32 2d 39 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 | .*...30;1-1-5;1-2-9;1-1-19;2-2-1 |
5e980 | 3b 32 2d 31 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 37 00 1d 00 00 00 39 3b 31 2d 31 2d 33 30 3b 32 | ;2-1-3;2-1-10;..7.....9;1-1-30;2 |
5e9a0 | 2d 31 2d 35 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 38 00 1d 00 00 00 35 3b 31 2d 32 2d | -1-5;2-1-9;2-1-19;..8.....5;1-2- |
5e9c0 | 31 3b 31 2d 31 2d 33 30 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 39 3b 00 02 39 00 16 00 00 00 31 3b | 1;1-1-30;2-2-9;2-1-19;..9.....1; |
5e9e0 | 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 30 3b 00 02 31 30 00 2c 00 00 00 31 30 3b 31 | 1-1-5;2-1-1;2-1-30;..10.,...10;1 |
5ea00 | 2d 31 2d 31 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 | -1-1;1-1-19;2-1-3;2-2-15;2-1-16; |
5ea20 | 32 2d 31 2d 33 30 3b 00 02 31 31 00 1f 00 00 00 31 3b 31 2d 31 2d 31 30 3b 31 2d 32 2d 31 35 3b | 2-1-30;..11.....1;1-1-10;1-2-15; |
5ea40 | 31 2d 31 2d 31 36 3b 32 2d 31 2d 31 39 3b 00 02 31 32 00 1f 00 00 00 31 35 3b 31 2d 31 2d 31 3b | 1-1-16;2-1-19;..12.....15;1-1-1; |
5ea60 | 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 35 3b 32 2d 31 2d 31 36 3b 00 02 31 33 00 18 00 00 00 31 36 | 2-1-10;2-1-15;2-1-16;..13.....16 |
5ea80 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 32 2d 32 2d 31 35 3b 00 00 00 04 64 61 74 61 73 65 74 | ;1-1-1;2-1-10;2-2-15;....dataset |
5eaa0 | 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b | _ids......0.V..4+r.5o....1.V..:+ |
5eac0 | 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed | r.5o....2.V..;+r.5o....3.V..<+r. |
5eae0 | 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f | 5o....4.V..=+r.5o....5.V..>+r.5o |
5eb00 | 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 | ....6.V..?+r.5o....7.V..@+r.5o.. |
5eb20 | ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 | ..8.V..A+r.5o....9.V..B+r.5o.... |
5eb40 | 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 | 10.V..C+r.5o.....features./....5 |
5eb60 | 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 71 | 6ba0c342b72ed356f000000......0.q |
5eb80 | 9e 0b 73 18 8a aa 3f 00 00 02 73 6d 69 6c 65 73 00 28 00 00 00 43 63 31 63 63 63 28 63 63 31 29 | ..s...?...smiles.(...Cc1ccc(cc1) |
5eba0 | 4e 28 53 28 3d 4f 29 28 3d 4f 29 4e 28 43 29 43 29 53 43 28 43 6c 29 28 43 6c 29 46 00 09 75 70 | N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F..up |
5ebc0 | 64 61 74 65 64 5f 61 74 00 8f e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 f8 b6 bf | dated_at.....R....created_at.... |
5ebe0 | c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0e | .R....default_fingerprint_size.. |
5ec00 | 00 00 00 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 33 43 6c 32 | ....inchi.Y...InChI=1S/C10H13Cl2 |
5ec20 | 46 4e 32 4f 32 53 32 2f 63 31 2d 38 2d 34 2d 36 2d 39 28 37 2d 35 2d 38 29 31 35 28 31 38 2d 31 | FN2O2S2/c1-8-4-6-9(7-5-8)15(18-1 |
5ec40 | 30 28 31 31 2c 31 32 29 31 33 29 31 39 28 31 36 2c 31 37 29 31 34 28 32 29 33 2f 68 34 2d 37 48 | 0(11,12)13)19(16,17)14(2)3/h4-7H |
5ec60 | 2c 31 2d 33 48 33 00 00 dc 02 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 ed 35 6f 00 01 95 04 77 61 | ,1-3H3......._id.V..7+r.5o....wa |
5ec80 | 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 02 01 00 00 04 4d | rnings.......fingerprints......M |
5eca0 | 50 32 44 00 f7 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 | P2D......0.....8;1-1-3;2-2-3;..1 |
5ecc0 | 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 00 00 | .....3;1-2-3;1-1-8;2-2-3;..2.... |
5ece0 | 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 1b 00 00 00 33 3b 31 | .3;1-2-3;2-2-3;2-1-8;..3.....3;1 |
5ed00 | 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 21 00 00 00 33 | -2-3;1-1-8;2-1-1;2-2-3;..4.!...3 |
5ed20 | 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 | ;1-1-1;1-2-3;2-3-1;2-2-3;2-1-8;. |
5ed40 | 02 35 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 | .5.....3;1-2-3;2-1-1;2-2-3;2-1-8 |
5ed60 | 3b 00 02 36 00 15 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 37 | ;..6.....1;1-3-1;1-1-3;2-2-3;..7 |
5ed80 | 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 04 64 61 74 | .....1;1-1-1;2-2-1;2-1-3;....dat |
5eda0 | 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 | aset_ids......0.V..4+r.5o....1.V |
5edc0 | ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c | ..:+r.5o....2.V..;+r.5o....3.V.. |
5ede0 | 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3e 2b | <+r.5o....4.V..<+r.5o....5.V..>+ |
5ee00 | 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed | r.5o....6.V..?+r.5o....7.V..@+r. |
5ee20 | 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f | 5o....8.V..A+r.5o....9.V..B+r.5o |
5ee40 | 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 | ....10.V..C+r.5o.....features./. |
5ee60 | 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 | ...56ba0c342b72ed356f000000..... |
5ee80 | 01 30 00 5a 86 89 80 8f a8 f5 3f 00 00 02 73 6d 69 6c 65 73 00 17 00 00 00 4f 63 31 63 63 63 28 | .0.Z......?...smiles.....Oc1ccc( |
5eea0 | 63 28 63 31 29 43 28 43 29 28 43 29 43 29 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 38 e9 bf c6 | c(c1)C(C)(C)C)O..updated_at.8... |
5eec0 | 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 fe b6 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 | R....created_at.....R....default |
5eee0 | 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 08 00 00 00 02 69 6e 63 68 69 00 42 00 00 | _fingerprint_size......inchi.B.. |
5ef00 | 00 49 6e 43 68 49 3d 31 53 2f 43 31 30 48 31 34 4f 32 2f 63 31 2d 31 30 28 32 2c 33 29 38 2d 36 | .InChI=1S/C10H14O2/c1-10(2,3)8-6 |
5ef20 | 2d 37 28 31 31 29 34 2d 35 2d 39 28 38 29 31 32 2f 68 34 2d 36 2c 31 31 2d 31 32 48 2c 31 2d 33 | -7(11)4-5-9(8)12/h4-6,11-12H,1-3 |
5ef40 | 48 33 00 00 4c 05 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 ed 35 6f 00 01 96 04 77 61 72 6e 69 6e | H3..L...._id.V..7+r.5o....warnin |
5ef60 | 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 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
5ef80 | 12 03 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 15 00 00 | .....0.....1;1-1-9;2-1-6;..1.... |
5efa0 | 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 21 00 00 00 36 3b 31 | .9;1-1-1;1-1-6;2-1-2;..2.!...6;1 |
5efc0 | 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 33 3b 00 02 33 | -1-2;1-1-9;2-1-1;2-1-2;2-1-3;..3 |
5efe0 | 00 27 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 32 2d 33 3b 32 | .'...2;1-1-2;1-1-3;1-1-6;2-2-3;2 |
5f000 | 2d 31 2d 38 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 | -1-8;2-2-9;..4.'...3;1-1-2;1-2-3 |
5f020 | 3b 32 2d 31 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 | ;2-1-1;2-1-2;2-2-3;2-1-6;..5.... |
5f040 | 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 31 | .3;1-2-3;2-1-2;2-2-3;..6.....3;1 |
5f060 | 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 2d 31 2d 31 | -2-3;2-2-3;..7.....3;1-2-3;2-1-1 |
5f080 | 3b 32 2d 32 2d 33 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 | ;2-2-3;..8.!...3;1-1-1;1-2-3;2-1 |
5f0a0 | 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 39 00 1b 00 00 00 31 3b 31 2d 31 2d 33 3b 31 | -2;2-2-3;2-1-9;..9.....1;1-1-3;1 |
5f0c0 | 2d 31 2d 39 3b 32 2d 32 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 30 00 1b 00 00 00 39 3b 31 2d 31 2d | -1-9;2-2-3;2-1-6;..10.....9;1-1- |
5f0e0 | 31 3b 31 2d 31 2d 36 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 31 00 1b 00 00 00 36 3b 31 | 1;1-1-6;2-1-2;2-1-3;..11.....6;1 |
5f100 | 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 32 00 21 00 00 00 | -1-2;1-1-9;2-2-1;2-1-3;..12.!... |
5f120 | 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 31 2d 39 3b | 2;1-1-1;1-1-3;1-1-6;2-2-3;2-1-9; |
5f140 | 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 31 2d 31 3b 32 2d 32 | ..13.!...3;1-1-2;1-2-3;2-1-1;2-2 |
5f160 | 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 34 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b | -3;2-1-6;..14.....3;1-1-1;1-2-3; |
5f180 | 32 2d 32 2d 33 3b 32 2d 33 2d 31 36 3b 00 02 31 35 00 1b 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d | 2-2-3;2-3-16;..15.....3;1-2-3;2- |
5f1a0 | 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 36 00 16 00 00 00 31 3b 31 2d 31 2d 33 | 1-1;2-1-2;2-2-3;..16.....1;1-1-3 |
5f1c0 | 3b 31 2d 33 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 31 37 00 17 00 00 00 31 36 3b 31 2d 31 2d 31 3b | ;1-3-16;2-2-3;..17.....16;1-1-1; |
5f1e0 | 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 31 38 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d | 2-1-3;2-2-16;..18.....1;1-1-2;2- |
5f200 | 31 2d 33 3b 32 2d 31 2d 36 3b 00 02 31 39 00 27 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 | 1-3;2-1-6;..19.'...2;1-1-2;1-1-8 |
5f220 | 3b 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 36 3b 00 02 32 30 00 15 00 | ;1-1-9;2-1-1;2-1-3;2-1-6;..20... |
5f240 | 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 31 00 1b 00 00 00 38 | ..9;1-1-2;2-1-2;2-1-8;..21.....8 |
5f260 | 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 32 00 0f 00 | ;1-1-1;1-1-2;2-1-2;2-1-9;..22... |
5f280 | 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 | ..1;1-1-8;2-1-2;....dataset_ids. |
5f2a0 | ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 | .....0.V..4+r.5o....1.V..:+r.5o. |
5f2c0 | 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 | ...2.V..;+r.5o....3.V..;+r.5o... |
5f2e0 | 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 | .4.V..=+r.5o....5.V..>+r.5o....6 |
5f300 | 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 | .V..?+r.5o....7.V..@+r.5o....8.V |
5f320 | ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba | ..A+r.5o....9.V..B+r.5o....10.V. |
5f340 | 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 | .C+r.5o.....features./....56ba0c |
5f360 | 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 a7 18 84 e2 71 ce | 342b72ed356f000000......0.....q. |
5f380 | c2 3f 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 43 4f | .?...smiles.1...CON=C(c1ccccc1CO |
5f3a0 | 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 4f 43 | N=C(c1cccc(c1)C(F)(F)F)C)C(=O)OC |
5f3c0 | 00 09 75 70 64 61 74 65 64 5f 61 74 00 09 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 | ..updated_at.....R....created_at |
5f3e0 | 00 05 b7 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 | .....R....default_fingerprint_si |
5f400 | 7a 65 00 17 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 48 31 | ze......inchi.}...InChI=1S/C20H1 |
5f420 | 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 34 29 | 9F3N2O4/c1-13(14-8-6-9-16(11-14) |
5f440 | 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 31 30 | 20(21,22)23)24-29-12-15-7-4-5-10 |
5f460 | 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 34 2d | -17(15)18(25-28-3)19(26)27-2/h4- |
5f480 | 31 31 48 2c 31 32 48 32 2c 31 2d 33 48 33 00 00 64 05 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 ed | 11H,12H2,1-3H3..d...._id.V..7+r. |
5f4a0 | 35 6f 00 01 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 | 5o....warnings.......fingerprint |
5f4c0 | 73 00 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 | s.=....MP2D.2....0.....1;1-1-8;2 |
5f4e0 | 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 |
5f500 | 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 31 2d | ;2-1-28;..2.(...2;1-1-8;1-1-9;1- |
5f520 | 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 00 39 | 1-28;2-1-1;2-1-3;2-1-8;..3.....9 |
5f540 | 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 3b 31 | ;1-1-2;2-1-8;2-1-28;..4.....28;1 |
5f560 | 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 2d 31 | -1-2;1-1-3;1-1-8;2-1-1;2-2-3;2-1 |
5f580 | 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 38 3b | -8;2-1-9;..5.(...3;1-2-3;1-1-28; |
5f5a0 | 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 00 00 | 2-1-1;2-1-2;2-2-3;2-1-8;..6..... |
5f5c0 | 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 3b 31 | 3;1-2-3;2-2-3;2-1-28;..7.....3;1 |
5f5e0 | 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 31 | -2-3;2-2-3;..8.....3;1-2-3;2-1-1 |
5f600 | 3b 32 2d 32 2d 33 3b 00 02 39 00 22 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 32 | ;2-2-3;..9."...3;1-1-1;1-2-3;2-2 |
5f620 | 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 15 00 00 00 31 3b 31 2d 31 2d 33 | -3;2-1-8;2-1-28;..10.....1;1-1-3 |
5f640 | 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 3b 00 02 31 31 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d | ;1-1-8;2-3-3;..11.....8;1-1-1;1- |
5f660 | 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 32 00 29 00 00 00 33 3b 31 2d 31 2d | 1-3;2-2-3;2-1-11;..12.)...3;1-1- |
5f680 | 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 33 3b 32 2d 31 2d 31 | 3;1-1-8;1-1-11;2-1-1;2-1-3;2-1-1 |
5f6a0 | 31 3b 00 02 31 33 00 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 | 1;..13.....3;1-2-3;2-1-8;2-2-11; |
5f6c0 | 00 02 31 34 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 | ..14.....3;1-1-3;1-1-11;2-2-3;2- |
5f6e0 | 31 2d 31 31 3b 00 02 31 35 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d | 1-11;..15.....11;1-2-3;1-1-11;2- |
5f700 | 34 2d 33 3b 00 02 31 36 00 1d 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 | 4-3;..16.....11;1-1-3;1-1-11;2-3 |
5f720 | 2d 33 3b 32 2d 31 2d 38 3b 00 02 31 37 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 | -3;2-1-8;..17.....3;1-2-3;1-1-11 |
5f740 | 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 31 38 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | ;2-3-3;2-1-11;..18.....3;1-2-3;2 |
5f760 | 2d 32 2d 33 3b 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 | -2-3;2-1-11;..19.....3;1-2-3;2-2 |
5f780 | 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 31 | -3;2-1-15;..20.....3;1-2-3;1-1-1 |
5f7a0 | 35 3b 32 2d 32 2d 33 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 | 5;2-2-3;..21.....15;1-1-3;2-2-3; |
5f7c0 | 00 02 32 32 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d | ..22.....8;1-1-1;1-1-28;2-1-2;2- |
5f7e0 | 31 2d 33 3b 00 02 32 33 00 10 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 00 00 04 | 1-3;..23.....1;1-1-8;2-1-28;.... |
5f800 | 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 | dataset_ids......0.V..4+r.5o.... |
5f820 | 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 | 1.V..:+r.5o....2.V..;+r.5o....3. |
5f840 | 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba | V..;+r.5o....4.V..=+r.5o....5.V. |
5f860 | 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 | .>+r.5o....6.V..?+r.5o....7.V..@ |
5f880 | 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 | +r.5o....8.V..A+r.5o....9.V..B+r |
5f8a0 | ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 | .5o....10.V..C+r.5o.....features |
5f8c0 | 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 | ./....56ba0c342b72ed356f000000.. |
5f8e0 | 00 00 00 01 30 00 c2 f9 7f c4 87 c3 97 3f 00 00 02 73 6d 69 6c 65 73 00 2c 00 00 00 43 4f 43 28 | ....0........?...smiles.,...COC( |
5f900 | 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 63 28 63 63 | =O)N(c1ccccc1COc1ccn(n1)c1ccc(cc |
5f920 | 31 29 43 6c 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 f4 e8 bf c6 52 01 00 00 09 63 72 65 | 1)Cl)OC..updated_at.....R....cre |
5f940 | 61 74 65 64 5f 61 74 00 0d b7 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at.....R....default_fingerp |
5f960 | 72 69 6e 74 5f 73 69 7a 65 00 18 00 00 00 02 69 6e 63 68 69 00 7a 00 00 00 49 6e 43 68 49 3d 31 | rint_size......inchi.z...InChI=1 |
5f980 | 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 33 28 32 36 | S/C19H18ClN3O4/c1-25-19(24)23(26 |
5f9a0 | 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 2d 31 31 2d | -2)17-6-4-3-5-14(17)13-27-18-11- |
5f9c0 | 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 30 2d 31 36 | 12-22(21-18)16-9-7-15(20)8-10-16 |
5f9e0 | 2f 68 33 2d 31 32 48 2c 31 33 48 32 2c 31 2d 32 48 33 00 00 3a 04 00 00 07 5f 69 64 00 56 ba 0c | /h3-12H,13H2,1-2H3..:...._id.V.. |
5fa00 | 37 2b 72 ed 35 6f 00 01 98 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.5o....warnings.......fingerp |
5fa20 | 72 69 6e 74 73 00 2d 02 00 00 04 4d 50 32 44 00 22 02 00 00 02 30 00 16 00 00 00 31 3b 31 2d 31 | rints.-....MP2D."....0.....1;1-1 |
5fa40 | 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 32 2d 31 3b | -1;2-1-1;2-1-28;..1.....1;1-2-1; |
5fa60 | 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 31 3b 31 2d | 1-1-28;2-2-2;..2.0...28;1-1-1;1- |
5fa80 | 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 3b 32 2d 31 | 2-2;2-2-1;2-1-6;2-1-9;2-1-10;2-1 |
5faa0 | 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 2d 31 2d 32 | -28;..3.#...2;1-1-6;1-1-10;1-1-2 |
5fac0 | 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 31 3b 31 2d | 8;2-3-1;2-1-2;..4.#...6;1-1-1;1- |
5fae0 | 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 15 00 00 00 | 1-2;2-3-1;2-1-10;2-1-28;..5..... |
5fb00 | 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 31 3b 31 2d | 1;1-3-1;1-1-6;2-1-2;..6.....1;1- |
5fb20 | 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 36 3b 00 02 37 00 1d 00 00 00 31 30 3b 31 2d 31 2d 31 | 1-1;2-2-1;2-1-6;..7.....10;1-1-1 |
5fb40 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 36 3b 32 2d 32 2d 32 38 3b 00 02 38 00 1d 00 00 00 31 3b 31 2d | ;1-1-2;2-1-6;2-2-28;..8.....1;1- |
5fb60 | 31 2d 31 30 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 32 3b 32 2d 31 2d 33 3b 00 02 39 00 30 00 00 00 | 1-10;1-1-28;2-2-2;2-1-3;..9.0... |
5fb80 | 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 33 3b 32 2d 31 2d 39 | 28;1-1-1;1-1-2;1-1-3;2-2-3;2-1-9 |
5fba0 | 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 32 38 3b 00 02 31 30 00 22 00 00 00 32 3b 31 2d 31 2d 39 3b | ;2-1-10;2-1-28;..10."...2;1-1-9; |
5fbc0 | 31 2d 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 31 00 10 00 | 1-2-28;2-2-1;2-1-2;2-1-3;..11... |
5fbe0 | 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 32 2d 32 38 3b 00 02 31 32 00 22 00 00 00 33 3b 31 2d 32 2d | ..9;1-1-2;2-2-28;..12."...3;1-2- |
5fc00 | 33 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 00 02 31 33 00 | 3;1-1-28;2-1-1;2-1-2;2-2-3;..13. |
5fc20 | 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 34 00 0f 00 | ....3;1-2-3;2-2-3;2-1-28;..14... |
5fc40 | 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 | ..3;1-2-3;2-2-3;....dataset_ids. |
5fc60 | ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 | .....0.V..4+r.5o....1.V..:+r.5o. |
5fc80 | 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 | ...2.V..:+r.5o....3.V..<+r.5o... |
5fca0 | 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 | .4.V..=+r.5o....5.V..>+r.5o....6 |
5fcc0 | 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 | .V..?+r.5o....7.V..@+r.5o....8.V |
5fce0 | ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba | ..A+r.5o....9.V..B+r.5o....10.V. |
5fd00 | 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 | .C+r.5o.....features./....56ba0c |
5fd20 | 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 01 82 ee c9 d1 2a | 342b72ed356f000000......0......* |
5fd40 | 9d 3f 00 00 02 73 6d 69 6c 65 73 00 26 00 00 00 43 43 28 4e 31 43 28 3d 4e 43 28 43 29 28 43 29 | .?...smiles.&...CC(N1C(=NC(C)(C) |
5fd60 | 43 29 53 43 4e 28 43 31 3d 4f 29 63 31 63 63 63 63 63 31 29 43 00 09 75 70 64 61 74 65 64 5f 61 | C)SCN(C1=O)c1ccccc1)C..updated_a |
5fd80 | 74 00 cd e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 13 b7 bf c6 52 01 00 00 10 64 | t.....R....created_at.....R....d |
5fda0 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0f 00 00 00 02 69 6e 63 | efault_fingerprint_size......inc |
5fdc0 | 68 69 00 66 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 36 48 32 33 4e 33 4f 53 2f 63 31 2d 31 32 | hi.f...InChI=1S/C16H23N3OS/c1-12 |
5fde0 | 28 32 29 31 39 2d 31 34 28 31 37 2d 31 36 28 33 2c 34 29 35 29 32 31 2d 31 31 2d 31 38 28 31 35 | (2)19-14(17-16(3,4)5)21-11-18(15 |
5fe00 | 28 31 39 29 32 30 29 31 33 2d 39 2d 37 2d 36 2d 38 2d 31 30 2d 31 33 2f 68 36 2d 31 30 2c 31 32 | (19)20)13-9-7-6-8-10-13/h6-10,12 |
5fe20 | 48 2c 31 31 48 32 2c 31 2d 35 48 33 00 00 73 04 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 ed 35 6f | H,11H2,1-5H3..s...._id.V..7+r.5o |
5fe40 | 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 72 69 6e 74 73 00 | ....warnings.......fingerprints. |
5fe60 | 62 02 00 00 04 4d 50 32 44 00 57 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 | b....MP2D.W....0.....1;1-1-1;2-1 |
5fe80 | 2d 31 3b 00 02 31 00 0f 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 22 00 00 | -1;..1.....1;1-2-1;2-1-2;..2.".. |
5fea0 | 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 2d 31 2d 33 | .1;1-1-1;1-1-2;2-1-1;2-1-2;2-1-3 |
5fec0 | 31 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 2d 33 31 3b 32 | 1;..3.(...2;1-1-1;1-1-2;1-1-31;2 |
5fee0 | 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 38 3b 00 02 34 00 1c 00 00 00 32 3b 31 2d 33 2d 32 | -1-1;2-2-2;2-1-8;..4.....2;1-3-2 |
5ff00 | 3b 32 2d 33 2d 31 3b 32 2d 32 2d 39 3b 32 2d 31 2d 33 31 3b 00 02 35 00 21 00 00 00 32 3b 31 2d | ;2-3-1;2-2-9;2-1-31;..5.!...2;1- |
5ff20 | 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 32 3b 00 02 36 00 | 1-1;1-1-2;1-1-9;2-1-1;2-2-2;..6. |
5ff40 | 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 37 00 21 00 00 00 | ....9;1-1-2;2-1-1;2-1-2;..7.!... |
5ff60 | 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 32 2d 31 2d 39 3b | 1;1-1-1;1-1-2;2-2-1;2-1-2;2-1-9; |
5ff80 | 00 02 38 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 00 02 39 00 | ..8.....1;1-3-1;2-2-1;2-2-2;..9. |
5ffa0 | 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 02 31 30 00 0f 00 | ....1;1-3-1;2-3-1;2-1-10;..10... |
5ffc0 | 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 31 00 16 00 00 00 31 3b 31 2d 32 2d 31 | ..1;1-2-1;2-3-1;..11.....1;1-2-1 |
5ffe0 | 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 31 32 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 | ;2-1-1;2-1-10;..12.....1;1-1-1;1 |
60000 | 2d 31 2d 31 30 3b 32 2d 32 2d 31 3b 00 02 31 33 00 10 00 00 00 31 30 3b 31 2d 32 2d 31 3b 32 2d | -1-10;2-2-1;..13.....10;1-2-1;2- |
60020 | 32 2d 31 3b 00 02 31 34 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 33 2d | 2-1;..14.....1;1-1-1;1-1-10;2-3- |
60040 | 31 3b 00 02 31 35 00 1c 00 00 00 33 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b | 1;..15.....31;1-1-2;1-1-8;2-2-1; |
60060 | 32 2d 31 2d 32 3b 00 02 31 36 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 31 3b 32 2d | 2-1-2;..16.....8;1-1-1;1-1-31;2- |
60080 | 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 37 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 38 | 1-1;2-1-2;..17.....1;1-1-1;1-1-8 |
600a0 | 3b 32 2d 31 2d 33 31 3b 00 02 31 38 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 | ;2-1-31;..18.....1;1-1-1;2-1-8;. |
600c0 | 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 | ...dataset_ids......0.V..4+r.5o. |
600e0 | 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 | ...1.V..:+r.5o....2.V..;+r.5o... |
60100 | 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 | .3.V..<+r.5o....4.V..=+r.5o....5 |
60120 | 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 | .V..>+r.5o....6.V..?+r.5o....7.V |
60140 | ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 39 00 56 ba 0c | ..@+r.5o....8.V..A+r.5o....9.V.. |
60160 | 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 | B+r.5o....10.V..C+r.5o.....featu |
60180 | 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 | res./....56ba0c342b72ed356f00000 |
601a0 | 30 00 10 00 00 00 01 30 00 c9 06 ce 57 17 06 b6 3f 00 00 02 73 6d 69 6c 65 73 00 24 00 00 00 43 | 0......0....W...?...smiles.$...C |
601c0 | 43 43 43 28 3d 43 31 43 28 3d 4f 29 43 43 28 43 43 31 3d 4f 29 43 31 43 43 43 53 43 31 29 4e 4f | CCC(=C1C(=O)CC(CC1=O)C1CCCSC1)NO |
601e0 | 43 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 0a ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f | CC..updated_at.....R....created_ |
60200 | 61 74 00 1d b7 bf c6 52 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.....R....default_fingerprint_ |
60220 | 73 69 7a 65 00 13 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 37 | size......inchi.l...InChI=1S/C17 |
60240 | 48 32 37 4e 4f 33 53 2f 63 31 2d 33 2d 36 2d 31 34 28 31 38 2d 32 31 2d 34 2d 32 29 31 37 2d 31 | H27NO3S/c1-3-6-14(18-21-4-2)17-1 |
60260 | 35 28 31 39 29 39 2d 31 33 28 31 30 2d 31 36 28 31 37 29 32 30 29 31 32 2d 37 2d 35 2d 38 2d 32 | 5(19)9-13(10-16(17)20)12-7-5-8-2 |
60280 | 32 2d 31 31 2d 31 32 2f 68 31 32 2d 31 33 2c 31 38 48 2c 33 2d 31 31 48 32 2c 31 2d 32 48 33 00 | 2-11-12/h12-13,18H,3-11H2,1-2H3. |
602a0 | 00 4f 03 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 ed 35 6f 00 01 9a 04 77 61 72 6e 69 6e 67 73 00 | .O...._id.V..7+r.5o....warnings. |
602c0 | 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 61 01 00 00 04 4d 50 32 44 00 56 01 00 | ......fingerprints.a....MP2D.V.. |
602e0 | 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 00 34 3b | ..0.....7;1-1-4;2-1-3;..1.....4; |
60300 | 31 2d 31 2d 33 3b 31 2d 31 2d 37 3b 32 2d 32 2d 33 3b 00 02 32 00 23 00 00 00 33 3b 31 2d 32 2d | 1-1-3;1-1-7;2-2-3;..2.#...3;1-2- |
60320 | 33 3b 31 2d 31 2d 34 3b 32 2d 31 2d 37 3b 32 2d 32 2d 31 31 3b 32 2d 32 2d 31 39 3b 00 02 33 00 | 3;1-1-4;2-1-7;2-2-11;2-2-19;..3. |
60340 | 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 32 2d 33 3b | #...3;1-1-3;1-1-11;1-1-19;2-2-3; |
60360 | 32 2d 31 2d 34 3b 00 02 34 00 17 00 00 00 31 39 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b 32 2d 31 | 2-1-4;..4.....19;1-1-3;2-1-3;2-1 |
60380 | 2d 31 31 3b 00 02 35 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;..5.....11;1-2-3;2-1-3;2-1-1 |
603a0 | 31 3b 32 2d 32 2d 31 39 3b 00 02 36 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 31 39 | 1;2-2-19;..6.....3;1-2-11;1-1-19 |
603c0 | 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 1d 00 00 00 31 39 3b 31 2d 31 2d 31 3b 31 2d | ;2-1-1;2-2-3;..7.....19;1-1-1;1- |
603e0 | 31 2d 33 3b 32 2d 32 2d 31 3b 32 2d 32 2d 31 31 3b 00 02 38 00 1c 00 00 00 31 3b 31 2d 32 2d 31 | 1-3;2-2-1;2-2-11;..8.....1;1-2-1 |
60400 | 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 39 00 16 00 00 00 31 3b 31 2d | ;1-1-19;2-2-1;2-1-3;..9.....1;1- |
60420 | 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 39 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 | 2-1;2-2-1;2-1-19;....dataset_ids |
60440 | 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f | ......0.V..4+r.5o....1.V..:+r.5o |
60460 | 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 | ....2.V..:+r.5o....3.V..<+r.5o.. |
60480 | c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 | ..4.V..=+r.5o....5.V..>+r.5o.... |
604a0 | 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 | 6.V..?+r.5o....7.V..@+r.5o....8. |
604c0 | 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 | V..A+r.5o....9.V..B+r.5o....10.V |
604e0 | ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 | ..C+r.5o.....features./....56ba0 |
60500 | 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 6f b6 2b 3d 31 | c342b72ed356f000000......0.o.+=1 |
60520 | 9c bd 3f 00 00 02 73 6d 69 6c 65 73 00 18 00 00 00 4e 23 43 63 31 63 28 4e 29 6e 63 28 6e 63 31 | ..?...smiles.....N#Cc1c(N)nc(nc1 |
60540 | 4e 29 4e 43 31 43 43 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 7d e8 bf c6 52 01 00 00 09 63 72 | N)NC1CC1..updated_at.}...R....cr |
60560 | 65 61 74 65 64 5f 61 74 00 23 b7 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at.#...R....default_finger |
60580 | 70 72 69 6e 74 5f 73 69 7a 65 00 0a 00 00 00 02 69 6e 63 68 69 00 55 00 00 00 49 6e 43 68 49 3d | print_size......inchi.U...InChI= |
605a0 | 31 53 2f 43 38 48 31 30 4e 36 2f 63 39 2d 33 2d 35 2d 36 28 31 30 29 31 33 2d 38 28 31 34 2d 37 | 1S/C8H10N6/c9-3-5-6(10)13-8(14-7 |
605c0 | 28 35 29 31 31 29 31 32 2d 34 2d 31 2d 32 2d 34 2f 68 34 48 2c 31 2d 32 48 32 2c 28 48 35 2c 31 | (5)11)12-4-1-2-4/h4H,1-2H2,(H5,1 |
605e0 | 30 2c 31 31 2c 31 32 2c 31 33 2c 31 34 29 00 00 12 04 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 ed | 0,11,12,13,14)......._id.V..7+r. |
60600 | 35 6f 00 01 9b 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 | 5o....warnings.......fingerprint |
60620 | 73 00 20 02 00 00 04 4d 50 32 44 00 15 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 |
60640 | 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 33 | -1-8;..1.....1;1-1-1;1-1-8;2-1-3 |
60660 | 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 3b 32 2d 32 | ;..2.....8;1-1-1;1-1-3;2-1-1;2-2 |
60680 | 2d 33 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 31 2d 31 3b 32 | -3;..3.....3;1-2-3;1-1-8;2-1-1;2 |
606a0 | 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 31 2d 38 | -2-3;..4.....3;1-2-3;2-2-3;2-1-8 |
606c0 | 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 02 | ;..5.....3;1-2-3;2-2-3;2-1-19;.. |
606e0 | 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 32 2d 31 2d 32 | 6."...3;1-2-3;1-1-19;2-1-1;2-1-2 |
60700 | 3b 32 2d 32 2d 33 3b 00 02 37 00 28 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 | ;2-2-3;..7.(...3;1-1-2;1-2-3;2-1 |
60720 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 38 00 1b 00 00 00 33 3b | -1;2-1-2;2-2-3;2-1-19;..8.....3; |
60740 | 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 39 00 21 00 00 00 | 1-2-3;2-1-2;2-2-3;2-1-8;..9.!... |
60760 | 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 3b 32 2d 32 2d 33 3b | 2;1-1-1;1-1-2;1-1-3;2-1-1;2-2-3; |
60780 | 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 33 2d 31 3b 32 2d 31 | ..10."...2;1-1-1;1-1-2;2-3-1;2-1 |
607a0 | 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 22 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 | -3;2-1-19;..11."...1;1-2-1;1-1-2 |
607c0 | 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 33 3b 00 02 31 32 00 22 00 00 00 31 39 3b | ;1-1-19;2-1-2;2-1-3;..12."...19; |
607e0 | 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 33 3b 00 02 | 1-1-1;1-1-3;2-2-1;2-1-2;2-2-3;.. |
60800 | 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 32 3b 32 2d 31 2d 31 | 13.....1;1-1-1;2-1-1;2-1-2;2-1-1 |
60820 | 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 32 2d 31 2d 33 3b 00 | 9;..14.....1;1-1-2;2-1-2;2-1-3;. |
60840 | 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 | ...dataset_ids......0.V..4+r.5o. |
60860 | 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 | ...1.V..:+r.5o....2.V..;+r.5o... |
60880 | 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 | .3.V..<+r.5o....4.V..=+r.5o....5 |
608a0 | 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c9 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 | .V..=+r.5o....6.V..?+r.5o....7.V |
608c0 | ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c | ..@+r.5o....8.V..A+r.5o....9.V.. |
608e0 | 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 | B+r.5o....10.V..C+r.5o.....featu |
60900 | 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 | res./....56ba0c342b72ed356f00000 |
60920 | 30 00 10 00 00 00 01 30 00 3e 4f a6 41 fd 45 ac 3f 00 00 02 73 6d 69 6c 65 73 00 1e 00 00 00 43 | 0......0.>O.A.E.?...smiles.....C |
60940 | 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 43 00 09 75 70 | COc1ccc2c(c1)C(=CC(N2)(C)C)C..up |
60960 | 64 61 74 65 64 5f 61 74 00 6e e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 31 b7 bf | dated_at.n...R....created_at.1.. |
60980 | c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0f | .R....default_fingerprint_size.. |
609a0 | 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 31 39 4e 4f 2f | ....inchi.S...InChI=1S/C14H19NO/ |
609c0 | 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 30 28 32 29 39 | c1-5-16-11-6-7-13-12(8-11)10(2)9 |
609e0 | 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 31 2d 34 48 33 | -14(3,4)15-13/h6-9,15H,5H2,1-4H3 |
60a00 | 00 00 bd 03 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 ed 35 6f 00 01 9c 04 77 61 72 6e 69 6e 67 73 | ......._id.V..7+r.5o....warnings |
60a20 | 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 a8 01 00 00 04 4d 50 32 44 00 9d 01 | .......fingerprints......MP2D... |
60a40 | 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 15 00 00 00 31 | ...0.....1;1-1-1;2-2-1;..1.....1 |
60a60 | 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 31 3b 31 2d 31 | ;1-3-1;2-1-3;2-1-5;..2.....1;1-1 |
60a80 | 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 00 00 33 3b 31 | -1;1-1-3;2-2-1;2-2-3;..3.....3;1 |
60aa0 | 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 00 00 33 | -1-1;1-2-3;2-1-1;2-2-3;..4.....3 |
60ac0 | 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 31 2d 31 | ;1-2-3;2-1-1;2-2-3;..5.....3;1-1 |
60ae0 | 2d 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 31 3b 32 2d 32 2d 33 3b 00 02 36 00 15 00 00 00 31 3b 31 | -1;1-2-3;2-3-1;2-2-3;..6.....1;1 |
60b00 | 2d 33 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 15 00 00 00 31 3b 31 2d 31 2d 31 | -3-1;1-1-3;2-2-3;..7.....1;1-1-1 |
60b20 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 38 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | ;2-2-1;2-1-3;..8.....1;1-1-1;1-1 |
60b40 | 2d 35 3b 32 2d 34 2d 31 3b 00 02 39 00 0f 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 33 2d 31 3b 00 | -5;2-4-1;..9.....5;1-3-1;2-3-1;. |
60b60 | 02 31 30 00 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 | .10.....1;1-1-1;1-1-5;2-3-1;2-1- |
60b80 | 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 31 2d 31 3b 32 | 8;..11.....1;1-2-1;1-1-8;2-1-1;2 |
60ba0 | 2d 31 2d 35 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 | -1-5;..12.....1;1-1-1;2-1-1;2-1- |
60bc0 | 38 3b 00 02 31 33 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 34 2d 31 3b 00 00 00 04 64 61 74 | 8;..13.....8;1-2-1;2-4-1;....dat |
60be0 | 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 | aset_ids......0.V..4+r.5o....1.V |
60c00 | ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c | ..9+r.5o....2.V..;+r.5o....3.V.. |
60c20 | 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b | <+r.5o....4.V..=+r.5o....5.V..>+ |
60c40 | 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed | r.5o....6.V..?+r.5o....7.V..@+r. |
60c60 | 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f | 5o....8.V..A+r.5o....9.V..B+r.5o |
60c80 | 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 | ....10.V..C+r.5o.....features./. |
60ca0 | 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 | ...56ba0c342b72ed356f000000..... |
60cc0 | 01 30 00 4a b6 08 ed c0 f1 76 3f 00 00 02 73 6d 69 6c 65 73 00 27 00 00 00 43 43 28 43 63 31 63 | .0.J.....v?...smiles.'...CC(Cc1c |
60ce0 | 63 63 28 63 63 31 29 43 28 43 29 28 43 29 43 29 43 4e 31 43 43 28 43 29 4f 43 28 43 31 29 43 00 | cc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C. |
60d00 | 09 75 70 64 61 74 65 64 5f 61 74 00 40 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at.@...R....created_at. |
60d20 | 3b b7 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | ;...R....default_fingerprint_siz |
60d40 | 65 00 0e 00 00 00 02 69 6e 63 68 69 00 6d 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 30 48 33 33 | e......inchi.m...InChI=1S/C20H33 |
60d60 | 4e 4f 2f 63 31 2d 31 35 28 31 32 2d 32 31 2d 31 33 2d 31 36 28 32 29 32 32 2d 31 37 28 33 29 31 | NO/c1-15(12-21-13-16(2)22-17(3)1 |
60d80 | 34 2d 32 31 29 31 31 2d 31 38 2d 37 2d 39 2d 31 39 28 31 30 2d 38 2d 31 38 29 32 30 28 34 2c 35 | 4-21)11-18-7-9-19(10-8-18)20(4,5 |
60da0 | 29 36 2f 68 37 2d 31 30 2c 31 35 2d 31 37 48 2c 31 31 2d 31 34 48 32 2c 31 2d 36 48 33 00 00 d9 | )6/h7-10,15-17H,11-14H2,1-6H3... |
60dc0 | 03 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 ed 35 6f 00 01 9d 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..7+r.5o....warnings... |
60de0 | 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 bc 01 00 00 02 | ....fingerprints......MP2D...... |
60e00 | 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 |
60e20 | 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- |
60e40 | 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 3b 32 | 3;2-2-3;2-1-16;..3.....3;1-2-3;2 |
60e60 | 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 31 2d | -2-3;2-1-27;..4.....3;1-2-3;1-1- |
60e80 | 32 37 3b 32 2d 32 2d 31 3b 32 2d 33 2d 33 3b 00 02 35 00 1d 00 00 00 32 37 3b 31 2d 32 2d 31 3b | 27;2-2-1;2-3-3;..5.....27;1-2-1; |
60ea0 | 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 36 00 24 00 00 00 31 3b 31 2d 31 | 1-2-3;2-4-3;2-1-11;..6.$...1;1-1 |
60ec0 | 2d 31 31 3b 31 2d 31 2d 32 37 3b 32 2d 31 2d 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 00 02 | -11;1-1-27;2-1-1;2-3-3;2-1-11;.. |
60ee0 | 37 00 2b 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 | 7.+...11;1-1-1;1-1-3;1-1-11;2-1- |
60f00 | 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 32 37 3b 00 02 38 00 1d 00 00 00 33 3b 31 2d 32 2d 31 31 | 3;2-1-11;2-1-27;..8.....3;1-2-11 |
60f20 | 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 |
60f40 | 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- |
60f60 | 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 |
60f80 | 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 16 00 00 00 | -11;2-1-1;2-1-3;2-1-11;..12..... |
60fa0 | 31 3b 31 2d 31 2d 32 37 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 | 1;1-1-27;2-1-1;2-2-3;....dataset |
60fc0 | 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b | _ids......0.V..4+r.5o....1.V..:+ |
60fe0 | 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed | r.5o....2.V..;+r.5o....3.V..<+r. |
61000 | 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f | 5o....4.V..=+r.5o....5.V..>+r.5o |
61020 | 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 | ....6.V..?+r.5o....7.V..@+r.5o.. |
61040 | cd 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 | ..8.V..A+r.5o....9.V..B+r.5o.... |
61060 | 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 | 10.V..C+r.5o.....features./....5 |
61080 | 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 ae | 6ba0c342b72ed356f000000......0.. |
610a0 | b6 29 ef 55 f9 79 3f 00 00 02 73 6d 69 6c 65 73 00 28 00 00 00 46 63 31 63 63 63 28 63 63 31 29 | .).U.y?...smiles.(...Fc1ccc(cc1) |
610c0 | 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 43 00 09 75 70 | [Si](c1ccc(cc1)F)(Cn1cncn1)C..up |
610e0 | 64 61 74 65 64 5f 61 74 00 f6 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 42 b7 bf | dated_at.....R....created_at.B.. |
61100 | c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0d | .R....default_fingerprint_size.. |
61120 | 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 31 35 46 32 4e | ....inchi.i...InChI=1S/C16H15F2N |
61140 | 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 2d 32 31 2c 31 | 3Si/c1-22(12-21-11-19-10-20-21,1 |
61160 | 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 34 28 31 38 29 | 5-6-2-13(17)3-7-15)16-8-4-14(18) |
61180 | 35 2d 39 2d 31 36 2f 68 32 2d 31 31 48 2c 31 32 48 32 2c 31 48 33 00 00 3b 04 00 00 07 5f 69 64 | 5-9-16/h2-11H,12H2,1H3..;...._id |
611a0 | 00 56 ba 0c 37 2b 72 ed 35 6f 00 01 9e 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..7+r.5o....warnings.......fin |
611c0 | 67 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 31 | gerprints......MP2D......0.....1 |
611e0 | 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 |
61200 | 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 |
61220 | 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 31 2d 38 | -1-1;2-2-3;..3.....3;1-2-3;1-1-8 |
61240 | 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 32 2d 32 | ;2-1-1;2-2-3;..4.....3;1-2-3;2-2 |
61260 | 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 31 2d 31 3b 32 | -3;2-1-8;..5.....3;1-2-3;2-1-1;2 |
61280 | 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 33 2d 31 | -2-3;..6.....3;1-1-1;1-2-3;2-3-1 |
612a0 | 3b 32 2d 32 2d 33 3b 00 02 37 00 1b 00 00 00 31 3b 31 2d 33 2d 31 3b 31 2d 31 2d 33 3b 32 2d 32 | ;2-2-3;..7.....1;1-3-1;1-1-3;2-2 |
612c0 | 2d 33 3b 32 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 | -3;2-1-8;..8.....1;1-1-1;1-1-8;2 |
612e0 | 2d 33 2d 31 3b 32 2d 31 2d 33 3b 00 02 39 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 | -3-1;2-1-3;..9.....8;1-2-1;2-1-1 |
61300 | 3b 32 2d 31 2d 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 | ;2-1-3;..10.....1;1-1-3;1-1-8;2- |
61320 | 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 31 00 1b 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 |
61340 | 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- |
61360 | 32 2d 33 3b 00 02 31 33 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 38 3b 32 2d 33 2d 33 | 2-3;..13.....3;1-2-3;1-1-8;2-3-3 |
61380 | 3b 00 02 31 34 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 | ;..14.....3;1-2-3;2-1-1;2-2-3;2- |
613a0 | 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 3b 00 02 31 36 00 | 1-8;..15.....8;1-2-3;2-4-3;..16. |
613c0 | 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 04 64 61 74 61 | ....1;1-1-1;2-2-1;2-1-3;....data |
613e0 | 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba | set_ids......0.V..4+r.5o....1.V. |
61400 | 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3c | .:+r.5o....2.V..:+r.5o....3.V..< |
61420 | 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 | +r.5o....4.V..=+r.5o....5.V..>+r |
61440 | ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 | .5o....6.V..?+r.5o....7.V..@+r.5 |
61460 | 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 | o....8.V..A+r.5o....9.V..B+r.5o. |
61480 | 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 | ...10.V..C+r.5o.....features./.. |
614a0 | 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 | ..56ba0c342b72ed356f000000...... |
614c0 | 30 00 05 45 07 d5 de ad b1 3f 00 00 02 73 6d 69 6c 65 73 00 2b 00 00 00 43 43 4f 63 31 63 63 63 | 0..E.....?...smiles.+...CCOc1ccc |
614e0 | 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 43 | (cc1)C(COCc1cccc(c1)Oc1ccccc1)(C |
61500 | 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 a8 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f | )C..updated_at.....R....created_ |
61520 | 61 74 00 5b b7 bf c6 52 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.[...R....default_fingerprint_ |
61540 | 73 69 7a 65 00 11 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 35 | size......inchi.~...InChI=1S/C25 |
61560 | 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 2d | H28O3/c1-4-27-22-15-13-21(14-16- |
61580 | 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 28 | 22)25(2,3)19-26-18-20-9-8-12-24( |
615a0 | 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 37 | 17-20)28-23-10-6-5-7-11-23/h5-17 |
615c0 | 48 2c 34 2c 31 38 2d 31 39 48 32 2c 31 2d 33 48 33 00 00 02 04 00 00 07 5f 69 64 00 56 ba 0c 37 | H,4,18-19H2,1-3H3......._id.V..7 |
615e0 | 2b 72 ed 35 6f 00 01 9f 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.5o....warnings.......fingerpr |
61600 | 69 6e 74 73 00 ef 01 00 00 04 4d 50 32 44 00 e4 01 00 00 02 30 00 15 00 00 00 31 3b 31 2d 31 2d | ints......MP2D......0.....1;1-1- |
61620 | 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 2d | 1;2-1-1;2-1-8;..1.....1;1-2-1;1- |
61640 | 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 3b | 1-8;2-1-3;2-1-8;..2."...8;1-1-1; |
61660 | 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 00 | 1-1-3;2-2-1;2-1-3;2-1-11;..3.".. |
61680 | 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- |
616a0 | 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 2d | 3;..4.....3;1-2-3;2-1-3;2-1-8;2- |
616c0 | 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 16 | 1-11;..5.....3;1-2-3;2-2-3;..6.. |
616e0 | 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 00 | ...3;1-2-3;2-1-3;2-1-11;..7..... |
61700 | 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 3b | 3;1-1-3;1-1-11;2-2-3;..8.....11; |
61720 | 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 2d | 1-2-3;2-2-3;2-1-8;..9.!...1;1-1- |
61740 | 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 1b | 1;1-1-8;2-1-1;2-1-3;2-1-8;..10.. |
61760 | 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 31 | ...8;1-1-1;1-1-3;2-1-1;2-2-3;..1 |
61780 | 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 3b | 1.....3;1-2-3;1-1-8;2-1-1;2-2-3; |
617a0 | 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 31 | ..12.....3;1-2-3;2-2-3;2-1-8;..1 |
617c0 | 33 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 34 00 0f | 3.....3;1-2-3;1-1-8;2-3-3;..14.. |
617e0 | 00 00 00 38 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 | ...8;1-2-3;2-4-3;....dataset_ids |
61800 | 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f | ......0.V..4+r.5o....1.V..:+r.5o |
61820 | 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 | ....2.V..;+r.5o....3.V..<+r.5o.. |
61840 | c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 | ..4.V..=+r.5o....5.V..>+r.5o.... |
61860 | 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 | 6.V..?+r.5o....7.V..@+r.5o....8. |
61880 | 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 | V..A+r.5o....9.V..B+r.5o....10.V |
618a0 | ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 | ..C+r.5o.....features./....56ba0 |
618c0 | 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 0a b5 2a ba 72 | c342b72ed356f000000......0...*.r |
618e0 | e1 db 3f 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 29 43 4f | ..?...smiles.#...CC(Oc1ccccn1)CO |
61900 | 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 61 74 00 | c1ccc(cc1)Oc1ccccc1..updated_at. |
61920 | 8c e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 66 b7 bf c6 52 01 00 00 10 64 65 66 | ....R....created_at.f...R....def |
61940 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0f 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
61960 | 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 28 32 33 | .o...InChI=1S/C20H19NO3/c1-16(23 |
61980 | 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 30 2d 31 | -20-9-5-6-14-21-20)15-22-17-10-1 |
619a0 | 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 2d 31 38 | 2-19(13-11-17)24-18-7-3-2-4-8-18 |
619c0 | 2f 68 32 2d 31 34 2c 31 36 48 2c 31 35 48 32 2c 31 48 33 00 00 9c 03 00 00 07 5f 69 64 00 56 ba | /h2-14,16H,15H2,1H3......._id.V. |
619e0 | 0c 37 2b 72 ed 35 6f 00 01 a0 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 | .7+r.5o....warnings.......finger |
61a00 | 70 72 69 6e 74 73 00 96 01 00 00 04 4d 50 32 44 00 8b 01 00 00 02 30 00 10 00 00 00 39 3b 31 2d | prints......MP2D......0.....9;1- |
61a20 | 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 2d 31 2d | 1-29;2-2-8;..1.....29;1-2-8;1-1- |
61a40 | 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 39 3b 32 | 9;2-2-1;..2."...8;1-1-1;1-1-29;2 |
61a60 | 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 31 2d 31 | -1-1;2-1-8;2-1-9;..3.....1;1-1-1 |
61a80 | 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 3b 31 2d | ;1-1-8;2-2-1;2-1-29;..4."...1;1- |
61aa0 | 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 00 02 35 | 3-1;2-3-1;2-1-2;2-1-8;2-1-15;..5 |
61ac0 | 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 3b | .)...1;1-2-1;1-1-2;1-1-15;2-3-1; |
61ae0 | 32 2d 31 2d 32 3b 32 2d 33 2d 31 35 3b 00 02 36 00 23 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 32 | 2-1-2;2-3-15;..6.#...1;1-2-1;1-2 |
61b00 | 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 37 00 16 00 00 00 31 | -15;2-2-1;2-2-2;2-2-15;..7.....1 |
61b20 | 35 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 38 00 23 00 00 00 32 3b 31 2d | 5;1-1-1;2-2-1;2-1-2;..8.#...2;1- |
61b40 | 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 3b 00 02 | 1-1;1-1-2;1-1-15;2-3-1;2-2-15;.. |
61b60 | 39 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 30 00 | 9.....15;1-1-2;2-1-1;2-1-2;..10. |
61b80 | 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 00 00 04 64 61 | ....15;1-1-1;2-2-1;2-1-15;....da |
61ba0 | 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 | taset_ids......0.V..4+r.5o....1. |
61bc0 | 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba | V..:+r.5o....2.V..;+r.5o....3.V. |
61be0 | 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e | .<+r.5o....4.V..=+r.5o....5.V..> |
61c00 | 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 37 00 56 ba 0c 40 2b 72 | +r.5o....6.V..?+r.5o....7.V..@+r |
61c20 | ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 | .5o....8.V..A+r.5o....9.V..B+r.5 |
61c40 | 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f | o....10.V..C+r.5o.....features./ |
61c60 | 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 | ....56ba0c342b72ed356f000000.... |
61c80 | 00 01 30 00 38 f1 3b ef cc 30 7d 3f 00 00 02 73 6d 69 6c 65 73 00 2e 00 00 00 4f 3d 53 31 4f 43 | ..0.8.;..0}?...smiles.....O=S1OC |
61ca0 | 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 43 | C2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(C |
61cc0 | 6c 29 43 6c 29 43 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 9e e9 bf c6 52 01 00 00 09 63 72 65 | l)Cl)Cl..updated_at.....R....cre |
61ce0 | 61 74 65 64 5f 61 74 00 96 b7 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at.....R....default_fingerp |
61d00 | 72 69 6e 74 5f 73 69 7a 65 00 0b 00 00 00 02 69 6e 63 68 69 00 57 00 00 00 49 6e 43 68 49 3d 31 | rint_size......inchi.W...InChI=1 |
61d20 | 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 32 | S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2 |
61d40 | 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 34 | -18-19(16)17-1-3(4)7(5,12)9(8,14 |
61d60 | 29 31 35 2f 68 33 2d 34 48 2c 31 2d 32 48 32 00 00 8d 04 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 | )15/h3-4H,1-2H2......._id.V..7+r |
61d80 | ed 35 6f 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 | .5o....warnings.......fingerprin |
61da0 | 74 73 00 70 02 00 00 04 4d 50 32 44 00 65 02 00 00 02 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 | ts.p....MP2D.e....0.....32;1-1-2 |
61dc0 | 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 2d | ;2-1-1;2-1-32;..1.....2;1-1-1;1- |
61de0 | 32 2d 33 32 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 31 2d 31 | 2-32;2-1-1;2-1-8;..2."...1;1-1-1 |
61e00 | 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 33 00 21 00 | ;1-1-2;1-1-8;2-1-3;2-2-32;..3.!. |
61e20 | 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 2d | ..8;1-1-1;1-1-3;2-1-1;2-1-2;2-2- |
61e40 | 33 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 2d | 3;..4.....3;1-2-3;1-1-8;2-1-1;2- |
61e60 | 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 38 3b | 2-3;..5.....3;1-2-3;2-2-3;2-1-8; |
61e80 | 00 02 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 37 00 | ..6.....3;1-2-3;1-1-8;2-3-3;..7. |
61ea0 | 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 38 00 23 00 00 | ....8;1-2-3;2-3-3;2-1-11;..8.#.. |
61ec0 | 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 33 3b 32 2d 31 2d | .3;1-1-3;1-1-8;1-1-11;2-3-3;2-1- |
61ee0 | 31 35 3b 00 02 39 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 | 15;..9.....11;1-2-3;2-2-3;2-1-8; |
61f00 | 00 02 31 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 2d | ..10.....3;1-1-3;1-1-11;2-1-1;2- |
61f20 | 32 2d 33 3b 00 02 31 31 00 23 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 33 | 2-3;..11.#...3;1-1-1;1-2-3;2-1-3 |
61f40 | 3b 32 2d 31 2d 31 31 3b 32 2d 33 2d 31 36 3b 00 02 31 32 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b | ;2-1-11;2-3-16;..12.....3;1-2-3; |
61f60 | 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 35 3b 00 02 31 33 00 23 00 00 00 33 3b 31 2d | 2-1-1;2-2-3;2-1-15;..13.#...3;1- |
61f80 | 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 00 02 | 2-3;1-1-15;2-1-3;2-1-8;2-1-11;.. |
61fa0 | 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 00 16 00 00 00 31 | 14.....15;1-1-3;2-2-3;..15.....1 |
61fc0 | 3b 31 2d 31 2d 33 3b 31 2d 33 2d 31 36 3b 32 2d 32 2d 33 3b 00 02 31 36 00 17 00 00 00 31 36 3b | ;1-1-3;1-3-16;2-2-3;..16.....16; |
61fe0 | 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 31 36 3b 00 02 31 37 00 15 00 00 00 31 3b 31 2d | 1-1-1;2-1-3;2-2-16;..17.....1;1- |
62000 | 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 | 1-1;2-1-2;2-1-8;....dataset_ids. |
62020 | ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 | .....0.V..4+r.5o....1.V..:+r.5o. |
62040 | 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 | ...2.V..;+r.5o....3.V..;+r.5o... |
62060 | 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 | .4.V..=+r.5o....5.V..>+r.5o....6 |
62080 | 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 | .V..?+r.5o....7.V..@+r.5o....8.V |
620a0 | ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba | ..A+r.5o....9.V..B+r.5o....10.V. |
620c0 | 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 | .C+r.5o.....features./....56ba0c |
620e0 | 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 66 cd 7e f8 6d 1e | 342b72ed356f000000......0.f.~.m. |
62100 | 32 3f 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 63 63 28 63 | 2?...smiles.+...OC(=O)C(Oc1ccc(c |
62120 | 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 75 70 64 61 | c1)Oc1ncc(cc1Cl)C(F)(F)F)C..upda |
62140 | 74 65 64 5f 61 74 00 db e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 9f b7 bf c6 52 | ted_at.....R....created_at.....R |
62160 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 12 00 00 | ....default_fingerprint_size.... |
62180 | 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 6c 46 33 4e | ..inchi.q...InChI=1S/C15H11ClF3N |
621a0 | 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 31 28 35 2d | O4/c1-8(14(21)22)23-10-2-4-11(5- |
621c0 | 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 29 31 35 28 | 3-10)24-13-12(16)6-9(7-20-13)15( |
621e0 | 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 00 00 2b 04 | 17,18)19/h2-8H,1H3,(H,21,22)..+. |
62200 | 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 ed 35 6f 00 01 a2 04 77 61 72 6e 69 6e 67 73 00 05 00 00 | ..._id.V..7+r.5o....warnings.... |
62220 | 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 27 02 00 00 04 4d 50 32 44 00 1c 02 00 00 02 30 | ...fingerprints.'....MP2D......0 |
62240 | 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 |
62260 | 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 31 2d 31 3b | -1;1-1-8;2-1-12;..2."...8;1-1-1; |
62280 | 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 00 1c 00 00 | 1-1-12;2-1-1;2-1-8;2-2-9;..3.... |
622a0 | 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 34 00 | .12;1-2-8;1-2-9;2-2-1;2-1-2;..4. |
622c0 | 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 00 28 00 00 | ....9;1-1-12;2-2-8;2-1-9;..5.(.. |
622e0 | 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 32 2d 32 2d | .9;1-1-2;1-1-12;2-1-2;2-1-3;2-2- |
62300 | 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 33 3b 31 2d | 8;2-1-9;..6.)...2;1-1-2;1-1-3;1- |
62320 | 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 1c 00 00 00 | 1-9;2-2-3;2-1-12;2-1-15;..7..... |
62340 | 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 02 38 00 10 | 2;1-1-2;1-1-15;2-1-3;2-1-9;..8.. |
62360 | 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 31 2d 31 2d | ...15;1-1-2;2-1-2;..9.(...3;1-1- |
62380 | 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 31 2d 31 35 | 2;1-2-3;2-1-2;2-2-3;2-1-9;2-1-15 |
623a0 | 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 02 | ;..10.....3;1-2-3;2-1-2;2-2-3;.. |
623c0 | 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 |
623e0 | 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 33 00 16 | .....3;1-2-3;1-1-15;2-2-3;..13.. |
62400 | 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 00 1c 00 00 | ...3;1-2-3;2-2-3;2-2-15;..14.... |
62420 | 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 35 | .3;1-2-3;1-1-15;2-1-2;2-2-3;..15 |
62440 | 00 10 00 00 00 31 35 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f | .....15;1-1-3;2-2-3;....dataset_ |
62460 | 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 | ids......0.V..4+r.5o....1.V..:+r |
62480 | ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 | .5o....2.V..;+r.5o....3.V..<+r.5 |
624a0 | 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 | o....4.V..=+r.5o....5.V..>+r.5o. |
624c0 | 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce | ...6.V..?+r.5o....7.V..@+r.5o... |
624e0 | 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 | .8.V..A+r.5o....9.V..B+r.5o....1 |
62500 | 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 | 0.V..C+r.5o.....features./....56 |
62520 | 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 81 e7 | ba0c342b72ed356f000000......0... |
62540 | 7f e0 4a 16 71 3f 00 00 02 73 6d 69 6c 65 73 00 24 00 00 00 43 43 4f 50 28 3d 4f 29 28 4f 43 28 | ..J.q?...smiles.$...CCOP(=O)(OC( |
62560 | 3d 43 43 6c 29 63 31 63 63 63 28 63 63 31 43 6c 29 43 6c 29 4f 43 43 00 09 75 70 64 61 74 65 64 | =CCl)c1ccc(cc1Cl)Cl)OCC..updated |
62580 | 5f 61 74 00 5e ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 af b7 bf c6 52 01 00 00 | _at.^...R....created_at.....R... |
625a0 | 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 10 00 00 00 02 69 | .default_fingerprint_size......i |
625c0 | 6e 63 68 69 00 5f 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 32 48 31 34 43 6c 33 4f 34 50 2f 63 | nchi._...InChI=1S/C12H14Cl3O4P/c |
625e0 | 31 2d 33 2d 31 37 2d 32 30 28 31 36 2c 31 38 2d 34 2d 32 29 31 39 2d 31 32 28 38 2d 31 33 29 31 | 1-3-17-20(16,18-4-2)19-12(8-13)1 |
62600 | 30 2d 36 2d 35 2d 39 28 31 34 29 37 2d 31 31 28 31 30 29 31 35 2f 68 35 2d 38 48 2c 33 2d 34 48 | 0-6-5-9(14)7-11(10)15/h5-8H,3-4H |
62620 | 32 2c 31 2d 32 48 33 00 00 05 03 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 ed 35 6f 00 01 a3 04 77 | 2,1-2H3......._id.V..7+r.5o....w |
62640 | 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 31 01 00 00 04 | arnings.......fingerprints.1.... |
62660 | 4d 50 32 44 00 26 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 | MP2D.&....0.....1;1-1-1;2-1-1;.. |
62680 | 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 1d 00 00 00 31 3b 31 | 1.....1;1-2-1;2-1-10;..2.....1;1 |
626a0 | 2d 31 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 33 00 2a 00 00 | -1-1;1-1-10;2-1-1;2-1-12;..3.*.. |
626c0 | 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 31 2d 38 3b 32 2d 31 | .10;1-1-1;1-1-12;2-1-1;2-1-8;2-1 |
626e0 | 2d 39 3b 32 2d 31 2d 31 30 3b 00 02 34 00 1d 00 00 00 31 32 3b 31 2d 31 2d 38 3b 31 2d 31 2d 39 | -9;2-1-10;..4.....12;1-1-8;1-1-9 |
62700 | 3b 31 2d 32 2d 31 30 3b 32 2d 33 2d 31 3b 00 02 35 00 17 00 00 00 39 3b 31 2d 31 2d 31 32 3b 32 | ;1-2-10;2-3-1;..5.....9;1-1-12;2 |
62720 | 2d 31 2d 38 3b 32 2d 32 2d 31 30 3b 00 02 36 00 23 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -1-8;2-2-10;..6.#...8;1-1-1;1-1- |
62740 | 31 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 30 3b 00 02 37 00 16 00 00 00 31 3b | 12;2-1-1;2-1-9;2-2-10;..7.....1; |
62760 | 31 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 02 38 00 0f 00 00 00 31 3b 31 2d 31 | 1-1-1;1-1-8;2-1-12;..8.....1;1-1 |
62780 | 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 | -1;2-1-8;....dataset_ids......0. |
627a0 | 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba | V..4+r.5o....1.V..:+r.5o....2.V. |
627c0 | 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d | .:+r.5o....3.V..<+r.5o....4.V..= |
627e0 | 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 | +r.5o....5.V..>+r.5o....6.V..?+r |
62800 | ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 | .5o....7.V..@+r.5o....8.V..A+r.5 |
62820 | 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f | o....9.V..B+r.5o....10.V..C+r.5o |
62840 | 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 | .....features./....56ba0c342b72e |
62860 | 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 4c 6c 39 a2 4f d1 86 3f 00 00 02 73 6d | d356f000000......0.Ll9.O..?...sm |
62880 | 69 6c 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 | iles.....CCCSP(=O)(SCCC)OCC..upd |
628a0 | 61 74 65 64 5f 61 74 00 ad e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ba b7 bf c6 | ated_at.....R....created_at..... |
628c0 | 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 09 00 | R....default_fingerprint_size... |
628e0 | 00 00 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 | ...inchi.@...InChI=1S/C8H19O2PS2 |
62900 | 2f 63 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 | /c1-4-7-12-11(9,10-6-3)13-8-5-2/ |
62920 | 68 34 2d 38 48 32 2c 31 2d 33 48 33 00 00 45 03 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 ed 35 6f | h4-8H2,1-3H3..E...._id.V..7+r.5o |
62940 | 00 01 a4 04 77 61 72 6e 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. |
62960 | 62 01 00 00 04 4d 50 32 44 00 57 01 00 00 02 30 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 2d | b....MP2D.W....0.....32;1-1-2;2- |
62980 | 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 2d 33 | 1-1;2-1-32;..1.....2;1-1-1;1-2-3 |
629a0 | 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 02 32 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d | 2;2-1-1;2-1-5;..2."...1;1-1-1;1- |
629c0 | 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 33 00 1c 00 00 00 31 | 1-2;1-1-5;2-1-1;2-2-32;..3.....1 |
629e0 | 3b 31 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 35 3b 32 2d 31 2d 31 32 3b 00 02 34 00 22 00 | ;1-2-1;2-1-2;2-1-5;2-1-12;..4.". |
62a00 | 00 00 31 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 | ..1;1-1-1;1-1-12;2-2-1;2-1-8;2-1 |
62a20 | 2d 39 3b 00 02 35 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 | -9;..5.....12;1-2-1;1-1-8;1-1-9; |
62a40 | 32 2d 31 2d 31 3b 00 02 36 00 16 00 00 00 39 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d 31 3b 32 2d 31 | 2-1-1;..6.....9;1-1-12;2-2-1;2-1 |
62a60 | 2d 38 3b 00 02 37 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 | -8;..7.....8;1-1-12;2-2-1;2-1-9; |
62a80 | 00 02 38 00 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 | ..8.....1;1-1-12;2-1-1;2-1-8;2-1 |
62aa0 | 2d 39 3b 00 02 39 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 | -9;..9.....5;1-1-1;2-1-1;2-1-2;. |
62ac0 | 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 | ...dataset_ids......0.V..4+r.5o. |
62ae0 | 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 | ...1.V..:+r.5o....2.V..;+r.5o... |
62b00 | 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 | .3.V..;+r.5o....4.V..=+r.5o....5 |
62b20 | 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 | .V..>+r.5o....6.V..?+r.5o....7.V |
62b40 | ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c | ..@+r.5o....8.V..A+r.5o....9.V.. |
62b60 | 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 | B+r.5o....10.V..C+r.5o.....featu |
62b80 | 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 | res./....56ba0c342b72ed356f00000 |
62ba0 | 30 00 10 00 00 00 01 30 00 e6 79 0a 78 88 c9 93 3f 00 00 02 73 6d 69 6c 65 73 00 16 00 00 00 4f | 0......0..y.x...?...smiles.....O |
62bc0 | 43 28 3d 4f 29 43 28 43 43 50 28 3d 4f 29 28 4f 29 43 29 4e 00 09 75 70 64 61 74 65 64 5f 61 74 | C(=O)C(CCP(=O)(O)C)N..updated_at |
62be0 | 00 e1 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 c7 b7 bf c6 52 01 00 00 10 64 65 | .....R....created_at.....R....de |
62c00 | 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0a 00 00 00 02 69 6e 63 68 | fault_fingerprint_size......inch |
62c20 | 69 00 4c 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 35 48 31 32 4e 4f 34 50 2f 63 31 2d 31 31 28 39 | i.L...InChI=1S/C5H12NO4P/c1-11(9 |
62c40 | 2c 31 30 29 33 2d 32 2d 34 28 36 29 35 28 37 29 38 2f 68 34 48 2c 32 2d 33 2c 36 48 32 2c 31 48 | ,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H |
62c60 | 33 2c 28 48 2c 37 2c 38 29 28 48 2c 39 2c 31 30 29 00 00 77 03 00 00 07 5f 69 64 00 56 ba 0c 37 | 3,(H,7,8)(H,9,10)..w...._id.V..7 |
62c80 | 2b 72 ed 35 6f 00 01 a5 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.5o....warnings.......fingerpr |
62ca0 | 69 6e 74 73 00 9e 01 00 00 04 4d 50 32 44 00 93 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d | ints......MP2D......0.....1;1-1- |
62cc0 | 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 32 2d | 8;2-1-2;..1.....8;1-1-1;1-1-2;2- |
62ce0 | 31 2d 32 3b 32 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 | 1-2;2-1-9;..2.!...2;1-1-2;1-1-8; |
62d00 | 31 2d 31 2d 39 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 00 15 00 00 00 39 3b 31 2d 31 2d | 1-1-9;2-1-1;2-1-2;..3.....9;1-1- |
62d20 | 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 38 3b 00 02 34 00 1b 00 00 00 32 3b 31 2d 32 2d 32 3b 32 2d | 2;2-1-2;2-1-8;..4.....2;1-2-2;2- |
62d40 | 31 2d 31 3b 32 2d 31 2d 38 3b 32 2d 32 2d 39 3b 00 02 35 00 22 00 00 00 32 3b 31 2d 31 2d 31 3b | 1-1;2-1-8;2-2-9;..5."...2;1-1-1; |
62d60 | 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 31 2d 31 32 3b 00 02 36 00 28 00 00 | 1-1-2;1-1-9;2-1-2;2-1-12;..6.(.. |
62d80 | 00 39 3b 31 2d 31 2d 32 3b 31 2d 31 2d 31 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d | .9;1-1-2;1-1-12;2-1-1;2-1-2;2-2- |
62da0 | 38 3b 32 2d 31 2d 39 3b 00 02 37 00 1c 00 00 00 31 32 3b 31 2d 32 2d 38 3b 31 2d 32 2d 39 3b 32 | 8;2-1-9;..7.....12;1-2-8;1-2-9;2 |
62dc0 | 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 38 00 16 00 00 00 39 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d | -2-1;2-1-2;..8.....9;1-1-12;2-2- |
62de0 | 38 3b 32 2d 31 2d 39 3b 00 02 39 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b 32 | 8;2-1-9;..9.....8;1-1-1;1-1-12;2 |
62e00 | 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 2d | -1-8;2-2-9;..10.....1;1-1-8;2-1- |
62e20 | 31 32 3b 00 02 31 31 00 15 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d 31 2d 39 3b | 12;..11.....1;1-1-2;2-1-2;2-1-9; |
62e40 | 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f | ....dataset_ids......0.V..4+r.5o |
62e60 | 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 | ....1.V..:+r.5o....2.V..:+r.5o.. |
62e80 | c3 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 | ..3.V..<+r.5o....4.V..=+r.5o.... |
62ea0 | 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 | 5.V..>+r.5o....6.V..?+r.5o....7. |
62ec0 | 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba | V..@+r.5o....8.V..A+r.5o....9.V. |
62ee0 | 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 | .B+r.5o....10.V..C+r.5o.....feat |
62f00 | 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 | ures./....56ba0c342b72ed356f0000 |
62f20 | 30 30 00 10 00 00 00 01 30 00 cc 08 2f be 43 95 59 3f 00 00 02 73 6d 69 6c 65 73 00 1a 00 00 00 | 00......0.../.C.Y?...smiles..... |
62f40 | 43 4f 43 28 3d 4f 29 43 3d 43 28 4f 50 28 3d 4f 29 28 4f 43 29 4f 43 29 43 00 09 75 70 64 61 74 | COC(=O)C=C(OP(=O)(OC)OC)C..updat |
62f60 | 65 64 5f 61 74 00 c5 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 d6 b7 bf c6 52 01 | ed_at.....R....created_at.....R. |
62f80 | 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0c 00 00 00 | ...default_fingerprint_size..... |
62fa0 | 02 69 6e 63 68 69 00 3e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 31 33 4f 36 50 2f 63 31 2d | .inchi.>...InChI=1S/C7H13O6P/c1- |
62fc0 | 36 28 35 2d 37 28 38 29 31 30 2d 32 29 31 33 2d 31 34 28 39 2c 31 31 2d 33 29 31 32 2d 34 2f 68 | 6(5-7(8)10-2)13-14(9,11-3)12-4/h |
62fe0 | 35 48 2c 31 2d 34 48 33 00 00 28 03 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 ed 35 6f 00 01 a6 04 | 5H,1-4H3..(...._id.V..7+r.5o.... |
63000 | 77 61 72 6e 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... |
63020 | 04 4d 50 32 44 00 49 01 00 00 02 30 00 10 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b | .MP2D.I....0.....1;1-1-1;2-1-10; |
63040 | 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 32 | ..1.....1;1-1-1;1-1-10;2-1-1;..2 |
63060 | 00 17 00 00 00 31 30 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 33 00 17 | .....10;1-2-1;2-1-1;2-1-10;..3.. |
63080 | 00 00 00 31 3b 31 2d 32 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 32 3b 00 02 34 00 25 00 00 | ...1;1-2-10;2-1-1;2-1-12;..4.%.. |
630a0 | 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 30 3b 32 2d | .10;1-1-1;1-1-12;2-2-8;2-1-10;2- |
630c0 | 31 2d 31 38 3b 00 02 35 00 1e 00 00 00 31 32 3b 31 2d 32 2d 38 3b 31 2d 31 2d 31 30 3b 31 2d 31 | 1-18;..5.....12;1-2-8;1-1-10;1-1 |
630e0 | 2d 31 38 3b 32 2d 33 2d 31 3b 00 02 36 00 18 00 00 00 31 38 3b 31 2d 31 2d 31 32 3b 32 2d 32 2d | -18;2-3-1;..6.....18;1-1-12;2-2- |
63100 | 38 3b 32 2d 31 2d 31 30 3b 00 02 37 00 2a 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 32 3b | 8;2-1-10;..7.*...8;1-1-1;1-1-12; |
63120 | 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 38 00 16 00 | 2-1-1;2-1-8;2-1-10;2-1-18;..8... |
63140 | 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 39 00 0f 00 00 00 31 | ..1;1-1-1;1-1-8;2-1-12;..9.....1 |
63160 | 3b 31 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 | ;1-1-1;2-1-8;....dataset_ids.... |
63180 | 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 | ..0.V..4+r.5o....1.V..:+r.5o.... |
631a0 | 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 | 2.V..;+r.5o....3.V..<+r.5o....4. |
631c0 | 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba | V..=+r.5o....5.V..>+r.5o....6.V. |
631e0 | 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 | .?+r.5o....7.V..@+r.5o....8.V..A |
63200 | 2b 72 ed 35 6f 00 01 cf 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b | +r.5o....9.V..B+r.5o....10.V..C+ |
63220 | 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 | r.5o.....features./....56ba0c342 |
63240 | 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 9f ce 24 ba bc 22 44 3f 00 | b72ed356f000000......0...$.."D?. |
63260 | 00 02 73 6d 69 6c 65 73 00 13 00 00 00 43 43 53 43 53 50 28 3d 53 29 28 4f 43 43 29 4f 43 43 00 | ..smiles.....CCSCSP(=S)(OCC)OCC. |
63280 | 09 75 70 64 61 74 65 64 5f 61 74 00 23 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 | .updated_at.#...R....created_at. |
632a0 | db b7 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a | ....R....default_fingerprint_siz |
632c0 | 65 00 0a 00 00 00 02 69 6e 63 68 69 00 40 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 37 48 31 37 4f | e......inchi.@...InChI=1S/C7H17O |
632e0 | 32 50 53 33 2f 63 31 2d 34 2d 38 2d 31 30 28 31 31 2c 39 2d 35 2d 32 29 31 33 2d 37 2d 31 32 2d | 2PS3/c1-4-8-10(11,9-5-2)13-7-12- |
63300 | 36 2d 33 2f 68 34 2d 37 48 32 2c 31 2d 33 48 33 00 00 fd 03 00 00 07 5f 69 64 00 56 ba 0c 37 2b | 6-3/h4-7H2,1-3H3......._id.V..7+ |
63320 | 72 ed 35 6f 00 01 a7 04 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.5o....warnings.......fingerpri |
63340 | 6e 74 73 00 08 02 00 00 04 4d 50 32 44 00 fd 01 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 | nts......MP2D......0.....1;1-1-1 |
63360 | 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 |
63380 | 2d 33 3b 00 02 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 | -3;..2."...8;1-1-1;1-1-3;2-1-1;2 |
633a0 | 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 33 3b 31 2d 31 2d | -1-3;2-1-11;..3."...3;1-1-3;1-1- |
633c0 | 38 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 34 00 16 00 00 00 33 3b 31 | 8;1-1-11;2-1-1;2-2-3;..4.....3;1 |
633e0 | 2d 32 2d 33 3b 32 2d 32 2d 38 3b 32 2d 32 2d 31 31 3b 00 02 35 00 23 00 00 00 33 3b 31 2d 31 2d | -2-3;2-2-8;2-2-11;..5.#...3;1-1- |
63400 | 33 3b 31 2d 31 2d 38 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 32 3b 00 02 36 00 | 3;1-1-8;1-1-11;2-2-3;2-1-12;..6. |
63420 | 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 31 2d 38 3b 32 | #...11;1-2-3;2-1-1;2-1-3;2-1-8;2 |
63440 | 2d 31 2d 31 31 3b 00 02 37 00 1c 00 00 00 33 3b 31 2d 31 2d 31 3b 31 2d 32 2d 31 31 3b 32 2d 31 | -1-11;..7.....3;1-1-1;1-2-11;2-1 |
63460 | 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 00 16 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 | -1;2-2-3;..8.....1;1-1-1;1-1-3;2 |
63480 | 2d 32 2d 31 31 3b 00 02 39 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 31 30 | -2-11;..9.....1;1-1-1;2-1-3;..10 |
634a0 | 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; |
634c0 | 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 33 2d 38 3b | 2-1-11;2-1-18;..11.....12;1-3-8; |
634e0 | 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 31 38 3b 31 | 1-1-18;2-2-1;2-1-3;..12.....18;1 |
63500 | 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 3b 31 2d 31 | -1-12;2-3-8;..13.....8;1-1-1;1-1 |
63520 | 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 31 2d 31 2d | -12;2-2-8;2-1-18;..14.....1;1-1- |
63540 | 38 3b 32 2d 31 2d 31 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 | 8;2-1-12;....dataset_ids......0. |
63560 | 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba | V..4+r.5o....1.V..:+r.5o....2.V. |
63580 | 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d | .;+r.5o....3.V..<+r.5o....4.V..= |
635a0 | 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 | +r.5o....5.V..>+r.5o....6.V..?+r |
635c0 | ed 35 6f 00 01 cb 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 | .5o....7.V..@+r.5o....8.V..A+r.5 |
635e0 | 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f | o....9.V..B+r.5o....10.V..C+r.5o |
63600 | 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 | .....features./....56ba0c342b72e |
63620 | 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 eb 9c 2b 7f 5f 39 59 3f 00 00 02 73 6d | d356f000000......0...+._9Y?...sm |
63640 | 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 28 3d 53 29 | iles.....CCOc1cc(nc(n1)CC)OP(=S) |
63660 | 28 4f 43 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 95 e9 bf c6 52 01 00 00 09 63 72 65 61 | (OC)OC..updated_at.....R....crea |
63680 | 74 65 64 5f 61 74 00 ee b7 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at.....R....default_fingerpr |
636a0 | 69 6e 74 5f 73 69 7a 65 00 0f 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 |
636c0 | 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 2d 36 2d 32 | /C10H17N2O4PS/c1-5-8-11-9(15-6-2 |
636e0 | 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 34 2f 68 37 | )7-10(12-8)16-17(18,13-3)14-4/h7 |
63700 | 48 2c 35 2d 36 48 32 2c 31 2d 34 48 33 00 00 8a 04 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 ed 35 | H,5-6H2,1-4H3......._id.V..7+r.5 |
63720 | 6f 00 01 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 | o....warnings.......fingerprints |
63740 | 00 7b 02 00 00 04 4d 50 32 44 00 70 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d | .{....MP2D.p....0.....1;1-1-1;2- |
63760 | 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 31 2d 31 32 | 1-8;..1.....1;1-1-1;1-1-8;2-1-12 |
63780 | 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 31 3b 32 2d | ;..2.*...8;1-1-1;1-1-12;2-1-1;2- |
637a0 | 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 2d 32 | 1-8;2-1-10;2-1-18;..3.....12;1-2 |
637c0 | 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 00 31 | -8;1-1-10;1-1-18;2-3-1;..4.....1 |
637e0 | 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 00 00 31 30 | 8;1-1-12;2-2-8;2-1-10;..5.%...10 |
63800 | 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 2d 31 | ;1-1-1;1-1-12;2-2-8;2-1-11;2-1-1 |
63820 | 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 32 2d 33 3b | 8;..6.....1;1-1-10;1-1-11;2-2-3; |
63840 | 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 33 3b 32 2d | 2-1-12;..7.#...11;1-1-1;1-2-3;2- |
63860 | 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 2d 32 2d 39 | 2-3;2-2-9;2-1-10;..8.....3;1-2-9 |
63880 | 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 39 3b 31 2d | ;1-1-11;2-1-1;2-2-3;..9.....9;1- |
638a0 | 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 31 2d 32 2d | 1-3;2-1-9;2-1-11;..10.....9;1-2- |
638c0 | 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 00 00 33 3b | 3;2-2-3;2-1-9;2-1-11;..11.....3; |
638e0 | 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 32 00 22 00 | 1-2-3;1-1-9;2-3-3;2-1-11;..12.". |
63900 | 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 3b 32 2d 31 | ..3;1-2-3;1-1-11;2-1-1;2-3-3;2-1 |
63920 | 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 31 2d 31 31 | -9;..13.....3;1-2-3;2-2-3;2-1-11 |
63940 | 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 35 3b 00 | ;..14.....3;1-2-3;2-2-3;2-1-15;. |
63960 | 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 00 02 31 | .15.....3;1-2-3;1-1-15;2-2-3;..1 |
63980 | 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 31 2d 31 35 | 6.....3;1-2-3;2-2-3;2-1-9;2-1-15 |
639a0 | 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 00 04 64 61 74 | ;..17.....15;1-1-3;2-2-3;....dat |
639c0 | 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 | aset_ids......0.V..4+r.5o....1.V |
639e0 | ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c | ..:+r.5o....2.V..;+r.5o....3.V.. |
63a00 | 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b | <+r.5o....4.V..=+r.5o....5.V..>+ |
63a20 | 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed | r.5o....6.V..?+r.5o....7.V..@+r. |
63a40 | 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f | 5o....8.V..A+r.5o....9.V..B+r.5o |
63a60 | 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 00 03 66 65 61 74 75 72 65 73 00 2f 00 | ....10.V..C+r.5o.....features./. |
63a80 | 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 | ...56ba0c342b72ed356f000000..... |
63aa0 | 01 30 00 9e 51 93 ae bf 45 76 3f 00 00 02 73 6d 69 6c 65 73 00 25 00 00 00 43 43 4f 50 28 3d 53 | .0..Q...Ev?...smiles.%...CCOP(=S |
63ac0 | 29 28 53 43 6e 31 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 | )(SCn1c(=O)oc2c1ccc(c2)Cl)OCC..u |
63ae0 | 70 64 61 74 65 64 5f 61 74 00 79 e6 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 ff b7 | pdated_at.y...R....created_at... |
63b00 | bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 | ..R....default_fingerprint_size. |
63b20 | 12 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 32 48 31 35 43 6c | .....inchi.i...InChI=1S/C12H15Cl |
63b40 | 4e 4f 34 50 53 32 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 | NO4PS2/c1-3-16-19(20,17-4-2)21-8 |
63b60 | 2d 31 34 2d 31 30 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 | -14-10-6-5-9(13)7-11(10)18-12(14 |
63b80 | 29 31 35 2f 68 35 2d 37 48 2c 33 2d 34 2c 38 48 32 2c 31 2d 32 48 33 00 00 00 05 00 00 07 5f 69 | )15/h5-7H,3-4,8H2,1-2H3......._i |
63ba0 | 64 00 56 ba 0c 37 2b 72 ed 35 6f 00 01 a9 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..7+r.5o....warnings.......fi |
63bc0 | 6e 67 65 72 70 72 69 6e 74 73 00 ea 02 00 00 04 4d 50 32 44 00 df 02 00 00 02 30 00 0f 00 00 00 | ngerprints......MP2D......0..... |
63be0 | 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- |
63c00 | 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 31 2d 32 3b | 1-8;2-1-2;..2.!...8;1-1-1;1-1-2; |
63c20 | 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 31 2d 31 2d | 2-1-1;2-1-3;2-1-9;..3.!...2;1-1- |
63c40 | 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 34 00 15 00 | 3;1-1-8;1-1-9;2-1-1;2-2-3;..4... |
63c60 | 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 00 00 33 3b | ..9;1-1-2;2-1-3;2-1-8;..5.(...3; |
63c80 | 31 2d 31 2d 32 3b 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 | 1-1-2;1-2-3;2-1-1;2-1-8;2-1-9;2- |
63ca0 | 32 2d 31 31 3b 00 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 | 2-11;..6.#...3;1-1-3;1-1-11;2-1- |
63cc0 | 32 3b 32 2d 32 2d 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 | 2;2-2-3;2-1-11;..7.....11;1-2-3; |
63ce0 | 31 2d 31 2d 31 31 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 | 1-1-11;2-3-3;2-1-11;..8.....11;1 |
63d00 | 2d 31 2d 33 3b 31 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 | -1-3;1-1-11;2-3-3;2-1-8;..9.*... |
63d20 | 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 33 3b 32 2d 31 2d 31 | 3;1-1-3;1-1-8;1-1-11;2-1-3;2-1-1 |
63d40 | 31 3b 32 2d 31 2d 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 | 1;2-1-12;..10.....3;1-2-3;2-1-8; |
63d60 | 32 2d 33 2d 31 31 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 | 2-3-11;..11.....3;1-1-3;1-2-11;2 |
63d80 | 2d 33 2d 33 3b 32 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 | -3-3;2-1-11;..12.....11;1-2-3;2- |
63da0 | 31 2d 31 3b 32 2d 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 | 1-1;2-2-3;2-1-11;..13."...3;1-1- |
63dc0 | 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 00 02 31 34 00 | 1;1-1-3;1-1-11;2-1-2;2-2-3;..14. |
63de0 | 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 35 00 2a 00 | ....1;1-1-3;2-1-3;2-1-11;..15.*. |
63e00 | 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 32 2d 31 | ..8;1-1-3;1-1-12;2-1-3;2-2-8;2-1 |
63e20 | 2d 31 31 3b 32 2d 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 | -11;2-1-18;..16.....12;1-3-8;1-1 |
63e40 | 2d 31 38 3b 32 2d 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 | -18;2-2-1;2-1-3;..17.....18;1-1- |
63e60 | 31 32 3b 32 2d 33 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 | 12;2-3-8;..18.#...8;1-1-1;1-1-12 |
63e80 | 3b 32 2d 31 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 31 3b 31 | ;2-1-1;2-2-8;2-1-18;..19.....1;1 |
63ea0 | 2d 31 2d 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 | -1-1;1-1-8;2-1-12;....dataset_id |
63ec0 | 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 | s......0.V..4+r.5o....1.V..:+r.5 |
63ee0 | 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 | o....2.V..;+r.5o....3.V..<+r.5o. |
63f00 | 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca | ...4.V..=+r.5o....5.V..>+r.5o... |
63f20 | 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 | .6.V..?+r.5o....7.V..@+r.5o....8 |
63f40 | 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 | .V..A+r.5o....9.V..B+r.5o....10. |
63f60 | 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 | V..C+r.5o.....features./....56ba |
63f80 | 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 9d 21 d3 32 | 0c342b72ed356f000000......0..!.2 |
63fa0 | e7 f0 85 3f 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 | ...?...smiles.'...CCOC(=O)c1cn2n |
63fc0 | 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 |
63fe0 | 64 5f 61 74 00 cf e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 09 b8 bf c6 52 01 00 | d_at.....R....created_at.....R.. |
64000 | 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 14 00 00 00 02 | ..default_fingerprint_size...... |
64020 | 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/ |
64040 | 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 |
64060 | 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 |
64080 | 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 ea 03 00 00 07 5f 69 | 1-7-3/h8-9H,5-7H2,1-4H3......._i |
640a0 | 64 00 56 ba 0c 37 2b 72 ed 35 6f 00 01 aa 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..7+r.5o....warnings.......fi |
640c0 | 6e 67 65 72 70 72 69 6e 74 73 00 e6 01 00 00 04 4d 50 32 44 00 db 01 00 00 02 30 00 0f 00 00 00 | ngerprints......MP2D......0..... |
640e0 | 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- |
64100 | 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 |
64120 | 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; |
64140 | 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.... |
64160 | 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 |
64180 | 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. |
641a0 | 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 | $...3;1-1-8;1-2-11;2-1-3;2-1-11; |
641c0 | 32 2d 31 2d 31 32 3b 00 02 37 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d | 2-1-12;..7.....11;1-2-3;2-1-8;2- |
641e0 | 32 2d 31 31 3b 00 02 38 00 17 00 00 00 33 3b 31 2d 32 2d 31 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 2-11;..8.....3;1-2-11;2-2-3;2-1- |
64200 | 31 31 3b 00 02 39 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 | 11;..9.....11;1-2-3;1-1-11;2-3-3 |
64220 | 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 24 00 00 00 31 31 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 | ;2-1-11;..10.$...11;1-1-3;1-1-11 |
64240 | 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 |
64260 | 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... |
64280 | 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..... |
642a0 | 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 | 3;1-2-3;2-2-3;....dataset_ids... |
642c0 | 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 | ...0.V..4+r.5o....1.V..:+r.5o... |
642e0 | 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 | .2.V..;+r.5o....3.V..<+r.5o....4 |
64300 | 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 | .V..=+r.5o....5.V..>+r.5o....6.V |
64320 | ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c | ..?+r.5o....7.V..@+r.5o....8.V.. |
64340 | 41 2b 72 ed 35 6f 00 01 cf 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 | A+r.5o....9.V..B+r.5o....10.V..C |
64360 | 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 | +r.5o.....features./....56ba0c34 |
64380 | 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 eb fe d9 a0 c3 fe 70 3f | 2b72ed356f000000......0.......p? |
643a0 | 00 00 02 73 6d 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 | ...smiles.....CCOP(=S)(Oc1ncn(n1 |
643c0 | 29 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 36 ea bf c6 52 01 | )c1ccccc1)OCC..updated_at.6...R. |
643e0 | 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 0f b8 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 | ...created_at.....R....default_f |
64400 | 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0e 00 00 00 02 69 6e 63 68 69 00 63 00 00 00 49 | ingerprint_size......inchi.c...I |
64420 | 6e 43 68 49 3d 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 | nChI=1S/C12H16N3O3PS/c1-3-16-19( |
64440 | 32 30 2c 31 37 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 | 20,17-4-2)18-12-13-10-15(14-12)1 |
64460 | 31 2d 38 2d 36 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 | 1-8-6-5-7-9-11/h5-10H,3-4H2,1-2H |
64480 | 33 00 00 7c 03 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 ed 35 6f 00 01 ab 04 77 61 72 6e 69 6e 67 | 3..|...._id.V..7+r.5o....warning |
644a0 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 8f 01 00 00 04 4d 50 32 44 00 84 | s.......fingerprints......MP2D.. |
644c0 | 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 00 1c 00 00 | ....0.....1;1-1-28;2-1-2;..1.... |
644e0 | 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 02 32 00 | .28;1-1-1;1-1-2;2-1-8;2-1-9;..2. |
64500 | 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 |
64520 | 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 |
64540 | 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 3b 32 2d | 8;..4."...8;1-1-2;1-1-3;2-2-3;2- |
64560 | 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 31 2d 38 | 1-9;2-1-28;..5.....3;1-2-3;1-1-8 |
64580 | 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 2d 31 | ;2-1-2;2-2-3;..6.....3;1-2-3;2-1 |
645a0 | 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 31 3b 31 | -1;2-2-3;2-1-8;..7.....3;1-1-1;1 |
645c0 | 2d 32 2d 33 3b 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 | -2-3;2-2-3;2-1-10;..8.....1;1-1- |
645e0 | 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 30 3b 32 | 3;2-2-3;..9.....3;1-2-3;1-1-10;2 |
64600 | 2d 33 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 30 00 16 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 | -3-1;2-2-3;..10.....10;1-1-1;1-1 |
64620 | 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 31 00 10 00 00 00 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 33 | -3;2-2-3;..11.....1;1-1-10;2-1-3 |
64640 | 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 | ;....dataset_ids......0.V..4+r.5 |
64660 | 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 | o....1.V..:+r.5o....2.V..:+r.5o. |
64680 | 01 c3 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 | ...3.V..<+r.5o....4.V..=+r.5o... |
646a0 | 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 | .5.V..>+r.5o....6.V..?+r.5o....7 |
646c0 | 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 | .V..@+r.5o....8.V..A+r.5o....9.V |
646e0 | ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 | ..B+r.5o....10.V..C+r.5o.....fea |
64700 | 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 | tures./....56ba0c342b72ed356f000 |
64720 | 30 30 30 00 10 00 00 00 01 30 00 4e b8 ee e2 40 22 a5 3f 00 00 02 73 6d 69 6c 65 73 00 1b 00 00 | 000......0.N...@".?...smiles.... |
64740 | 00 43 4e 43 28 3d 4f 29 4f 63 31 63 63 28 43 29 63 28 63 28 63 31 29 43 29 53 43 00 09 75 70 64 | .CNC(=O)Oc1cc(C)c(c(c1)C)SC..upd |
64760 | 61 74 65 64 5f 61 74 00 79 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 18 b8 bf c6 | ated_at.y...R....created_at..... |
64780 | 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0c 00 | R....default_fingerprint_size... |
647a0 | 00 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 31 35 4e 4f 32 53 | ...inchi.Q...InChI=1S/C11H15NO2S |
647c0 | 2f 63 31 2d 37 2d 35 2d 39 28 31 34 2d 31 31 28 31 33 29 31 32 2d 33 29 36 2d 38 28 32 29 31 30 | /c1-7-5-9(14-11(13)12-3)6-8(2)10 |
647e0 | 28 37 29 31 35 2d 34 2f 68 35 2d 36 48 2c 31 2d 34 48 33 2c 28 48 2c 31 32 2c 31 33 29 00 00 57 | (7)15-4/h5-6H,1-4H3,(H,12,13)..W |
64800 | 03 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 ed 35 6f 00 01 ac 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..7+r.5o....warnings... |
64820 | 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 01 00 00 02 | ....fingerprints.z....MP2D.o.... |
64840 | 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- |
64860 | 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; |
64880 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 00 22 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- |
648a0 | 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 3b 31 | 2;2-1-1;2-1-9;2-1-28;..4.....2;1 |
648c0 | 2d 31 2d 38 3b 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 00 02 35 00 16 00 00 00 | -1-8;1-1-9;1-1-28;2-2-1;..5..... |
648e0 | 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 36 00 22 00 00 00 32 38 3b | 9;1-1-2;2-1-8;2-1-28;..6."...28; |
64900 | 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;.. |
64920 | 37 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 2d 32 | 7.....1;1-1-1;1-1-28;2-1-1;2-1-2 |
64940 | 3b 00 02 38 00 16 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 32 38 3b 00 02 | ;..8.....1;1-2-1;2-1-5;2-1-28;.. |
64960 | 39 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 30 00 0f | 9.....1;1-1-1;1-1-5;2-3-1;..10.. |
64980 | 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b 00 02 31 31 00 0f 00 00 00 31 3b 31 2d 31 2d | ...5;1-3-1;2-1-1;..11.....1;1-1- |
649a0 | 35 3b 32 2d 32 2d 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 | 5;2-2-1;....dataset_ids......0.V |
649c0 | ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c | ..4+r.5o....1.V..:+r.5o....2.V.. |
649e0 | 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b | ;+r.5o....3.V..<+r.5o....4.V..=+ |
64a00 | 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed | r.5o....5.V..>+r.5o....6.V..?+r. |
64a20 | 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 00 56 ba 0c 41 2b 72 ed 35 6f | 5o....7.V..@+r.5o....8.V..A+r.5o |
64a40 | 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 | ....9.V..B+r.5o....10.V..C+r.5o. |
64a60 | 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 | ....features./....56ba0c342b72ed |
64a80 | 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 47 17 cd 6a 24 e5 0c 40 00 00 02 73 6d 69 | 356f000000......0.G..j$..@...smi |
64aa0 | 6c 65 73 00 13 00 00 00 43 43 43 4f 43 28 3d 4f 29 4e 43 43 43 4e 28 43 29 43 00 09 75 70 64 61 | les.....CCCOC(=O)NCCCN(C)C..upda |
64ac0 | 74 65 64 5f 61 74 00 d4 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 20 b8 bf c6 52 | ted_at.....R....created_at.....R |
64ae0 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0c 00 00 | ....default_fingerprint_size.... |
64b00 | 00 02 69 6e 63 68 69 00 49 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 32 30 4e 32 4f 32 2f 63 | ..inchi.I...InChI=1S/C9H20N2O2/c |
64b20 | 31 2d 34 2d 38 2d 31 33 2d 39 28 31 32 29 31 30 2d 36 2d 35 2d 37 2d 31 31 28 32 29 33 2f 68 34 | 1-4-8-13-9(12)10-6-5-7-11(2)3/h4 |
64b40 | 2d 38 48 32 2c 31 2d 33 48 33 2c 28 48 2c 31 30 2c 31 32 29 00 00 c1 03 00 00 07 5f 69 64 00 56 | -8H2,1-3H3,(H,10,12)......._id.V |
64b60 | ba 0c 37 2b 72 ed 35 6f 00 01 ad 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 | ..7+r.5o....warnings.......finge |
64b80 | 72 70 72 69 6e 74 73 00 d2 01 00 00 04 4d 50 32 44 00 c7 01 00 00 02 30 00 0f 00 00 00 31 3b 31 | rprints......MP2D......0.....1;1 |
64ba0 | 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 31 00 1c 00 00 00 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 | -1-8;2-1-2;..1.....8;1-1-1;1-1-2 |
64bc0 | 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 32 00 22 00 00 00 32 3b 31 2d 31 2d 38 3b 31 2d | ;2-1-9;2-1-28;..2."...2;1-1-8;1- |
64be0 | 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 33 00 16 00 00 00 39 | 1-9;1-1-28;2-1-1;2-1-3;..3.....9 |
64c00 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 32 38 3b 00 02 34 00 23 00 00 00 32 38 3b 31 | ;1-1-2;2-1-8;2-1-28;..4.#...28;1 |
64c20 | 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 31 3b 00 02 | -1-2;1-1-3;2-1-8;2-1-9;2-2-11;.. |
64c40 | 35 00 24 00 00 00 33 3b 31 2d 32 2d 31 31 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d | 5.$...3;1-2-11;1-1-28;2-1-2;2-2- |
64c60 | 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 32 2d 32 2d 33 3b | 3;2-1-13;..6.....11;1-2-3;2-2-3; |
64c80 | 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 32 2d 33 3b 31 2d | 2-1-11;2-1-28;..7.....3;1-2-3;1- |
64ca0 | 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 3b 31 2d 32 2d | 1-11;2-3-3;2-1-11;..8.$...3;1-2- |
64cc0 | 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 39 | 3;1-1-11;2-3-3;2-1-11;2-1-13;..9 |
64ce0 | 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 2d 31 2d 31 | .%...11;1-2-3;1-1-13;2-2-3;2-1-1 |
64d00 | 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 31 3b 32 2d 32 2d | 1;2-1-28;..10.....13;1-1-11;2-2- |
64d20 | 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 31 3b | 3;..11.....3;1-2-3;2-2-3;2-1-11; |
64d40 | 00 02 31 32 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 | ..12.....3;1-2-3;2-2-3;....datas |
64d60 | 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c | et_ids......0.V..4+r.5o....1.V.. |
64d80 | 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b | :+r.5o....2.V..;+r.5o....3.V..<+ |
64da0 | 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed | r.5o....4.V..=+r.5o....5.V..>+r. |
64dc0 | 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f | 5o....6.V..?+r.5o....7.V..@+r.5o |
64de0 | 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 | ....8.V..A+r.5o....9.V..B+r.5o.. |
64e00 | d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 | ..10.V..C+r.5o.....features./... |
64e20 | 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 | .56ba0c342b72ed356f000000......0 |
64e40 | 00 84 c1 02 07 3a 1b d9 3f 00 00 02 73 6d 69 6c 65 73 00 1b 00 00 00 43 4f 43 28 3d 4f 29 4e 63 | .....:..?...smiles.....COC(=O)Nc |
64e60 | 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 00 6c e6 | 1nc2c([nH]1)cccc2..updated_at.l. |
64e80 | bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 26 b8 bf c6 52 01 00 00 10 64 65 66 61 75 | ..R....created_at.&...R....defau |
64ea0 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0d 00 00 00 02 69 6e 63 68 69 00 53 | lt_fingerprint_size......inchi.S |
64ec0 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 39 48 39 4e 33 4f 32 2f 63 31 2d 31 34 2d 39 28 31 33 29 | ...InChI=1S/C9H9N3O2/c1-14-9(13) |
64ee0 | 31 32 2d 38 2d 31 30 2d 36 2d 34 2d 32 2d 33 2d 35 2d 37 28 36 29 31 31 2d 38 2f 68 32 2d 35 48 | 12-8-10-6-4-2-3-5-7(6)11-8/h2-5H |
64f00 | 2c 31 48 33 2c 28 48 32 2c 31 30 2c 31 31 2c 31 32 2c 31 33 29 00 00 d5 03 00 00 07 5f 69 64 00 | ,1H3,(H2,10,11,12,13)......._id. |
64f20 | 56 ba 0c 37 2b 72 ed 35 6f 00 01 ae 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e 67 | V..7+r.5o....warnings.......fing |
64f40 | 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 10 00 00 00 31 3b | erprints......MP2D......0.....1; |
64f60 | 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 2d | 1-1-28;2-1-2;..1.....28;1-1-1;1- |
64f80 | 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 39 3b 00 02 32 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b | 1-2;2-1-1;2-1-9;..2.....2;1-1-1; |
64fa0 | 31 2d 31 2d 39 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 00 02 33 00 16 00 00 00 39 3b 31 2d 31 | 1-1-9;1-1-28;2-2-1;..3.....9;1-1 |
64fc0 | 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 34 00 23 00 00 00 31 3b 31 2d 31 2d 31 3b | -2;2-1-1;2-1-28;..4.#...1;1-1-1; |
64fe0 | 31 2d 31 2d 32 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 32 38 3b 00 02 35 00 1c 00 | 1-1-2;2-1-9;2-1-10;2-1-28;..5... |
65000 | 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 32 3b 00 02 36 | ..1;1-1-1;1-1-10;2-1-1;2-1-2;..6 |
65020 | 00 10 00 00 00 31 30 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 37 00 1d 00 00 00 31 3b 31 2d | .....10;1-2-1;2-2-1;..7.....1;1- |
65040 | 31 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 3b 32 2d 31 2d 31 30 3b 00 02 38 00 1e 00 00 00 | 1-1;1-1-10;2-1-1;2-1-10;..8..... |
65060 | 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 31 30 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 32 3b 00 02 39 | 1;1-1-1;1-1-10;2-1-10;2-1-12;..9 |
65080 | 00 23 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 38 | .#...10;1-1-1;1-1-12;2-1-1;2-2-8 |
650a0 | 3b 32 2d 31 2d 39 3b 00 02 31 30 00 1d 00 00 00 31 32 3b 31 2d 32 2d 38 3b 31 2d 31 2d 39 3b 31 | ;2-1-9;..10.....12;1-2-8;1-1-9;1 |
650c0 | 2d 31 2d 31 30 3b 32 2d 33 2d 31 3b 00 02 31 31 00 17 00 00 00 39 3b 31 2d 31 2d 31 32 3b 32 2d | -1-10;2-3-1;..11.....9;1-1-12;2- |
650e0 | 32 2d 38 3b 32 2d 31 2d 31 30 3b 00 02 31 32 00 23 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- |
65100 | 31 32 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 30 3b 00 02 31 33 00 10 00 00 00 31 | 12;2-1-8;2-1-9;2-1-10;..13.....1 |
65120 | 3b 31 2d 31 2d 38 3b 32 2d 31 2d 31 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 | ;1-1-8;2-1-12;....dataset_ids... |
65140 | 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 | ...0.V..4+r.5o....1.V..:+r.5o... |
65160 | 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 | .2.V..;+r.5o....3.V..<+r.5o....4 |
65180 | 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 | .V..<+r.5o....5.V..>+r.5o....6.V |
651a0 | ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c | ..?+r.5o....7.V..@+r.5o....8.V.. |
651c0 | 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 | A+r.5o....9.V..B+r.5o....10.V..C |
651e0 | 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 | +r.5o.....features./....56ba0c34 |
65200 | 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 d1 7d 04 45 7a ca 5e 3f | 2b72ed356f000000......0..}.Ez.^? |
65220 | 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 28 3d 4f 29 | ...smiles.....CNC(=O)CCSCCSP(=O) |
65240 | 28 4f 43 29 4f 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 44 e9 bf c6 52 01 00 00 09 63 72 65 61 | (OC)OC..updated_at.D...R....crea |
65260 | 74 65 64 5f 61 74 00 2f b8 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at./...R....default_fingerpr |
65280 | 69 6e 74 5f 73 69 7a 65 00 0e 00 00 00 02 69 6e 63 68 69 00 53 00 00 00 49 6e 43 68 49 3d 31 53 | int_size......inchi.S...InChI=1S |
652a0 | 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 35 2d 36 2d | /C8H18NO4PS2/c1-9-8(10)4-5-15-6- |
652c0 | 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 31 2d 33 48 | 7-16-14(11,12-2)13-3/h4-7H2,1-3H |
652e0 | 33 2c 28 48 2c 39 2c 31 30 29 00 00 46 02 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 ed 35 6f 00 01 | 3,(H,9,10)..F...._id.V..7+r.5o.. |
65300 | af 04 77 61 72 6e 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 00 | ..warnings.......fingerprints.w. |
65320 | 00 00 04 4d 50 32 44 00 6c 00 00 00 02 30 00 0f 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 | ...MP2D.l....0.....3;1-2-3;2-2-3 |
65340 | 3b 00 02 31 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 | ;..1.....3;1-2-3;2-2-3;2-1-26;.. |
65360 | 32 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 33 00 10 | 2.....3;1-2-3;1-1-26;2-4-3;..3.. |
65380 | 00 00 00 32 36 3b 31 2d 33 2d 33 3b 32 2d 36 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 | ...26;1-3-3;2-6-3;....dataset_id |
653a0 | 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 | s......0.V..4+r.5o....1.V..:+r.5 |
653c0 | 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 | o....2.V..;+r.5o....3.V..<+r.5o. |
653e0 | 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca | ...4.V..=+r.5o....5.V..>+r.5o... |
65400 | 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 | .6.V..?+r.5o....7.V..@+r.5o....8 |
65420 | 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 | .V..A+r.5o....9.V..B+r.5o....10. |
65440 | 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 | V..C+r.5o.....features./....56ba |
65460 | 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 8f b6 23 7b | 0c342b72ed356f000000......0...#{ |
65480 | f9 15 4c 3f 00 00 02 73 6d 69 6c 65 73 00 21 00 00 00 63 31 63 63 63 28 63 63 31 29 5b 53 6e 5d | ..L?...smiles.!...c1ccc(cc1)[Sn] |
654a0 | 28 63 31 63 63 63 63 63 31 29 63 31 63 63 63 63 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 65 | (c1ccccc1)c1ccccc1..updated_at.e |
654c0 | e6 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 3f b8 bf c6 52 01 00 00 10 64 65 66 61 | ...R....created_at.?...R....defa |
654e0 | 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 04 00 00 00 02 69 6e 63 68 69 00 | ult_fingerprint_size......inchi. |
65500 | 2d 00 00 00 49 6e 43 68 49 3d 31 53 2f 33 43 36 48 35 2e 53 6e 2f 63 33 2a 31 2d 32 2d 34 2d 36 | -...InChI=1S/3C6H5.Sn/c3*1-2-4-6 |
65520 | 2d 35 2d 33 2d 31 3b 2f 68 33 2a 31 2d 35 48 3b 00 00 a7 04 00 00 07 5f 69 64 00 56 ba 0c 37 2b | -5-3-1;/h3*1-5H;......._id.V..7+ |
65540 | 72 ed 35 6f 00 01 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 | r.5o....warnings.......fingerpri |
65560 | 6e 74 73 00 99 02 00 00 04 4d 50 32 44 00 8e 02 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 31 | nts......MP2D......0.....1;1-1-1 |
65580 | 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 02 | ;2-1-1;..1.....1;1-2-1;2-1-10;.. |
655a0 | 32 00 1c 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 33 | 2.....1;1-1-1;1-1-10;2-1-1;2-1-3 |
655c0 | 3b 00 02 33 00 1c 00 00 00 31 30 3b 31 2d 31 2d 31 3b 31 2d 31 2d 33 3b 32 2d 31 2d 31 3b 32 2d | ;..3.....10;1-1-1;1-1-3;2-1-1;2- |
655e0 | 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 30 3b 32 2d 31 2d 31 | 2-3;..4.....3;1-2-3;1-1-10;2-1-1 |
65600 | 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 31 | ;2-2-3;..5.....3;1-2-3;2-2-3;2-1 |
65620 | 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 32 2d 31 2d 31 31 | -10;..6.....3;1-2-3;2-2-3;2-1-11 |
65640 | 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 33 3b 32 2d | ;..7.....3;1-2-3;1-1-11;2-3-3;2- |
65660 | 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 31 3b 32 2d 33 2d | 1-11;..8.$...3;1-2-3;1-1-11;2-3- |
65680 | 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 33 3b 00 02 39 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b | 3;2-1-11;2-1-13;..9.....3;1-2-3; |
656a0 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 25 00 00 00 31 31 3b | 2-2-3;2-1-10;2-1-11;..10.%...11; |
656c0 | 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 32 38 | 1-2-3;1-1-13;2-2-3;2-1-11;2-1-28 |
656e0 | 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 02 31 32 00 24 | ;..11.....13;1-1-11;2-2-3;..12.$ |
65700 | 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 33 3b 32 | ...3;1-2-11;1-1-28;2-1-2;2-2-3;2 |
65720 | 2d 31 2d 31 33 3b 00 02 31 33 00 1e 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | -1-13;..13.....11;1-2-3;2-2-3;2- |
65740 | 31 2d 31 31 3b 32 2d 31 2d 32 38 3b 00 02 31 34 00 23 00 00 00 32 38 3b 31 2d 31 2d 32 3b 31 2d | 1-11;2-1-28;..14.#...28;1-1-2;1- |
65760 | 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 31 35 00 22 00 00 00 | 1-3;2-1-8;2-1-9;2-2-11;..15."... |
65780 | 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 33 | 2;1-1-8;1-1-9;1-1-28;2-1-1;2-1-3 |
657a0 | 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;. |
657c0 | 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- |
657e0 | 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 00 00 04 64 61 | 28;..18.....1;1-1-8;2-1-2;....da |
65800 | 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 | taset_ids......0.V..4+r.5o....1. |
65820 | 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba | V..:+r.5o....2.V..;+r.5o....3.V. |
65840 | 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e | .<+r.5o....4.V..=+r.5o....5.V..> |
65860 | 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 | +r.5o....6.V..?+r.5o....7.V..@+r |
65880 | ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 cf 07 39 00 56 ba 0c 42 2b 72 ed 35 | .5o....8.V..A+r.5o....9.V..B+r.5 |
658a0 | 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f | o....10.V..C+r.5o.....features./ |
658c0 | 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 | ....56ba0c342b72ed356f000000.... |
658e0 | 00 01 30 00 82 38 67 7c ef 4b b3 3f 00 00 02 73 6d 69 6c 65 73 00 21 00 00 00 43 43 43 53 63 31 | ..0..8g|.K.?...smiles.!...CCCSc1 |
65900 | 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 00 09 75 70 64 61 | ccc2c(c1)[nH]c(n2)NC(=O)OC..upda |
65920 | 74 65 64 5f 61 74 00 15 ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 4f b8 bf c6 52 | ted_at.....R....created_at.O...R |
65940 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 13 00 00 | ....default_fingerprint_size.... |
65960 | 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 35 4e 33 4f 32 53 | ..inchi.l...InChI=1S/C12H15N3O2S |
65980 | 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 31 34 2d 31 31 28 | /c1-3-6-18-8-4-5-9-10(7-8)14-11( |
659a0 | 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 2c 33 2c 36 48 32 | 13-9)15-12(16)17-2/h4-5,7H,3,6H2 |
659c0 | 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 e1 04 00 00 07 5f 69 | ,1-2H3,(H2,13,14,15,16)......._i |
659e0 | 64 00 56 ba 0c 37 2b 72 ed 35 6f 00 01 b1 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 | d.V..7+r.5o....warnings.......fi |
65a00 | 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 00 00 00 | ngerprints......MP2D......0..... |
65a20 | 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 2d 32 2d 33 3b 31 | 16;1-1-3;2-2-3;..1.....3;1-2-3;1 |
65a40 | 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 33 3b 32 2d 32 2d | -1-16;2-2-3;..2.....3;1-2-3;2-2- |
65a60 | 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 2d 31 2d 32 3b 32 | 3;2-1-16;..3.....3;1-2-3;2-1-2;2 |
65a80 | 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 31 2d 31 | -2-3;..4.!...3;1-1-2;1-2-3;2-1-1 |
65aa0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 39 3b 00 02 35 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 | ;2-2-3;2-1-9;..5.!...2;1-1-1;1-1 |
65ac0 | 2d 33 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 | -3;1-1-9;2-1-1;2-2-3;..6.....9;1 |
65ae0 | 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 00 02 37 00 21 00 00 00 31 3b 31 2d 31 2d 31 | -1-2;2-1-1;2-1-3;..7.!...1;1-1-1 |
65b00 | 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 38 00 15 00 00 | ;1-1-2;2-1-1;2-1-3;2-1-9;..8.... |
65b20 | 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 32 3b 32 2d 31 2d 35 3b 00 02 39 00 15 00 00 00 31 3b 31 | .1;1-2-1;2-1-2;2-1-5;..9.....1;1 |
65b40 | 2d 31 2d 31 3b 31 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 | -1-1;1-1-5;2-3-1;..10.....5;1-3- |
65b60 | 31 3b 32 2d 33 2d 31 3b 00 02 31 31 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 35 3b 32 | 1;2-3-1;..11.....1;1-1-1;1-1-5;2 |
65b80 | 2d 32 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 31 32 00 22 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | -2-1;2-1-19;..12."...1;1-1-1;1-1 |
65ba0 | 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 33 00 23 00 00 00 31 | -19;2-1-1;2-1-3;2-1-5;..13.#...1 |
65bc0 | 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 31 | 9;1-2-1;1-1-3;2-2-1;2-1-3;2-1-11 |
65be0 | 3b 00 02 31 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 | ;..14.#...3;1-1-3;1-1-11;1-1-19; |
65c00 | 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 35 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 31 | 2-2-1;2-2-3;..15.....3;1-2-3;2-1 |
65c20 | 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 31 36 00 0f 00 00 00 33 3b 31 2d 32 2d | -3;2-1-11;2-1-19;..16.....3;1-2- |
65c40 | 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 31 2d 33 3b 32 | 3;2-2-3;..17.....3;1-2-3;2-1-3;2 |
65c60 | 2d 31 2d 31 31 3b 00 02 31 38 00 16 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d | -1-11;..18.....3;1-1-3;1-1-11;2- |
65c80 | 32 2d 33 3b 00 02 31 39 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d | 2-3;..19.....11;1-2-3;2-2-3;2-1- |
65ca0 | 31 39 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 30 00 56 ba 0c 34 2b 72 | 19;....dataset_ids......0.V..4+r |
65cc0 | ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 | .5o....1.V..:+r.5o....2.V..:+r.5 |
65ce0 | 6f 00 01 c3 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 | o....3.V..;+r.5o....4.V..<+r.5o. |
65d00 | 01 c6 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca | ...5.V..=+r.5o....6.V..>+r.5o... |
65d20 | 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 38 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 39 | .7.V..?+r.5o....8.V..@+r.5o....9 |
65d40 | 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 30 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d1 07 31 31 | .V..A+r.5o....10.V..B+r.5o....11 |
65d60 | 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 | .V..B+r.5o....12.V..C+r.5o.....f |
65d80 | 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 | eatures.:....56ba0c342b72ed356f0 |
65da0 | 30 30 30 30 30 00 1b 00 00 00 01 30 00 82 90 8c 6d fd 7a d6 3f 01 31 00 ca 96 e0 f7 34 75 b7 3f | 00000......0....m.z.?.1.....4u.? |
65dc0 | 00 00 02 73 6d 69 6c 65 73 00 26 00 00 00 46 63 31 63 63 63 28 63 63 31 29 43 28 3d 4f 29 43 43 | ...smiles.&...Fc1ccc(cc1)C(=O)CC |
65de0 | 43 4e 31 43 43 4e 28 43 43 31 29 63 31 63 63 63 63 6e 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 | CN1CCN(CC1)c1ccccn1..updated_at. |
65e00 | 7b ea bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 55 b8 bf c6 52 01 00 00 10 64 65 66 | {...R....created_at.U...R....def |
65e20 | 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 14 00 00 00 02 69 6e 63 68 69 | ault_fingerprint_size......inchi |
65e40 | 00 74 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 39 48 32 32 46 4e 33 4f 2f 63 32 30 2d 31 37 2d | .t...InChI=1S/C19H22FN3O/c20-17- |
65e60 | 38 2d 36 2d 31 36 28 37 2d 39 2d 31 37 29 31 38 28 32 34 29 34 2d 33 2d 31 31 2d 32 32 2d 31 32 | 8-6-16(7-9-17)18(24)4-3-11-22-12 |
65e80 | 2d 31 34 2d 32 33 28 31 35 2d 31 33 2d 32 32 29 31 39 2d 35 2d 31 2d 32 2d 31 30 2d 32 31 2d 31 | -14-23(15-13-22)19-5-1-2-10-21-1 |
65ea0 | 39 2f 68 31 2d 32 2c 35 2d 31 30 48 2c 33 2d 34 2c 31 31 2d 31 35 48 32 00 00 e9 06 00 00 07 5f | 9/h1-2,5-10H,3-4,11-15H2......._ |
65ec0 | 69 64 00 56 ba 0c 37 2b 72 ed 35 6f 00 01 b2 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 | id.V..7+r.5o....warnings.......f |
65ee0 | 69 6e 67 65 72 70 72 69 6e 74 73 00 75 04 00 00 04 4d 50 32 44 00 6a 04 00 00 02 30 00 0f 00 00 | ingerprints.u....MP2D.j....0.... |
65f00 | 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 31 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b 31 | .8;1-1-1;2-2-1;..1.....1;1-2-1;1 |
65f20 | 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 00 21 00 00 00 31 3b 31 2d 33 2d 31 | -1-8;2-3-1;2-1-2;..2.!...1;1-3-1 |
65f40 | 3b 32 2d 31 2d 31 3b 32 2d 33 2d 32 3b 32 2d 31 2d 35 3b 32 2d 32 2d 38 3b 00 02 33 00 27 00 00 | ;2-1-1;2-3-2;2-1-5;2-2-8;..3.'.. |
65f60 | 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 2d 31 2d 32 | .1;1-1-1;1-1-2;1-1-5;2-4-1;2-1-2 |
65f80 | 3b 32 2d 31 2d 39 3b 00 02 34 00 15 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 | ;2-1-9;..4.....5;1-3-1;2-1-1;2-1 |
65fa0 | 2d 32 3b 00 02 35 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 3b 00 02 36 00 27 00 00 | -2;..5.....1;1-1-5;2-2-1;..6.'.. |
65fc0 | 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 32 | .2;1-1-1;1-1-2;1-1-9;2-1-1;2-2-2 |
65fe0 | 3b 32 2d 31 2d 35 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 | ;2-1-5;..7.....9;1-1-2;2-1-1;2-1 |
66000 | 2d 32 3b 00 02 38 00 1c 00 00 00 32 3b 31 2d 33 2d 32 3b 32 2d 32 2d 31 3b 32 2d 33 2d 39 3b 32 | -2;..8.....2;1-3-2;2-2-1;2-3-9;2 |
66020 | 2d 31 2d 31 39 3b 00 02 39 00 1c 00 00 00 32 3b 31 2d 31 2d 32 3b 31 2d 31 2d 39 3b 31 2d 31 2d | -1-19;..9.....2;1-1-2;1-1-9;1-1- |
66040 | 31 39 3b 32 2d 32 2d 32 3b 00 02 31 30 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b | 19;2-2-2;..10.....9;1-1-2;2-1-2; |
66060 | 32 2d 31 2d 31 39 3b 00 02 31 31 00 16 00 00 00 31 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 | 2-1-19;..11.....19;1-1-2;2-1-2;2 |
66080 | 2d 31 2d 39 3b 00 02 31 32 00 27 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d | -1-9;..12.'...2;1-1-1;1-1-2;1-1- |
660a0 | 39 3b 32 2d 31 2d 31 3b 32 2d 33 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 33 00 27 00 00 00 31 3b 31 | 9;2-1-1;2-3-2;2-1-8;..13.'...1;1 |
660c0 | 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 2d 32 3b 32 2d 32 | -1-1;1-2-2;1-1-8;2-2-1;2-2-2;2-2 |
660e0 | 2d 39 3b 00 02 31 34 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 | -9;..14.....8;1-1-1;2-1-1;2-2-2; |
66100 | 00 02 31 35 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 | ..15.'...2;1-1-1;1-1-2;1-1-9;2-2 |
66120 | 2d 31 3b 32 2d 32 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 36 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b | -1;2-2-2;2-1-8;..16.!...2;1-1-1; |
66140 | 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 31 37 00 27 00 00 | 1-2-2;2-3-1;2-1-3;2-2-9;..17.'.. |
66160 | 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 2d 31 2d 32 | .2;1-1-2;1-1-3;1-1-9;2-1-1;2-1-2 |
66180 | 3b 32 2d 32 2d 33 3b 00 02 31 38 00 15 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 32 3b 32 2d | ;2-2-3;..18.....9;1-1-2;2-1-2;2- |
661a0 | 31 2d 33 3b 00 02 31 39 00 2d 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d 33 3b 32 2d 31 2d 31 | 1-3;..19.-...3;1-1-2;1-2-3;2-1-1 |
661c0 | 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 30 00 2e 00 | ;2-1-2;2-2-3;2-1-8;2-1-9;..20... |
661e0 | 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 32 2d 32 2d | ..3;1-1-1;1-2-3;2-2-1;2-1-2;2-2- |
66200 | 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 31 35 3b 00 02 32 31 00 27 00 00 00 31 3b 31 2d 32 2d 31 3b | 3;2-1-8;2-1-15;..21.'...1;1-2-1; |
66220 | 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 33 3b 00 02 | 1-1-3;1-1-8;2-1-1;2-1-2;2-2-3;.. |
66240 | 32 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 32 2d 32 | 22.'...1;1-2-1;1-1-2;2-2-1;2-2-2 |
66260 | 3b 32 2d 31 2d 33 3b 32 2d 32 2d 38 3b 00 02 32 33 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d | ;2-1-3;2-2-8;..23.....1;1-1-1;2- |
66280 | 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 34 00 15 00 00 00 38 3b 31 2d 31 2d 31 | 1-1;2-1-3;2-1-8;..24.....8;1-1-1 |
662a0 | 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 35 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | ;2-2-1;2-1-3;..25.....3;1-2-3;1- |
662c0 | 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 36 00 10 00 00 00 31 35 3b 31 2d 31 | 1-15;2-1-1;2-2-3;..26.....15;1-1 |
662e0 | 2d 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 | -3;2-2-3;..27.....3;1-2-3;2-2-3; |
66300 | 32 2d 31 2d 31 35 3b 00 02 32 38 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d | 2-1-15;..28.....3;1-2-3;2-2-3;2- |
66320 | 31 2d 38 3b 00 02 32 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 | 1-8;..29.....3;1-2-3;1-1-8;2-1-2 |
66340 | 3b 32 2d 32 2d 33 3b 00 02 33 30 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 00 | ;2-2-3;..30.....8;1-1-3;2-2-3;.. |
66360 | 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 | ..dataset_ids......0.V..4+r.5o.. |
66380 | 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 | ..1.V..:+r.5o....2.V..;+r.5o.... |
663a0 | 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 | 3.V..<+r.5o....4.V..=+r.5o....5. |
663c0 | 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba | V..>+r.5o....6.V..?+r.5o....7.V. |
663e0 | 0c 40 2b 72 ed 35 6f 00 01 cd 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 | .@+r.5o....8.V..A+r.5o....9.V..B |
66400 | 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 | +r.5o....10.V..C+r.5o.....featur |
66420 | 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 | es./....56ba0c342b72ed356f000000 |
66440 | 00 10 00 00 00 01 30 00 98 3b 1d 96 e6 03 25 40 00 00 02 73 6d 69 6c 65 73 00 4b 00 00 00 4f 43 | ......0..;....%@...smiles.K...OC |
66460 | 31 43 32 43 28 4e 28 43 29 43 29 43 28 3d 4f 29 43 28 3d 43 28 4f 29 4e 29 43 28 3d 4f 29 43 32 | 1C2C(N(C)C)C(=O)C(=C(O)N)C(=O)C2 |
66480 | 28 4f 29 43 28 3d 4f 29 43 32 3d 43 28 4f 29 63 33 63 28 43 28 43 31 32 29 28 43 29 4f 29 63 28 | (O)C(=O)C2=C(O)c3c(C(C12)(C)O)c( |
664a0 | 43 6c 29 63 63 63 33 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 da e9 bf c6 52 01 00 00 09 63 72 | Cl)ccc3O..updated_at.....R....cr |
664c0 | 65 61 74 65 64 5f 61 74 00 5c b8 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at.\...R....default_finger |
664e0 | 70 72 69 6e 74 5f 73 69 7a 65 00 1f 00 00 00 02 69 6e 63 68 69 00 a8 00 00 00 49 6e 43 68 49 3d | print_size......inchi.....InChI= |
66500 | 31 53 2f 43 32 32 48 32 33 43 6c 4e 32 4f 39 2f 63 31 2d 32 31 28 33 33 29 31 31 2d 36 28 32 33 | 1S/C22H23ClN2O9/c1-21(33)11-6(23 |
66520 | 29 34 2d 35 2d 37 28 32 36 29 38 28 31 31 29 31 35 28 32 37 29 39 2d 31 32 28 32 31 29 31 37 28 | )4-5-7(26)8(11)15(27)9-12(21)17( |
66540 | 32 39 29 31 33 2d 31 34 28 32 35 28 32 29 33 29 31 36 28 32 38 29 31 30 28 32 30 28 32 34 29 33 | 29)13-14(25(2)3)16(28)10(20(24)3 |
66560 | 32 29 31 39 28 33 31 29 32 32 28 31 33 2c 33 34 29 31 38 28 39 29 33 30 2f 68 34 2d 35 2c 31 32 | 2)19(31)22(13,34)18(9)30/h4-5,12 |
66580 | 2d 31 34 2c 31 37 2c 32 36 2d 32 37 2c 32 39 2c 33 32 2d 33 34 48 2c 32 34 48 32 2c 31 2d 33 48 | -14,17,26-27,29,32-34H,24H2,1-3H |
665a0 | 33 00 00 9f 05 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 ed 35 6f 00 01 b3 04 77 61 72 6e 69 6e 67 | 3......._id.V..7+r.5o....warning |
665c0 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 59 03 00 00 04 4d 50 32 44 00 4e | s.......fingerprints.Y....MP2D.N |
665e0 | 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 15 00 00 00 | ....0.....7;1-1-4;2-1-1;..1..... |
66600 | 34 3b 31 2d 31 2d 31 3b 31 2d 31 2d 37 3b 32 2d 32 2d 33 3b 00 02 32 00 1b 00 00 00 31 3b 31 2d | 4;1-1-1;1-1-7;2-2-3;..2.....1;1- |
66620 | 32 2d 33 3b 31 2d 31 2d 34 3b 32 2d 34 2d 33 3b 32 2d 31 2d 37 3b 00 02 33 00 22 00 00 00 33 3b | 2-3;1-1-4;2-4-3;2-1-7;..3."...3; |
66640 | 31 2d 31 2d 31 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 34 3b 32 2d 31 2d 31 35 3b 00 | 1-1-1;1-2-3;2-3-3;2-1-4;2-1-15;. |
66660 | 02 34 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 35 00 1c | .4.....3;1-2-3;2-2-1;2-2-3;..5.. |
66680 | 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 32 38 3b 00 02 | ...3;1-1-1;1-2-3;2-2-3;2-1-28;.. |
666a0 | 36 00 0f 00 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 37 00 22 00 00 00 33 3b 31 2d | 6.....1;1-1-3;2-2-3;..7."...3;1- |
666c0 | 32 2d 33 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 00 02 38 | 2-3;1-1-28;2-1-1;2-1-2;2-2-3;..8 |
666e0 | 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 32 38 | .....3;1-2-3;2-2-3;2-1-15;2-1-28 |
66700 | 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 31 3b 32 2d | ;..9.....3;1-2-3;1-1-15;2-1-1;2- |
66720 | 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 |
66740 | 00 1c 00 00 00 32 38 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 | .....28;1-1-2;1-1-3;2-3-3;2-1-9; |
66760 | 00 02 31 32 00 1c 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 | ..12.....2;1-1-3;1-1-9;1-1-28;2- |
66780 | 33 2d 33 3b 00 02 31 33 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 32 | 3-3;..13.....9;1-1-2;2-1-3;2-1-2 |
667a0 | 38 3b 00 02 31 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 | 8;..14.(...3;1-1-2;1-2-3;2-2-3;2 |
667c0 | 2d 31 2d 38 3b 32 2d 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 02 31 35 00 1c 00 00 00 33 3b 31 2d 32 | -1-8;2-1-9;2-1-28;..15.....3;1-2 |
667e0 | 2d 33 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 37 3b 00 02 31 36 00 16 00 00 00 33 | -3;2-1-2;2-2-3;2-1-17;..16.....3 |
66800 | 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 37 3b 32 2d 32 2d 33 3b 00 02 31 37 00 10 00 00 00 31 37 3b | ;1-2-3;1-1-17;2-2-3;..17.....17; |
66820 | 31 2d 31 2d 33 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 32 | 1-1-3;2-2-3;..18.....3;1-2-3;2-2 |
66840 | 2d 33 3b 32 2d 32 2d 31 37 3b 00 02 31 39 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | -3;2-2-17;..19.....3;1-2-3;1-1-1 |
66860 | 37 3b 32 2d 32 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 30 00 22 00 00 00 33 3b 31 2d 32 2d 33 3b 31 | 7;2-2-3;2-1-8;..20."...3;1-2-3;1 |
66880 | 2d 31 2d 38 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 37 3b 00 02 32 31 00 0f 00 00 | -1-8;2-1-2;2-2-3;2-1-17;..21.... |
668a0 | 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 32 00 1b 00 00 00 33 3b 31 2d 31 2d 31 3b | .8;1-1-3;2-2-3;..22.....3;1-1-1; |
668c0 | 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 34 3b 00 02 32 33 00 15 00 00 00 33 3b 31 2d 32 | 1-2-3;2-3-3;2-1-4;..23.....3;1-2 |
668e0 | 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 34 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | -3;2-1-1;2-2-3;..24.....3;1-2-3; |
66900 | 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 31 2d | 2-2-3;2-1-15;..25.....3;1-2-3;1- |
66920 | 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 | 1-15;2-2-3;....dataset_ids...... |
66940 | 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 | 0.V..4+r.5o....1.V..:+r.5o....2. |
66960 | 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba | V..;+r.5o....3.V..<+r.5o....4.V. |
66980 | 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f | .=+r.5o....5.V..>+r.5o....6.V..? |
669a0 | 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 | +r.5o....7.V..@+r.5o....8.V..A+r |
669c0 | ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed | .5o....9.V..B+r.5o....10.V..C+r. |
669e0 | 35 6f 00 01 d3 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 | 5o.....features./....56ba0c342b7 |
66a00 | 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 b3 f9 4c 1c ef e2 8e 3f 00 00 02 | 2ed356f000000......0...L....?... |
66a20 | 73 6d 69 6c 65 73 00 37 00 00 00 4e 23 43 43 28 63 31 63 63 28 43 29 63 28 63 63 31 43 6c 29 4e | smiles.7...N#CC(c1cc(C)c(cc1Cl)N |
66a40 | 43 28 3d 4f 29 63 31 63 63 28 49 29 63 63 28 63 31 4f 29 49 29 63 31 63 63 63 28 63 63 31 29 43 | C(=O)c1cc(I)cc(c1O)I)c1ccc(cc1)C |
66a60 | 6c 00 09 75 70 64 61 74 65 64 5f 61 74 00 7f e6 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 | l..updated_at.....R....created_a |
66a80 | 74 00 63 b8 bf c6 52 01 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.c...R....default_fingerprint_s |
66aa0 | 69 7a 65 00 1a 00 00 00 02 69 6e 63 68 69 00 8e 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 32 48 | ize......inchi.....InChI=1S/C22H |
66ac0 | 31 34 43 6c 32 49 32 4e 32 4f 32 2f 63 31 2d 31 31 2d 36 2d 31 35 28 31 37 28 31 30 2d 32 37 29 | 14Cl2I2N2O2/c1-11-6-15(17(10-27) |
66ae0 | 31 32 2d 32 2d 34 2d 31 33 28 32 33 29 35 2d 33 2d 31 32 29 31 38 28 32 34 29 39 2d 32 30 28 31 | 12-2-4-13(23)5-3-12)18(24)9-20(1 |
66b00 | 31 29 32 38 2d 32 32 28 33 30 29 31 36 2d 37 2d 31 34 28 32 35 29 38 2d 31 39 28 32 36 29 32 31 | 1)28-22(30)16-7-14(25)8-19(26)21 |
66b20 | 28 31 36 29 32 39 2f 68 32 2d 39 2c 31 37 2c 32 39 48 2c 31 48 33 2c 28 48 2c 32 38 2c 33 30 29 | (16)29/h2-9,17,29H,1H3,(H,28,30) |
66b40 | 00 00 80 05 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 ed 35 6f 00 01 b4 04 77 61 72 6e 69 6e 67 73 | ......._id.V..7+r.5o....warnings |
66b60 | 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 4d 50 32 44 00 38 03 | .......fingerprints.C....MP2D.8. |
66b80 | 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 35 | ...0.....1;1-1-5;2-2-1;..1.....5 |
66ba0 | 3b 31 2d 33 2d 31 3b 32 2d 33 2d 31 3b 00 02 32 00 1c 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 | ;1-3-1;2-3-1;..2.....1;1-1-1;1-1 |
66bc0 | 2d 35 3b 32 2d 33 2d 31 3b 32 2d 31 2d 31 39 3b 00 02 33 00 22 00 00 00 31 3b 31 2d 32 2d 31 3b | -5;2-3-1;2-1-19;..3."...1;1-2-1; |
66be0 | 31 2d 31 2d 31 39 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 35 3b 00 02 34 00 1c 00 00 | 1-1-19;2-2-1;2-1-3;2-1-5;..4.... |
66c00 | 00 31 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 35 3b 32 2d 31 2d 31 39 3b 00 02 35 00 | .1;1-2-1;2-2-1;2-1-5;2-1-19;..5. |
66c20 | 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 35 3b 32 2d 33 2d 31 3b 32 2d 31 2d 31 39 3b 00 | ....1;1-2-1;1-1-5;2-3-1;2-1-19;. |
66c40 | 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 2d 31 3b 32 2d 31 2d | .6."...1;1-1-1;1-1-19;2-2-1;2-1- |
66c60 | 33 3b 32 2d 31 2d 35 3b 00 02 37 00 1c 00 00 00 31 39 3b 31 2d 32 2d 31 3b 31 2d 31 2d 33 3b 32 | 3;2-1-5;..7.....19;1-2-1;1-1-3;2 |
66c80 | 2d 33 2d 31 3b 32 2d 32 2d 33 3b 00 02 38 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 | -3-1;2-2-3;..8.#...3;1-2-3;1-1-1 |
66ca0 | 39 3b 32 2d 32 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 | 9;2-2-1;2-2-3;2-1-16;..9.....3;1 |
66cc0 | 2d 32 2d 33 3b 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 | -2-3;2-2-3;2-1-11;2-1-19;..10... |
66ce0 | 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 00 02 31 | ..3;1-2-3;1-1-11;2-1-1;2-4-3;..1 |
66d00 | 31 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 31 | 1.....3;1-3-3;2-3-3;2-1-9;2-1-11 |
66d20 | 3b 00 02 31 32 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 | ;..12.....3;1-2-3;2-3-3;2-1-16;. |
66d40 | 02 31 33 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 3b 32 2d 31 | .13.....3;1-2-3;1-1-16;2-2-3;2-1 |
66d60 | 2d 31 39 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 02 31 35 | -19;..14.....16;1-1-3;2-2-3;..15 |
66d80 | 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 2d 33 3b 00 | .....3;1-2-3;1-1-9;2-1-2;2-3-3;. |
66da0 | 02 31 36 00 0f 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 | .16.....9;1-1-3;2-2-3;..17.)...3 |
66dc0 | 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 31 3b | ;1-1-2;1-2-3;2-1-3;2-1-9;2-1-11; |
66de0 | 32 2d 32 2d 33 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 | 2-2-32;..18."...3;1-1-3;1-1-11;2 |
66e00 | 2d 31 2d 31 3b 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 | -1-1;2-1-2;2-2-3;..19.....11;1-1 |
66e20 | 2d 31 3b 31 2d 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 | -1;1-2-3;2-2-1;2-3-3;..20.....1; |
66e40 | 31 2d 32 2d 31 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 | 1-2-1;1-1-11;2-2-1;2-2-3;..21... |
66e60 | 00 00 31 3b 31 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 | ..1;1-2-1;2-2-1;2-1-11;..22..... |
66e80 | 32 3b 31 2d 31 2d 33 3b 31 2d 32 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 32 33 00 17 00 00 00 33 32 | 2;1-1-3;1-2-32;2-2-3;..23.....32 |
66ea0 | 3b 31 2d 31 2d 32 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f | ;1-1-2;2-1-3;2-1-32;....dataset_ |
66ec0 | 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 | ids......0.V..4+r.5o....1.V..:+r |
66ee0 | ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 | .5o....2.V..;+r.5o....3.V..<+r.5 |
66f00 | 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 | o....4.V..=+r.5o....5.V..>+r.5o. |
66f20 | 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cb 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce | ...6.V..?+r.5o....7.V..@+r.5o... |
66f40 | 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 | .8.V..A+r.5o....9.V..B+r.5o....1 |
66f60 | 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 | 0.V..C+r.5o.....features./....56 |
66f80 | 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 f2 2d | ba0c342b72ed356f000000......0..- |
66fa0 | f2 c5 7d e8 c1 3f 00 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 | ..}..?...smiles./...CN1CC2CC1CN2 |
66fc0 | 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 43 31 29 43 28 3d 4f | c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O |
66fe0 | 29 4f 00 09 75 70 64 61 74 65 64 5f 61 74 00 90 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f | )O..updated_at.....R....created_ |
67000 | 61 74 00 6a b8 bf c6 52 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.j...R....default_fingerprint_ |
67020 | 73 69 7a 65 00 18 00 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 | size......inchi.....InChI=1S/C19 |
67040 | 48 32 30 46 4e 33 4f 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 | H20FN3O3/c1-21-7-12-4-11(21)8-22 |
67060 | 28 31 32 29 31 37 2d 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 | (12)17-6-16-13(5-15(17)20)18(24) |
67080 | 31 34 28 31 39 28 32 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 | 14(19(25)26)9-23(16)10-2-3-10/h5 |
670a0 | 2d 36 2c 39 2d 31 32 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 | -6,9-12H,2-4,7-8H2,1H3,(H,25,26) |
670c0 | 00 00 5a 05 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 ed 35 6f 00 01 b5 04 77 61 72 6e 69 6e 67 73 | ..Z...._id.V..7+r.5o....warnings |
670e0 | 00 05 00 00 00 00 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 | .......fingerprints......MP2D... |
67100 | 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 15 00 00 00 34 | ...0.....7;1-1-4;2-1-1;..1.....4 |
67120 | 3b 31 2d 31 2d 31 3b 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 | ;1-1-1;1-1-7;2-2-3;..2.....1;1-2 |
67140 | 2d 33 3b 31 2d 31 2d 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 | -3;1-1-4;2-4-3;2-1-7;..3."...3;1 |
67160 | 2d 31 2d 31 3b 31 2d 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 | -1-1;1-2-3;2-3-3;2-1-4;2-2-15;.. |
67180 | 34 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 33 | 4.....3;1-2-3;1-1-15;2-1-1;2-2-3 |
671a0 | 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 16 00 00 00 | ;..5.....15;1-1-3;2-2-3;..6..... |
671c0 | 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 16 00 00 00 33 3b 31 | 3;1-2-3;2-2-3;2-1-15;..7.....3;1 |
671e0 | 2d 32 2d 33 3b 32 2d 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 | -2-3;2-2-3;2-1-11;..8.$...3;1-2- |
67200 | 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 35 3b 00 02 39 | 3;1-1-11;2-3-3;2-1-11;2-1-15;..9 |
67220 | 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 35 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b | .#...3;1-2-3;1-1-15;2-1-1;2-2-3; |
67240 | 32 2d 31 2d 31 31 3b 00 02 31 30 00 24 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 31 3b | 2-1-11;..10.$...11;1-2-3;1-1-11; |
67260 | 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 31 31 00 17 00 00 00 31 31 3b 31 | 2-3-3;2-1-9;2-1-11;..11.....11;1 |
67280 | 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 33 2d 33 3b 00 02 31 32 00 1d 00 00 00 33 3b 31 2d 31 | -1-3;1-1-11;2-3-3;..12.....3;1-1 |
672a0 | 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 39 3b 32 2d 32 2d 31 31 3b 00 02 31 33 00 2a 00 00 00 | -3;1-1-11;2-1-9;2-2-11;..13.*... |
672c0 | 33 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 | 3;1-1-3;1-1-9;1-1-11;2-1-3;2-1-1 |
672e0 | 31 3b 32 2d 31 2d 31 33 3b 00 02 31 34 00 16 00 00 00 39 3b 31 2d 31 2d 33 3b 32 2d 31 2d 33 3b | 1;2-1-13;..14.....9;1-1-3;2-1-3; |
67300 | 32 2d 31 2d 31 31 3b 00 02 31 35 00 24 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b | 2-1-11;..15.$...11;1-2-3;1-1-13; |
67320 | 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 31 36 00 11 00 00 00 31 33 3b 31 | 2-1-3;2-2-9;2-1-11;..16.....13;1 |
67340 | 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 31 37 00 24 00 00 00 33 3b 31 2d 31 2d 39 3b 31 2d 32 | -1-11;2-2-3;..17.$...3;1-1-9;1-2 |
67360 | 2d 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 38 00 10 00 00 | -11;2-2-3;2-1-11;2-1-13;..18.... |
67380 | 00 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 02 31 39 00 1b 00 00 00 33 3b 31 2d 31 2d 31 | .9;1-1-3;2-2-11;..19.....3;1-1-1 |
673a0 | 3b 31 2d 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 34 3b 00 02 32 30 00 15 00 00 00 33 3b 31 2d | ;1-2-3;2-3-3;2-1-4;..20.....3;1- |
673c0 | 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 32 31 00 16 00 00 00 33 3b 31 2d 32 2d 33 | 2-3;2-1-1;2-2-3;..21.....3;1-2-3 |
673e0 | 3b 31 2d 31 2d 31 35 3b 32 2d 32 2d 33 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 | ;1-1-15;2-2-3;....dataset_ids... |
67400 | 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 | ...0.V..4+r.5o....1.V..:+r.5o... |
67420 | 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 34 | .2.V..:+r.5o....3.V..;+r.5o....4 |
67440 | 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 | .V..<+r.5o....5.V..=+r.5o....6.V |
67460 | ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 37 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 38 00 56 ba 0c | ..>+r.5o....7.V..?+r.5o....8.V.. |
67480 | 40 2b 72 ed 35 6f 00 01 ce 07 39 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 31 30 00 56 ba 0c 42 | @+r.5o....9.V..A+r.5o....10.V..B |
674a0 | 2b 72 ed 35 6f 00 01 d2 07 31 31 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d3 07 31 32 00 56 ba 0c 43 | +r.5o....11.V..C+r.5o....12.V..C |
674c0 | 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 | +r.5o.....features.:....56ba0c34 |
674e0 | 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 b8 a3 76 73 1a d7 a2 3f | 2b72ed356f000000......0...vs...? |
67500 | 01 31 00 6f 61 2d d3 6c e3 ac 3f 00 00 02 73 6d 69 6c 65 73 00 34 00 00 00 4e 23 43 43 28 63 31 | .1.oa-.l..?...smiles.4...N#CC(c1 |
67520 | 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 5d 63 31 3d 4f 29 | c(Cl)ccc(c1Cl)n1ncc(=O)[nH]c1=O) |
67540 | 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 7f e8 bf c6 52 01 00 | c1ccc(cc1)Cl..updated_at.....R.. |
67560 | 00 09 63 72 65 61 74 65 64 5f 61 74 00 70 b8 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 | ..created_at.p...R....default_fi |
67580 | 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 16 00 00 00 02 69 6e 63 68 69 00 7d 00 00 00 49 6e | ngerprint_size......inchi.}...In |
675a0 | 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 2d 33 2d 31 2d 39 | ChI=1S/C17H9Cl3N4O2/c18-10-3-1-9 |
675c0 | 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 2d 36 2d 31 33 28 | (2-4-10)11(7-21)15-12(19)5-6-13( |
675e0 | 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 29 38 2d 32 32 2d | 16(15)20)24-17(26)23-14(25)8-22- |
67600 | 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 00 00 53 03 00 00 | 24/h1-6,8,11H,(H,23,25,26)..S... |
67620 | 07 5f 69 64 00 56 ba 0c 37 2b 72 ed 35 6f 00 01 b6 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 | ._id.V..7+r.5o....warnings...... |
67640 | 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 00 00 02 30 00 17 | .fingerprints......MP2D.{....0.. |
67660 | 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 24 00 00 | ...32;1-1-19;2-1-3;2-1-9;..1.$.. |
67680 | 00 31 39 3b 31 2d 31 2d 33 3b 31 2d 31 2d 39 3b 31 2d 31 2d 33 32 3b 32 2d 31 2d 33 3b 32 2d 31 | .19;1-1-3;1-1-9;1-1-32;2-1-3;2-1 |
676a0 | 2d 31 31 3b 00 02 32 00 17 00 00 00 39 3b 31 2d 31 2d 31 39 3b 32 2d 31 2d 33 3b 32 2d 31 2d 33 | -11;..2.....9;1-1-19;2-1-3;2-1-3 |
676c0 | 32 3b 00 02 33 00 37 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 31 2d 31 2d 31 39 3b | 2;..3.7...3;1-1-3;1-1-11;1-1-19; |
676e0 | 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 33 32 3b | 2-1-1;2-1-3;2-1-9;2-1-11;2-1-32; |
67700 | 00 02 34 00 24 00 00 00 33 3b 31 2d 31 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 33 3b 32 2d 31 | ..4.$...3;1-1-3;1-1-11;2-1-3;2-1 |
67720 | 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 33 3b 32 2d 31 2d | -11;2-1-19;..5.....11;1-2-3;2-1- |
67740 | 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 2d 31 2d 31 3b 31 | 1;2-1-3;2-1-11;..6.....3;1-1-1;1 |
67760 | 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 31 31 3b 31 2d 31 | -2-11;2-1-1;2-2-3;..7.*...11;1-1 |
67780 | 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- |
677a0 | 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 00 02 39 00 10 00 | 19;..8.....1;1-1-11;2-2-3;..9... |
677c0 | 00 00 31 3b 31 2d 31 2d 33 3b 32 2d 32 2d 31 31 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 | ..1;1-1-3;2-2-11;....dataset_ids |
677e0 | 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f | ......0.V..4+r.5o....1.V..:+r.5o |
67800 | 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 | ....2.V..:+r.5o....3.V..<+r.5o.. |
67820 | c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 | ..4.V..=+r.5o....5.V..>+r.5o.... |
67840 | 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 | 6.V..?+r.5o....7.V..@+r.5o....8. |
67860 | 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 | V..A+r.5o....9.V..B+r.5o....10.V |
67880 | ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 | ..C+r.5o.....features./....56ba0 |
678a0 | 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 53 03 88 ae 97 | c342b72ed356f000000......0.S.... |
678c0 | 35 bb 3f 00 00 02 73 6d 69 6c 65 73 00 18 00 00 00 5b 4f 2d 5d 5b 4e 2b 5d 28 3d 4f 29 63 31 63 | 5.?...smiles.....[O-][N+](=O)c1c |
678e0 | 6e 63 28 6e 31 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 ba e8 bf c6 52 01 00 00 09 63 72 | nc(n1C)C..updated_at.....R....cr |
67900 | 65 61 74 65 64 5f 61 74 00 76 b8 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 | eated_at.v...R....default_finger |
67920 | 70 72 69 6e 74 5f 73 69 7a 65 00 0a 00 00 00 02 69 6e 63 68 69 00 34 00 00 00 49 6e 43 68 49 3d | print_size......inchi.4...InChI= |
67940 | 31 53 2f 43 35 48 37 4e 33 4f 32 2f 63 31 2d 34 2d 36 2d 33 2d 35 28 37 28 34 29 32 29 38 28 39 | 1S/C5H7N3O2/c1-4-6-3-5(7(4)2)8(9 |
67960 | 29 31 30 2f 68 33 48 2c 31 2d 32 48 33 00 00 20 05 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 ed 35 | )10/h3H,1-2H3......._id.V..7+r.5 |
67980 | 6f 00 01 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 69 6e 74 73 | o....warnings.......fingerprints |
679a0 | 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 3b 32 2d | ......MP2D......0.....1;1-1-1;2- |
679c0 | 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 32 2d 31 3b | 1-5;..1.....1;1-1-1;1-1-5;2-2-1; |
679e0 | 00 02 32 00 0f 00 00 00 35 3b 31 2d 33 2d 31 3b 32 2d 33 2d 31 3b 00 02 33 00 1c 00 00 00 31 3b | ..2.....5;1-3-1;2-3-1;..3.....1; |
67a00 | 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 34 00 22 00 00 | 1-1-1;1-1-5;2-2-1;2-1-19;..4.".. |
67a20 | 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 2d | .1;1-1-1;1-1-19;2-1-1;2-1-3;2-1- |
67a40 | 35 3b 00 02 35 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;..5.....19;1-2-1;1-1-3;2-2-1;2 |
67a60 | 2d 32 2d 33 3b 00 02 36 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 39 3b 32 2d 32 2d | -2-3;..6.#...3;1-2-3;1-1-19;2-2- |
67a80 | 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 37 00 1d 00 00 00 33 3b 31 2d 32 2d 33 3b 32 | 1;2-2-3;2-1-16;..7.....3;1-2-3;2 |
67aa0 | 2d 32 2d 33 3b 32 2d 31 2d 31 31 3b 32 2d 31 2d 31 39 3b 00 02 38 00 1c 00 00 00 33 3b 31 2d 32 | -2-3;2-1-11;2-1-19;..8.....3;1-2 |
67ac0 | 2d 33 3b 31 2d 31 2d 31 31 3b 32 2d 31 2d 31 3b 32 2d 34 2d 33 3b 00 02 39 00 1c 00 00 00 33 3b | -3;1-1-11;2-1-1;2-4-3;..9.....3; |
67ae0 | 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 30 00 16 00 | 1-3-3;2-3-3;2-1-9;2-1-11;..10... |
67b00 | 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 31 00 1d 00 00 00 | ..3;1-2-3;2-3-3;2-1-16;..11..... |
67b20 | 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 02 31 32 | 3;1-2-3;1-1-16;2-2-3;2-1-19;..12 |
67b40 | 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 1b 00 00 00 33 3b 31 | .....16;1-1-3;2-2-3;..13.....3;1 |
67b60 | 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 34 00 0f 00 00 00 | -2-3;1-1-9;2-1-2;2-3-3;..14..... |
67b80 | 39 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 35 00 29 00 00 00 33 3b 31 2d 31 2d 32 3b 31 | 9;1-1-3;2-2-3;..15.)...3;1-1-2;1 |
67ba0 | 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;. |
67bc0 | 02 31 36 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 2d 31 | .16."...3;1-1-3;1-1-11;2-1-1;2-1 |
67be0 | 2d 32 3b 32 2d 32 2d 33 3b 00 02 31 37 00 1c 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 | -2;2-2-3;..17.....11;1-1-1;1-2-3 |
67c00 | 3b 32 2d 32 2d 31 3b 32 2d 33 2d 33 3b 00 02 31 38 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d | ;2-2-1;2-3-3;..18.....1;1-2-1;1- |
67c20 | 31 2d 31 31 3b 32 2d 32 2d 31 3b 32 2d 32 2d 33 3b 00 02 31 39 00 16 00 00 00 31 3b 31 2d 32 2d | 1-11;2-2-1;2-2-3;..19.....1;1-2- |
67c40 | 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 31 31 3b 00 02 32 30 00 16 00 00 00 32 3b 31 2d 31 2d 33 3b | 1;2-2-1;2-1-11;..20.....2;1-1-3; |
67c60 | 31 2d 32 2d 33 32 3b 32 2d 32 2d 33 3b 00 02 32 31 00 17 00 00 00 33 32 3b 31 2d 31 2d 32 3b 32 | 1-2-32;2-2-3;..21.....32;1-1-2;2 |
67c80 | 2d 31 2d 33 3b 32 2d 31 2d 33 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 | -1-3;2-1-32;....dataset_ids..... |
67ca0 | 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 | .0.V..4+r.5o....1.V..:+r.5o....2 |
67cc0 | 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 | .V..:+r.5o....3.V..<+r.5o....4.V |
67ce0 | ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c | ..=+r.5o....5.V..>+r.5o....6.V.. |
67d00 | 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b | ?+r.5o....7.V..@+r.5o....8.V..A+ |
67d20 | 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 | r.5o....9.V..B+r.5o....10.V..C+r |
67d40 | ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 | .5o.....features./....56ba0c342b |
67d60 | 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 88 48 b6 a3 20 85 b2 3f 00 00 | 72ed356f000000......0..H.....?.. |
67d80 | 02 73 6d 69 6c 65 73 00 2f 00 00 00 43 43 4e 31 43 43 4e 28 43 43 31 29 63 31 63 63 32 63 28 63 | .smiles./...CCN1CCN(CC1)c1cc2c(c |
67da0 | 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 61 | c1F)c(=O)c(cn2C1CC1)C(=O)O..upda |
67dc0 | 74 65 64 5f 61 74 00 76 e8 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 7c b8 bf c6 52 | ted_at.v...R....created_at.|...R |
67de0 | 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 16 00 00 | ....default_fingerprint_size.... |
67e00 | 00 02 69 6e 63 68 69 00 82 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 39 48 32 32 46 4e 33 4f 33 | ..inchi.....InChI=1S/C19H22FN3O3 |
67e20 | 2f 63 31 2d 32 2d 32 31 2d 35 2d 37 2d 32 32 28 38 2d 36 2d 32 31 29 31 37 2d 31 30 2d 31 36 2d | /c1-2-21-5-7-22(8-6-21)17-10-16- |
67e40 | 31 33 28 39 2d 31 35 28 31 37 29 32 30 29 31 38 28 32 34 29 31 34 28 31 39 28 32 35 29 32 36 29 | 13(9-15(17)20)18(24)14(19(25)26) |
67e60 | 31 31 2d 32 33 28 31 36 29 31 32 2d 33 2d 34 2d 31 32 2f 68 39 2d 31 32 48 2c 32 2d 38 48 32 2c | 11-23(16)12-3-4-12/h9-12H,2-8H2, |
67e80 | 31 48 33 2c 28 48 2c 32 35 2c 32 36 29 00 00 f5 09 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 ed 35 | 1H3,(H,25,26)......._id.V..7+r.5 |
67ea0 | 6f 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 70 72 69 6e 74 73 | o....warnings.......fingerprints |
67ec0 | 00 ad 06 00 00 04 4d 50 32 44 00 a2 06 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d | ......MP2D......0.....1;1-1-8;2- |
67ee0 | 31 2d 31 3b 00 02 31 00 0f 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 00 1b 00 | 1-1;..1.....8;1-2-1;2-2-1;..2... |
67f00 | 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 38 3b 00 02 33 00 | ..1;1-2-1;1-1-8;2-3-1;2-1-8;..3. |
67f20 | 15 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 33 2d 38 3b 00 02 34 00 15 00 00 00 | ....1;1-2-1;2-1-1;2-3-8;..4..... |
67f40 | 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 38 3b 32 2d 33 2d 31 3b 00 02 35 00 1b 00 00 00 38 3b 31 2d | 1;1-1-1;1-2-8;2-3-1;..5.....8;1- |
67f60 | 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 21 00 00 00 31 3b | 2-1;2-2-1;2-1-2;2-1-8;..6.!...1; |
67f80 | 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 31 2d 38 3b 32 2d 33 2d 31 3b 32 2d 32 2d 32 3b 00 02 | 1-1-1;1-1-2;1-1-8;2-3-1;2-2-2;.. |
67fa0 | 37 00 1b 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 31 2d 38 3b | 7.....1;1-2-1;1-1-2;2-2-2;2-1-8; |
67fc0 | 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 32 3b 00 02 39 00 | ..8.....1;1-1-1;2-1-1;2-1-2;..9. |
67fe0 | 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 32 3b 00 02 | ....2;1-1-1;1-1-2;2-2-1;2-1-2;.. |
68000 | 31 30 00 15 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 31 00 | 10.....2;1-2-2;2-1-1;2-1-2;..11. |
68020 | 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 32 00 21 00 00 | ....2;1-2-2;2-2-1;2-1-2;..12.!.. |
68040 | 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 32 3b 32 2d 32 2d 38 | .2;1-2-1;1-1-2;2-2-1;2-1-2;2-2-8 |
68060 | 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 2d 32 2d 31 3b 32 2d | ;..13.....1;1-1-2;1-1-8;2-2-1;2- |
68080 | 31 2d 32 3b 00 02 31 34 00 15 00 00 00 38 3b 31 2d 32 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 | 1-2;..14.....8;1-2-1;2-2-1;2-1-2 |
680a0 | 3b 00 02 31 35 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 | ;..15.!...1;1-2-1;1-1-8;2-2-1;2- |
680c0 | 32 2d 32 3b 32 2d 32 2d 38 3b 00 02 31 36 00 27 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 | 2-2;2-2-8;..16.'...1;1-2-1;1-1-2 |
680e0 | 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 33 2d 32 3b 32 2d 31 2d 38 3b 00 02 31 37 00 15 00 | ;1-1-8;2-2-1;2-3-2;2-1-8;..17... |
68100 | 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b 00 02 31 38 00 27 00 00 00 31 | ..8;1-1-1;2-2-1;2-1-2;..18.'...1 |
68120 | 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d 31 2d 31 3b 32 2d 32 2d 32 3b 32 2d 32 2d 38 3b 32 | ;1-1-1;1-2-2;2-1-1;2-2-2;2-2-8;2 |
68140 | 2d 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 32 3b 32 2d 33 2d | -1-9;..19.....2;1-1-1;1-1-2;2-3- |
68160 | 31 3b 32 2d 31 2d 32 3b 00 02 32 30 00 1b 00 00 00 32 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 3b 32 | 1;2-1-2;..20.....2;1-2-1;1-1-2;2 |
68180 | 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 32 31 00 27 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -2-1;2-1-8;..21.'...1;1-1-1;1-1- |
681a0 | 32 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 00 02 32 32 00 15 | 2;1-1-8;2-2-1;2-1-2;2-1-8;..22.. |
681c0 | 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 33 00 15 00 00 00 | ...8;1-1-1;2-1-1;2-1-2;..23..... |
681e0 | 31 3b 31 2d 31 2d 32 3b 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 00 02 32 34 00 21 00 00 00 32 3b 31 | 1;1-1-2;2-1-1;2-1-2;..24.!...2;1 |
68200 | 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 00 02 32 | -1-1;1-1-8;1-1-9;2-2-1;2-1-2;..2 |
68220 | 35 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 36 00 1b | 5.....9;1-1-2;2-1-1;2-1-8;..26.. |
68240 | 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 32 | ...8;1-1-1;1-1-2;2-3-1;2-1-9;..2 |
68260 | 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 2d 31 2d 32 3b | 7.....1;1-2-1;1-1-8;2-2-1;2-1-2; |
68280 | 00 02 32 38 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 32 | ..28.....1;1-2-1;2-2-1;2-2-8;..2 |
682a0 | 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 32 3b | 9.!...1;1-1-1;1-1-2;2-1-1;2-1-2; |
682c0 | 32 2d 31 2d 38 3b 00 02 33 30 00 15 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 2d 33 | 2-1-8;..30.....2;1-1-1;1-1-2;2-3 |
682e0 | 2d 31 3b 00 02 33 31 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 | -1;..31.....8;1-2-1;2-3-1;2-1-2; |
68300 | 32 2d 31 2d 38 3b 00 02 33 32 00 21 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 31 2d 32 | 2-1-8;..32.!...1;1-1-1;1-1-2;1-2 |
68320 | 2d 38 3b 32 2d 33 2d 31 3b 32 2d 31 2d 32 3b 00 02 33 33 00 1b 00 00 00 31 3b 31 2d 32 2d 31 3b | -8;2-3-1;2-1-2;..33.....1;1-2-1; |
68340 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 3b 32 2d 33 2d 38 3b 00 02 33 34 00 1b 00 00 00 32 3b 31 2d 31 | 2-1-1;2-1-2;2-3-8;..34.....2;1-1 |
68360 | 2d 31 3b 31 2d 31 2d 32 3b 32 2d 32 2d 31 3b 32 2d 32 2d 38 3b 00 02 33 35 00 21 00 00 00 31 3b | -1;1-1-2;2-2-1;2-2-8;..35.!...1; |
68380 | 31 2d 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 38 3b 00 02 | 1-2-1;1-1-2;2-1-1;2-1-2;2-1-8;.. |
683a0 | 33 36 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 32 | 36.....1;1-2-1;1-1-8;2-4-1;2-1-2 |
683c0 | 3b 00 02 33 37 00 15 00 00 00 31 3b 31 2d 33 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 38 3b 00 02 | ;..37.....1;1-3-1;2-1-1;2-1-8;.. |
683e0 | 33 38 00 0f 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 32 2d 31 3b 00 02 33 39 00 15 00 00 00 38 3b | 38.....1;1-1-1;2-2-1;..39.....8; |
68400 | 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 30 00 1b 00 00 00 31 3b 31 2d 32 | 1-2-1;2-3-1;2-1-8;..40.....1;1-2 |
68420 | 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 38 3b 00 02 34 31 00 1b 00 00 00 31 3b | -1;1-1-8;2-2-1;2-1-8;..41.....1; |
68440 | 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 34 32 00 1c 00 00 | 1-2-1;1-1-8;2-3-1;2-2-8;..42.... |
68460 | 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 38 3b 00 02 34 33 | .1;1-2-1;1-1-8;2-3-1;2-1-28;..43 |
68480 | 00 22 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 32 38 3b 32 2d 32 2d 31 3b 32 2d 31 2d 32 3b | ."...1;1-2-1;1-1-28;2-2-1;2-1-2; |
684a0 | 32 2d 32 2d 38 3b 00 02 34 34 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 38 3b 32 2d 32 | 2-2-8;..44.....1;1-2-1;1-1-8;2-2 |
684c0 | 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 34 35 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 | -1;2-1-28;..45.....1;1-1-1;2-1-1 |
684e0 | 3b 32 2d 31 2d 38 3b 00 02 34 36 00 1c 00 00 00 32 38 3b 31 2d 31 2d 31 3b 31 2d 31 2d 32 3b 32 | ;2-1-8;..46.....28;1-1-1;1-1-2;2 |
68500 | 2d 33 2d 31 3b 32 2d 31 2d 39 3b 00 02 34 37 00 1c 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 31 2d | -3-1;2-1-9;..47.....2;1-1-1;1-1- |
68520 | 39 3b 31 2d 31 2d 32 38 3b 32 2d 31 2d 31 3b 00 02 34 38 00 16 00 00 00 39 3b 31 2d 31 2d 32 3b | 9;1-1-28;2-1-1;..48.....9;1-1-2; |
68540 | 32 2d 31 2d 31 3b 32 2d 31 2d 32 38 3b 00 02 34 39 00 16 00 00 00 31 3b 31 2d 31 2d 32 3b 32 2d | 2-1-1;2-1-28;..49.....1;1-1-2;2- |
68560 | 31 2d 39 3b 32 2d 31 2d 32 38 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 cb 00 00 00 07 | 1-9;2-1-28;....dataset_ids...... |
68580 | 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 | 0.V..4+r.5o....1.V..:+r.5o....2. |
685a0 | 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c3 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 34 00 56 ba | V..:+r.5o....3.V..;+r.5o....4.V. |
685c0 | 0c 3c 2b 72 ed 35 6f 00 01 c6 07 35 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 36 00 56 ba 0c 3d | .<+r.5o....5.V..=+r.5o....6.V..= |
685e0 | 2b 72 ed 35 6f 00 01 c9 07 37 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 38 00 56 ba 0c 3f 2b 72 | +r.5o....7.V..>+r.5o....8.V..?+r |
68600 | ed 35 6f 00 01 cc 07 39 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 31 30 00 56 ba 0c 41 2b 72 ed | .5o....9.V..@+r.5o....10.V..A+r. |
68620 | 35 6f 00 01 d0 07 31 31 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 32 00 56 ba 0c 43 2b 72 ed | 5o....11.V..B+r.5o....12.V..C+r. |
68640 | 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 3a 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 | 5o.....features.:....56ba0c342b7 |
68660 | 32 65 64 33 35 36 66 30 30 30 30 30 30 00 1b 00 00 00 01 30 00 42 78 a1 fb ce 33 52 3f 01 31 00 | 2ed356f000000......0.Bx...3R?.1. |
68680 | 52 d6 89 ba c2 c0 66 3f 00 00 02 73 6d 69 6c 65 73 00 76 00 00 00 43 4f 43 31 43 43 28 4f 43 32 | R.....f?...smiles.v...COC1CC(OC2 |
686a0 | 43 28 43 29 43 3d 43 43 3d 43 33 43 4f 43 34 43 33 28 4f 29 43 28 43 3d 43 28 43 34 4f 29 43 29 | C(C)C=CC=C3COC4C3(O)C(C=C(C4O)C) |
686c0 | 43 28 3d 4f 29 4f 43 33 43 43 28 43 43 3d 43 32 43 29 4f 43 32 28 43 33 29 43 3d 43 43 28 43 28 | C(=O)OC3CC(CC=C2C)OC2(C3)C=CC(C( |
686e0 | 4f 32 29 43 28 43 29 43 29 43 29 4f 43 28 43 31 4f 43 31 43 43 28 4f 43 29 43 28 43 28 4f 31 29 | O2)C(C)C)C)OC(C1OC1CC(OC)C(C(O1) |
68700 | 43 29 4e 43 28 3d 4f 29 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 6f e9 bf c6 52 01 00 00 | C)NC(=O)C)C..updated_at.o...R... |
68720 | 09 63 72 65 61 74 65 64 5f 61 74 00 86 b8 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e | .created_at.....R....default_fin |
68740 | 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 32 00 00 00 02 69 6e 63 68 69 00 26 01 00 00 49 6e 43 | gerprint_size.2....inchi.&...InC |
68760 | 68 49 3d 31 53 2f 43 34 39 48 37 33 4e 4f 31 34 2f 63 31 2d 32 35 28 32 29 34 33 2d 32 38 28 35 | hI=1S/C49H73NO14/c1-25(2)43-28(5 |
68780 | 29 31 37 2d 31 38 2d 34 38 28 36 34 2d 34 33 29 32 33 2d 33 35 2d 32 30 2d 33 34 28 36 33 2d 34 | )17-18-48(64-43)23-35-20-34(63-4 |
687a0 | 38 29 31 36 2d 31 35 2d 32 37 28 34 29 34 34 28 32 36 28 33 29 31 33 2d 31 32 2d 31 34 2d 33 33 | 8)16-15-27(4)44(26(3)13-12-14-33 |
687c0 | 2d 32 34 2d 35 37 2d 34 36 2d 34 32 28 35 32 29 32 39 28 36 29 31 39 2d 33 36 28 34 37 28 35 33 | -24-57-46-42(52)29(6)19-36(47(53 |
687e0 | 29 36 30 2d 33 35 29 34 39 28 33 33 2c 34 36 29 35 34 29 36 31 2d 34 30 2d 32 32 2d 33 38 28 35 | )60-35)49(33,46)54)61-40-22-38(5 |
68800 | 36 2d 31 31 29 34 35 28 33 31 28 38 29 35 39 2d 34 30 29 36 32 2d 33 39 2d 32 31 2d 33 37 28 35 | 6-11)45(31(8)59-40)62-39-21-37(5 |
68820 | 35 2d 31 30 29 34 31 28 33 30 28 37 29 35 38 2d 33 39 29 35 30 2d 33 32 28 39 29 35 31 2f 68 31 | 5-10)41(30(7)58-39)50-32(9)51/h1 |
68840 | 32 2d 31 35 2c 31 37 2d 31 39 2c 32 35 2d 32 36 2c 32 38 2c 33 30 2d 33 31 2c 33 34 2d 34 36 2c | 2-15,17-19,25-26,28,30-31,34-46, |
68860 | 35 32 2c 35 34 48 2c 31 36 2c 32 30 2d 32 34 48 32 2c 31 2d 31 31 48 33 2c 28 48 2c 35 30 2c 35 | 52,54H,16,20-24H2,1-11H3,(H,50,5 |
68880 | 31 29 00 00 1f 05 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 ed 35 6f 00 01 b9 04 77 61 72 6e 69 6e | 1)......._id.V..7+r.5o....warnin |
688a0 | 67 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 cd 02 00 00 04 4d 50 32 44 00 | gs.......fingerprints......MP2D. |
688c0 | c2 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.... |
688e0 | 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 |
68900 | 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 22 00 00 00 | -1-8;2-1-1;2-1-9;2-1-28;..3."... |
68920 | 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 32 2d 31 2d 38 | 2;1-1-1;1-1-9;1-1-28;2-1-3;2-1-8 |
68940 | 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 2d 32 38 3b 00 02 | ;..4.....9;1-1-2;2-1-1;2-1-28;.. |
68960 | 35 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 33 | 5."...28;1-1-2;1-1-3;2-1-1;2-2-3 |
68980 | 3b 32 2d 31 2d 39 3b 00 02 36 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 2d 32 38 3b 32 2d | ;2-1-9;..6.#...3;1-2-3;1-1-28;2- |
689a0 | 31 2d 32 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 37 00 1d 00 00 00 33 3b 31 2d 32 2d 33 | 1-2;2-2-3;2-1-19;..7.....3;1-2-3 |
689c0 | 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 32 2d 31 2d 32 38 3b 00 02 38 00 16 00 00 00 33 3b 31 | ;2-2-3;2-1-10;2-1-28;..8.....3;1 |
689e0 | 2d 32 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 33 2d 33 3b 00 02 39 00 16 00 00 00 33 3b 31 2d 32 2d | -2-3;1-1-10;2-3-3;..9.....3;1-2- |
68a00 | 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d 32 2d 33 3b | 3;2-2-3;2-1-10;..10.....3;1-2-3; |
68a20 | 32 2d 32 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 31 00 23 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d | 2-2-3;2-1-19;..11.#...3;1-2-3;1- |
68a40 | 31 2d 31 39 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 1d 00 00 | 1-19;2-1-2;2-2-3;2-1-28;..12.... |
68a60 | 00 31 39 3b 31 2d 31 2d 32 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 32 2d 32 2d 32 38 3b 00 02 31 | .19;1-1-2;1-1-3;2-2-3;2-2-28;..1 |
68a80 | 33 00 1d 00 00 00 32 3b 31 2d 31 2d 31 39 3b 31 2d 32 2d 32 38 3b 32 2d 32 2d 32 3b 32 2d 31 2d | 3.....2;1-1-19;1-2-28;2-2-2;2-1- |
68aa0 | 33 3b 00 02 31 34 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 | 3;..14.$...28;1-2-2;2-1-8;2-1-9; |
68ac0 | 32 2d 31 2d 31 39 3b 32 2d 31 2d 32 38 3b 00 02 31 35 00 22 00 00 00 32 3b 31 2d 31 2d 38 3b 31 | 2-1-19;2-1-28;..15."...2;1-1-8;1 |
68ae0 | 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 31 36 00 16 00 00 | -1-9;1-1-28;2-1-1;2-1-2;..16.... |
68b00 | 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 |
68b20 | 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.. |
68b40 | 00 00 00 31 3b 31 2d 31 2d 38 3b 32 2d 31 2d 32 3b 00 02 31 39 00 10 00 00 00 31 30 3b 31 2d 32 | ...1;1-1-8;2-1-2;..19.....10;1-2 |
68b60 | 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 32 2d 33 3b | -3;2-4-3;..20.....3;1-2-3;2-2-3; |
68b80 | 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f | ....dataset_ids......0.V..4+r.5o |
68ba0 | 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 | ....1.V..:+r.5o....2.V..;+r.5o.. |
68bc0 | c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 | ..3.V..;+r.5o....4.V..=+r.5o.... |
68be0 | 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 | 5.V..>+r.5o....6.V..?+r.5o....7. |
68c00 | 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba | V..@+r.5o....8.V..A+r.5o....9.V. |
68c20 | 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 | .B+r.5o....10.V..C+r.5o.....feat |
68c40 | 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 | ures./....56ba0c342b72ed356f0000 |
68c60 | 30 30 00 10 00 00 00 01 30 00 69 72 69 e7 63 ef b6 3f 00 00 02 73 6d 69 6c 65 73 00 32 00 00 00 | 00......0.iri.c..?...smiles.2... |
68c80 | 43 4f 43 43 28 3d 4f 29 4e 63 31 63 63 28 63 63 63 31 4e 43 28 3d 4e 43 28 3d 4f 29 4f 43 29 4e | COCC(=O)Nc1cc(ccc1NC(=NC(=O)OC)N |
68ca0 | 43 28 3d 4f 29 4f 43 29 53 63 31 63 63 63 63 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 f7 e8 | C(=O)OC)Sc1ccccc1..updated_at... |
68cc0 | bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 8d b8 bf c6 52 01 00 00 10 64 65 66 61 75 | ..R....created_at.....R....defau |
68ce0 | 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 15 00 00 00 02 69 6e 63 68 69 00 9f | lt_fingerprint_size......inchi.. |
68d00 | 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 32 30 48 32 32 4e 34 4f 36 53 2f 63 31 2d 32 38 2d 31 32 | ...InChI=1S/C20H22N4O6S/c1-28-12 |
68d20 | 2d 31 37 28 32 35 29 32 31 2d 31 36 2d 31 31 2d 31 34 28 33 31 2d 31 33 2d 37 2d 35 2d 34 2d 36 | -17(25)21-16-11-14(31-13-7-5-4-6 |
68d40 | 2d 38 2d 31 33 29 39 2d 31 30 2d 31 35 28 31 36 29 32 32 2d 31 38 28 32 33 2d 31 39 28 32 36 29 | -8-13)9-10-15(16)22-18(23-19(26) |
68d60 | 32 39 2d 32 29 32 34 2d 32 30 28 32 37 29 33 30 2d 33 2f 68 34 2d 31 31 48 2c 31 32 48 32 2c 31 | 29-2)24-20(27)30-3/h4-11H,12H2,1 |
68d80 | 2d 33 48 33 2c 28 48 2c 32 31 2c 32 35 29 28 48 32 2c 32 32 2c 32 33 2c 32 34 2c 32 36 2c 32 37 | -3H3,(H,21,25)(H2,22,23,24,26,27 |
68da0 | 29 00 00 7c 04 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 ed 35 6f 00 01 ba 04 77 61 72 6e 69 6e 67 | )..|...._id.V..7+r.5o....warning |
68dc0 | 73 00 05 00 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 6f 02 00 00 04 4d 50 32 44 00 64 | s.......fingerprints.o....MP2D.d |
68de0 | 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 00 16 00 00 | ....0.....16;1-1-3;2-2-3;..1.... |
68e00 | 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 1c 00 00 00 33 3b | .3;1-2-3;1-1-16;2-2-3;..2.....3; |
68e20 | 31 2d 32 2d 33 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 33 00 22 00 00 | 1-2-3;2-1-1;2-2-3;2-1-16;..3.".. |
68e40 | 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 31 | .3;1-1-1;1-2-3;2-1-1;2-2-3;2-1-1 |
68e60 | 31 3b 00 02 34 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 | 1;..4.....1;1-1-1;1-1-3;2-1-1;2- |
68e80 | 32 2d 33 3b 00 02 35 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b | 2-3;..5.....1;1-2-1;2-1-1;2-1-3; |
68ea0 | 32 2d 31 2d 31 31 3b 00 02 36 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 31 31 3b 32 2d | 2-1-11;..6.....1;1-2-1;1-1-11;2- |
68ec0 | 31 2d 31 3b 32 2d 32 2d 33 3b 00 02 37 00 1c 00 00 00 31 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 33 | 1-1;2-2-3;..7.....11;1-1-1;1-2-3 |
68ee0 | 3b 32 2d 32 2d 31 3b 32 2d 33 2d 33 3b 00 02 38 00 1c 00 00 00 33 3b 31 2d 32 2d 33 3b 31 2d 31 | ;2-2-1;2-3-3;..8.....3;1-2-3;1-1 |
68f00 | 2d 31 31 3b 32 2d 32 2d 31 3b 32 2d 34 2d 33 3b 00 02 39 00 1c 00 00 00 33 3b 31 2d 33 2d 33 3b | -11;2-2-1;2-4-3;..9.....3;1-3-3; |
68f20 | 32 2d 33 2d 33 3b 32 2d 31 2d 39 3b 32 2d 31 2d 31 31 3b 00 02 31 30 00 16 00 00 00 33 3b 31 2d | 2-3-3;2-1-9;2-1-11;..10.....3;1- |
68f40 | 32 2d 33 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 36 3b 00 02 31 31 00 1b 00 00 00 33 3b 31 2d 32 2d | 2-3;2-3-3;2-1-16;..11.....3;1-2- |
68f60 | 33 3b 31 2d 31 2d 39 3b 32 2d 31 2d 32 3b 32 2d 33 2d 33 3b 00 02 31 32 00 0f 00 00 00 39 3b 31 | 3;1-1-9;2-1-2;2-3-3;..12.....9;1 |
68f80 | 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 31 33 00 29 00 00 00 33 3b 31 2d 31 2d 32 3b 31 2d 32 2d | -1-3;2-2-3;..13.)...3;1-1-2;1-2- |
68fa0 | 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 02 31 34 | 3;2-1-3;2-1-9;2-1-11;2-2-32;..14 |
68fc0 | 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 2d 31 2d 32 3b | ."...3;1-1-3;1-1-11;2-1-1;2-1-2; |
68fe0 | 32 2d 32 2d 33 3b 00 02 31 35 00 16 00 00 00 32 3b 31 2d 31 2d 33 3b 31 2d 32 2d 33 32 3b 32 2d | 2-2-3;..15.....2;1-1-3;1-2-32;2- |
69000 | 32 2d 33 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 2d 31 2d | 2-3;..16.....32;1-1-2;2-1-3;2-1- |
69020 | 33 32 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 31 31 | 32;..17.....1;1-1-1;2-1-1;2-1-11 |
69040 | 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 | ;....dataset_ids......0.V..4+r.5 |
69060 | 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 00 56 ba 0c 3a 2b 72 ed 35 6f 00 | o....1.V..:+r.5o....2.V..:+r.5o. |
69080 | 01 c3 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 | ...3.V..<+r.5o....4.V..=+r.5o... |
690a0 | 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 | .5.V..>+r.5o....6.V..?+r.5o....7 |
690c0 | 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 | .V..@+r.5o....8.V..A+r.5o....9.V |
690e0 | ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 | ..B+r.5o....10.V..C+r.5o.....fea |
69100 | 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 | tures./....56ba0c342b72ed356f000 |
69120 | 30 30 30 00 10 00 00 00 01 30 00 2e 2e bd 2b 6d 7f f8 3f 00 00 02 73 6d 69 6c 65 73 00 26 00 00 | 000......0....+m..?...smiles.&.. |
69140 | 00 46 63 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 | .Fc1cc2CCC(n3c2c(c1)c(=O)c(c3)C( |
69160 | 3d 4f 29 4f 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 bf e8 bf c6 52 01 00 00 09 63 72 65 61 | =O)O)C..updated_at.....R....crea |
69180 | 74 65 64 5f 61 74 00 93 b8 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at.....R....default_fingerpr |
691a0 | 69 6e 74 5f 73 69 7a 65 00 12 00 00 00 02 69 6e 63 68 69 00 66 00 00 00 49 6e 43 68 49 3d 31 53 | int_size......inchi.f...InChI=1S |
691c0 | 2f 43 31 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 | /C14H12FNO3/c1-7-2-3-8-4-9(15)5- |
691e0 | 31 30 2d 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 | 10-12(8)16(7)6-11(13(10)17)14(18 |
69200 | 29 31 39 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 8d | )19/h4-7H,2-3H2,1H3,(H,18,19)... |
69220 | 04 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 ed 35 6f 00 01 bb 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..7+r.5o....warnings... |
69240 | 00 00 00 03 66 69 6e 67 65 72 70 72 69 6e 74 73 00 6f 02 00 00 04 4d 50 32 44 00 64 02 00 00 02 | ....fingerprints.o....MP2D.d.... |
69260 | 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- |
69280 | 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 |
692a0 | 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; |
692c0 | 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 |
692e0 | 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 2d 31 2d 39 3b | .#...28;1-1-2;1-1-3;2-1-8;2-1-9; |
69300 | 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 2d 32 38 3b 32 | 2-2-11;..5.$...3;1-2-11;1-1-28;2 |
69320 | 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 31 3b 31 2d 32 | -1-2;2-2-3;2-1-13;..6.....11;1-2 |
69340 | 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 1d 00 00 00 33 | -3;2-2-3;2-1-11;2-1-28;..7.....3 |
69360 | 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 24 | ;1-2-3;1-1-11;2-3-3;2-1-11;..8.$ |
69380 | 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 |
693a0 | 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 31 33 3b 32 2d | -1-13;..9.%...11;1-2-3;1-1-13;2- |
693c0 | 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 31 33 3b 31 2d | 2-3;2-1-11;2-1-28;..10.....13;1- |
693e0 | 31 2d 31 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 | 1-11;2-2-3;..11.....3;1-2-3;2-2- |
69400 | 33 3b 32 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 | 3;2-1-11;2-1-29;..12.....3;1-2-3 |
69420 | 3b 31 2d 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 | ;1-1-29;2-3-3;2-1-9;..13.....3;1 |
69440 | 2d 32 2d 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 | -2-3;2-2-3;2-1-29;..14.....3;1-2 |
69460 | 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 32 39 3b 31 2d 32 2d | -3;2-2-3;2-1-11;..15.....29;1-2- |
69480 | 33 3b 31 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 | 3;1-1-9;2-4-3;..16.....9;1-1-29; |
694a0 | 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 00 00 | 2-2-3;..17.....3;1-2-3;2-2-3;... |
694c0 | 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 | .dataset_ids......0.V..4+r.5o... |
694e0 | 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 | .1.V..9+r.5o....2.V..;+r.5o....3 |
69500 | 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 | .V..<+r.5o....4.V..=+r.5o....5.V |
69520 | ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c | ..>+r.5o....6.V..?+r.5o....7.V.. |
69540 | 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b | @+r.5o....8.V..A+r.5o....9.V..B+ |
69560 | 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 | r.5o....10.V..C+r.5o.....feature |
69580 | 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 | s./....56ba0c342b72ed356f000000. |
695a0 | 10 00 00 00 01 30 00 e7 12 22 91 4c fa 79 3f 00 00 02 73 6d 69 6c 65 73 00 2a 00 00 00 43 4f 43 | .....0...".L.y?...smiles.*...COC |
695c0 | 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 28 3d 4f 29 63 31 | (=O)Nc1nc2c([nH]1)cc(cc2)S(=O)c1 |
695e0 | 63 63 63 63 63 31 00 09 75 70 64 61 74 65 64 5f 61 74 00 4d e8 bf c6 52 01 00 00 09 63 72 65 61 | ccccc1..updated_at.M...R....crea |
69600 | 74 65 64 5f 61 74 00 99 b8 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 | ted_at.....R....default_fingerpr |
69620 | 69 6e 74 5f 73 69 7a 65 00 12 00 00 00 02 69 6e 63 68 69 00 73 00 00 00 49 6e 43 68 49 3d 31 53 | int_size......inchi.s...InChI=1S |
69640 | 2f 43 31 35 48 31 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 | /C15H13N3O3S/c1-21-15(19)18-14-1 |
69660 | 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 32 28 32 30 29 | 6-12-8-7-11(9-13(12)17-14)22(20) |
69680 | 31 30 2d 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 | 10-5-3-2-4-6-10/h2-9H,1H3,(H2,16 |
696a0 | 2c 31 37 2c 31 38 2c 31 39 29 00 00 8c 06 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 ed 35 6f 00 01 | ,17,18,19)......._id.V..7+r.5o.. |
696c0 | 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 73 00 2b 04 | ..warnings.......fingerprints.+. |
696e0 | 00 00 04 4d 50 32 44 00 20 04 00 00 02 30 00 0f 00 00 00 31 3b 31 2d 31 2d 35 3b 32 2d 32 2d 31 | ...MP2D......0.....1;1-1-5;2-2-1 |
69700 | 3b 00 02 31 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 32 | ;..1.....5;1-3-1;2-1-1;2-1-2;..2 |
69720 | 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 |
69740 | 2d 31 2d 32 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 32 | -1-2;2-1-9;..3.'...2;1-1-1;1-1-2 |
69760 | 3b 31 2d 31 2d 39 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 | ;1-1-9;2-1-1;2-2-2;2-1-5;..4.... |
69780 | 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 1c 00 00 00 32 3b 31 | .9;1-1-2;2-1-1;2-1-2;..5.....2;1 |
697a0 | 2d 33 2d 32 3b 32 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 | -3-2;2-2-1;2-3-9;2-1-19;..6..... |
697c0 | 32 3b 31 2d 31 2d 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 | 2;1-1-2;1-1-9;1-1-19;2-2-2;..7.. |
697e0 | 00 00 00 39 3b 31 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 | ...9;1-1-2;2-1-2;2-1-19;..8..... |
69800 | 31 39 3b 31 2d 31 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 | 19;1-1-2;2-1-2;2-1-9;..9.'...2;1 |
69820 | 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 33 2d 32 3b 32 2d 31 | -1-1;1-1-2;1-1-9;2-1-1;2-3-2;2-1 |
69840 | 2d 38 3b 00 02 31 30 00 27 00 00 00 31 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 31 2d 31 2d 38 3b | -8;..10.'...1;1-1-1;1-2-2;1-1-8; |
69860 | 32 2d 32 2d 31 3b 32 2d 32 2d 32 3b 32 2d 32 2d 39 3b 00 02 31 31 00 21 00 00 00 31 3b 31 2d 33 | 2-2-1;2-2-2;2-2-9;..11.!...1;1-3 |
69880 | 2d 31 3b 32 2d 31 2d 31 3b 32 2d 33 2d 32 3b 32 2d 31 2d 35 3b 32 2d 31 2d 38 3b 00 02 31 32 00 | -1;2-1-1;2-3-2;2-1-5;2-1-8;..12. |
698a0 | 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 33 00 27 00 00 | ....1;1-2-1;2-3-1;2-1-2;..13.'.. |
698c0 | 00 31 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 32 2d 31 2d 33 | .1;1-2-1;1-1-2;2-2-1;2-2-2;2-1-3 |
698e0 | 3b 32 2d 31 2d 38 3b 00 02 31 34 00 21 00 00 00 32 3b 31 2d 31 2d 31 3b 31 2d 32 2d 32 3b 32 2d | ;2-1-8;..14.!...2;1-1-1;1-2-2;2- |
69900 | 33 2d 31 3b 32 2d 31 2d 33 3b 32 2d 32 2d 39 3b 00 02 31 35 00 27 00 00 00 32 3b 31 2d 31 2d 32 | 3-1;2-1-3;2-2-9;..15.'...2;1-1-2 |
69920 | 3b 31 2d 31 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 | ;1-1-3;1-1-9;2-1-1;2-1-2;2-2-3;. |
69940 | 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 33 3b 00 02 31 37 | .16.....9;1-1-2;2-1-2;2-1-3;..17 |
69960 | 00 2d 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 | .-...3;1-1-2;1-2-3;2-1-1;2-1-2;2 |
69980 | 2d 32 2d 33 3b 32 2d 31 2d 38 3b 32 2d 31 2d 39 3b 00 02 31 38 00 27 00 00 00 33 3b 31 2d 31 2d | -2-3;2-1-8;2-1-9;..18.'...3;1-1- |
699a0 | 31 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 38 3b | 1;1-2-3;2-2-1;2-1-2;2-2-3;2-1-8; |
699c0 | 00 02 31 39 00 27 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 | ..19.'...1;1-2-1;1-1-3;1-1-8;2-1 |
699e0 | 2d 31 3b 32 2d 31 2d 32 3b 32 2d 32 2d 33 3b 00 02 32 30 00 1b 00 00 00 31 3b 31 2d 31 2d 31 3b | -1;2-1-2;2-2-3;..20.....1;1-1-1; |
69a00 | 32 2d 31 2d 31 3b 32 2d 31 2d 33 3b 32 2d 31 2d 38 3b 00 02 32 31 00 15 00 00 00 38 3b 31 2d 31 | 2-1-1;2-1-3;2-1-8;..21.....8;1-1 |
69a20 | 2d 31 3b 32 2d 32 2d 31 3b 32 2d 31 2d 33 3b 00 02 32 32 00 15 00 00 00 33 3b 31 2d 32 2d 33 3b | -1;2-2-1;2-1-3;..22.....3;1-2-3; |
69a40 | 32 2d 31 2d 31 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 | 2-1-1;2-2-3;..23.....3;1-2-3;2-2 |
69a60 | 2d 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 | -3;..24.....3;1-2-3;2-2-3;2-1-8; |
69a80 | 00 02 32 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 | ..25.....3;1-2-3;1-1-8;2-1-2;2-2 |
69aa0 | 2d 33 3b 00 02 32 36 00 0f 00 00 00 38 3b 31 2d 31 2d 33 3b 32 2d 32 2d 33 3b 00 02 32 37 00 27 | -3;..26.....8;1-1-3;2-2-3;..27.' |
69ac0 | 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 2d 31 3b 32 2d 32 | ...2;1-1-1;1-1-2;1-1-9;2-2-1;2-2 |
69ae0 | 2d 32 3b 32 2d 31 2d 38 3b 00 02 32 38 00 15 00 00 00 38 3b 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b | -2;2-1-8;..28.....8;1-1-1;2-1-1; |
69b00 | 32 2d 32 2d 32 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 07 30 00 56 ba 0c | 2-2-2;....dataset_ids......0.V.. |
69b20 | 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 39 2b 72 ed 35 6f 00 01 c1 07 32 00 56 ba 0c 3b 2b | 4+r.5o....1.V..9+r.5o....2.V..;+ |
69b40 | 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c6 07 34 00 56 ba 0c 3d 2b 72 ed | r.5o....3.V..<+r.5o....4.V..=+r. |
69b60 | 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f | 5o....5.V..>+r.5o....6.V..?+r.5o |
69b80 | 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 | ....7.V..@+r.5o....8.V..A+r.5o.. |
69ba0 | d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 | ..9.V..B+r.5o....10.V..C+r.5o... |
69bc0 | 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 37 32 65 64 33 35 | ..features./....56ba0c342b72ed35 |
69be0 | 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 8e 0e 49 15 b9 99 d5 3f 00 00 02 73 6d 69 6c 65 | 6f000000......0...I....?...smile |
69c00 | 73 00 42 00 00 00 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 | s.B...CN(C1C(=O)C(=C(O)N)C(=O)C2 |
69c20 | 28 43 31 43 43 31 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 | (C1CC1C(=C(O)c3c(C1(C)O)cccc3O)C |
69c40 | 32 3d 4f 29 4f 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 43 e8 bf c6 52 01 00 00 09 63 72 65 | 2=O)O)C..updated_at.C...R....cre |
69c60 | 61 74 65 64 5f 61 74 00 a0 b8 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 | ated_at.....R....default_fingerp |
69c80 | 72 69 6e 74 5f 73 69 7a 65 00 1d 00 00 00 02 69 6e 63 68 69 00 9e 00 00 00 49 6e 43 68 49 3d 31 | rint_size......inchi.....InChI=1 |
69ca0 | 53 2f 43 32 32 48 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 | S/C22H24N2O8/c1-21(31)8-5-4-6-11 |
69cc0 | 28 32 35 29 31 32 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 | (25)12(8)16(26)13-9(21)7-10-15(2 |
69ce0 | 34 28 32 29 33 29 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 | 4(2)3)17(27)14(20(23)30)19(29)22 |
69d00 | 28 31 30 2c 33 32 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 | (10,32)18(13)28/h4-6,9-10,15,25- |
69d20 | 32 36 2c 33 30 2d 33 32 48 2c 37 2c 32 33 48 32 2c 31 2d 33 48 33 00 00 47 04 00 00 07 5f 69 64 | 26,30-32H,7,23H2,1-3H3..G...._id |
69d40 | 00 56 ba 0c 37 2b 72 ed 35 6f 00 01 bd 04 77 61 72 6e 69 6e 67 73 00 05 00 00 00 00 03 66 69 6e | .V..7+r.5o....warnings.......fin |
69d60 | 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 00 00 00 38 | gerprints.+....MP2D......0.....8 |
69d80 | 3b 31 2d 31 2d 31 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 | ;1-1-1;2-2-1;..1.....1;1-2-1;1-1 |
69da0 | 2d 38 3b 32 2d 31 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 | -8;2-1-5;2-1-8;..2.!...1;1-1-1;1 |
69dc0 | 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 33 00 1b 00 00 00 38 | -1-8;2-1-1;2-1-3;2-1-8;..3.....8 |
69de0 | 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 1b 00 00 | ;1-1-1;1-1-3;2-1-1;2-2-3;..4.... |
69e00 | 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 35 00 15 | .3;1-2-3;1-1-8;2-1-1;2-3-3;..5.. |
69e20 | 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 0f 00 00 00 33 | ...3;1-2-3;2-2-3;2-1-8;..6.....3 |
69e40 | 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 33 3b 32 2d 32 | ;1-2-3;2-2-3;..7.....3;1-2-3;2-2 |
69e60 | 2d 33 3b 32 2d 31 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 | -3;2-1-11;..8.....3;1-2-3;1-1-11 |
69e80 | 3b 32 2d 34 2d 33 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 | ;2-4-3;2-1-13;..9.....3;1-3-3;2- |
69ea0 | 34 2d 33 3b 32 2d 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 | 4-3;2-1-8;2-1-11;..10.....3;1-3- |
69ec0 | 33 3b 32 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 32 2d 33 3b | 3;2-4-3;2-1-11;..11.....3;1-2-3; |
69ee0 | 32 2d 33 2d 33 3b 00 02 31 32 00 17 00 00 00 31 31 3b 31 2d 32 2d 33 3b 31 2d 31 2d 31 33 3b 32 | 2-3-3;..12.....11;1-2-3;1-1-13;2 |
69f00 | 2d 34 2d 33 3b 00 02 31 33 00 11 00 00 00 31 33 3b 31 2d 31 2d 31 31 3b 32 2d 32 2d 33 3b 00 02 | -4-3;..13.....13;1-1-11;2-2-3;.. |
69f20 | 31 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 | 14.....1;1-1-1;1-1-5;2-2-1;2-1-8 |
69f40 | 3b 00 02 31 35 00 0f 00 00 00 35 3b 31 2d 32 2d 31 3b 32 2d 33 2d 31 3b 00 02 31 36 00 15 00 00 | ;..15.....5;1-2-1;2-3-1;..16.... |
69f60 | 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 35 3b 32 2d 31 2d 31 3b 00 02 31 37 00 15 00 00 00 31 3b | .1;1-2-1;1-1-5;2-1-1;..17.....1; |
69f80 | 31 2d 31 2d 31 3b 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 | 1-1-1;2-1-1;2-1-5;....dataset_id |
69fa0 | 73 00 ab 00 00 00 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 | s......0.V..4+r.5o....1.V..:+r.5 |
69fc0 | 6f 00 01 c2 07 32 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3c 2b 72 ed 35 6f 00 | o....2.V..;+r.5o....3.V..<+r.5o. |
69fe0 | 01 c6 07 34 00 56 ba 0c 3c 2b 72 ed 35 6f 00 01 c7 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca | ...4.V..<+r.5o....5.V..>+r.5o... |
6a000 | 07 36 00 56 ba 0c 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 | .6.V..?+r.5o....7.V..@+r.5o....8 |
6a020 | 00 56 ba 0c 41 2b 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 | .V..A+r.5o....9.V..B+r.5o....10. |
6a040 | 56 ba 0c 43 2b 72 ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 | V..C+r.5o.....features./....56ba |
6a060 | 30 63 33 34 32 62 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 ad cc da dc | 0c342b72ed356f000000......0..... |
6a080 | e9 05 98 3f 00 00 02 73 6d 69 6c 65 73 00 24 00 00 00 4f 43 28 43 4f 63 31 63 63 63 63 32 63 31 | ...?...smiles.$...OC(COc1cccc2c1 |
6a0a0 | 63 31 63 63 63 63 63 31 5b 6e 48 5d 32 29 43 4e 43 28 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 | c1ccccc1[nH]2)CNC(C)C..updated_a |
6a0c0 | 74 00 40 e9 bf c6 52 01 00 00 09 63 72 65 61 74 65 64 5f 61 74 00 aa b8 bf c6 52 01 00 00 10 64 | t.@...R....created_at.....R....d |
6a0e0 | 65 66 61 75 6c 74 5f 66 69 6e 67 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 12 00 00 00 02 69 6e 63 | efault_fingerprint_size......inc |
6a100 | 68 69 00 77 00 00 00 49 6e 43 68 49 3d 31 53 2f 43 31 38 48 32 32 4e 32 4f 32 2f 63 31 2d 31 32 | hi.w...InChI=1S/C18H22N2O2/c1-12 |
6a120 | 28 32 29 31 39 2d 31 30 2d 31 33 28 32 31 29 31 31 2d 32 32 2d 31 37 2d 39 2d 35 2d 38 2d 31 36 | (2)19-10-13(21)11-22-17-9-5-8-16 |
6a140 | 2d 31 38 28 31 37 29 31 34 2d 36 2d 33 2d 34 2d 37 2d 31 35 28 31 34 29 32 30 2d 31 36 2f 68 33 | -18(17)14-6-3-4-7-15(14)20-16/h3 |
6a160 | 2d 39 2c 31 32 2d 31 33 2c 31 39 2d 32 31 48 2c 31 30 2d 31 31 48 32 2c 31 2d 32 48 33 00 00 83 | -9,12-13,19-21H,10-11H2,1-2H3... |
6a180 | 03 00 00 07 5f 69 64 00 56 ba 0c 37 2b 72 ed 35 6f 00 01 be 04 77 61 72 6e 69 6e 67 73 00 05 00 | ...._id.V..7+r.5o....warnings... |
6a1a0 | 00 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 | ....fingerprints.~....MP2D.s.... |
6a1c0 | 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 31 2d | 0.....1;1-1-5;2-2-1;..1.....5;1- |
6a1e0 | 33 2d 31 3b 32 2d 32 2d 31 3b 00 02 32 00 1c 00 00 00 31 3b 31 2d 32 2d 31 3b 31 2d 31 2d 35 3b | 3-1;2-2-1;..2.....1;1-2-1;1-1-5; |
6a200 | 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 3b 31 2d 31 | 2-2-1;2-1-19;..3."...1;1-1-1;1-1 |
6a220 | 2d 31 39 3b 32 2d 31 2d 31 3b 32 2d 32 2d 33 3b 32 2d 31 2d 35 3b 00 02 34 00 1c 00 00 00 31 39 | -19;2-1-1;2-2-3;2-1-5;..4.....19 |
6a240 | 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 35 00 23 00 00 | ;1-1-1;1-2-3;2-1-1;2-4-3;..5.#.. |
6a260 | 00 33 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 32 2d 31 2d | .3;1-2-3;1-1-19;2-1-1;2-3-3;2-1- |
6a280 | 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 32 2d 31 2d 31 39 3b | 10;..6.....3;1-2-3;2-2-3;2-1-19; |
6a2a0 | 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 00 00 33 3b | ..7.....3;1-2-3;2-2-3;..8.....3; |
6a2c0 | 31 2d 32 2d 33 3b 32 2d 32 2d 33 3b 32 2d 31 2d 31 30 3b 00 02 39 00 1d 00 00 00 33 3b 31 2d 32 | 1-2-3;2-2-3;2-1-10;..9.....3;1-2 |
6a2e0 | 2d 33 3b 31 2d 31 2d 31 30 3b 32 2d 33 2d 33 3b 32 2d 31 2d 31 39 3b 00 02 31 30 00 10 00 00 00 | -3;1-1-10;2-3-3;2-1-19;..10..... |
6a300 | 31 30 3b 31 2d 32 2d 33 3b 32 2d 34 2d 33 3b 00 02 31 31 00 15 00 00 00 31 3b 31 2d 31 2d 31 3b | 10;1-2-3;2-4-3;..11.....1;1-1-1; |
6a320 | 32 2d 31 2d 31 3b 32 2d 31 2d 35 3b 00 00 00 04 64 61 74 61 73 65 74 5f 69 64 73 00 ab 00 00 00 | 2-1-1;2-1-5;....dataset_ids..... |
6a340 | 07 30 00 56 ba 0c 34 2b 72 ed 35 6f 00 00 02 07 31 00 56 ba 0c 3a 2b 72 ed 35 6f 00 01 c2 07 32 | .0.V..4+r.5o....1.V..:+r.5o....2 |
6a360 | 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c4 07 33 00 56 ba 0c 3b 2b 72 ed 35 6f 00 01 c5 07 34 00 56 | .V..;+r.5o....3.V..;+r.5o....4.V |
6a380 | ba 0c 3d 2b 72 ed 35 6f 00 01 c8 07 35 00 56 ba 0c 3e 2b 72 ed 35 6f 00 01 ca 07 36 00 56 ba 0c | ..=+r.5o....5.V..>+r.5o....6.V.. |
6a3a0 | 3f 2b 72 ed 35 6f 00 01 cc 07 37 00 56 ba 0c 40 2b 72 ed 35 6f 00 01 ce 07 38 00 56 ba 0c 41 2b | ?+r.5o....7.V..@+r.5o....8.V..A+ |
6a3c0 | 72 ed 35 6f 00 01 d0 07 39 00 56 ba 0c 42 2b 72 ed 35 6f 00 01 d2 07 31 30 00 56 ba 0c 43 2b 72 | r.5o....9.V..B+r.5o....10.V..C+r |
6a3e0 | ed 35 6f 00 01 d4 00 03 66 65 61 74 75 72 65 73 00 2f 00 00 00 04 35 36 62 61 30 63 33 34 32 62 | .5o.....features./....56ba0c342b |
6a400 | 37 32 65 64 33 35 36 66 30 30 30 30 30 30 00 10 00 00 00 01 30 00 67 bc f5 2c f6 e1 ad 3f 00 00 | 72ed356f000000......0.g..,...?.. |
6a420 | 02 73 6d 69 6c 65 73 00 1f 00 00 00 43 4e 28 43 28 43 4e 31 63 32 63 63 63 63 63 32 53 63 32 63 | .smiles.....CN(C(CN1c2ccccc2Sc2c |
6a440 | 31 63 63 63 63 32 29 43 29 43 00 09 75 70 64 61 74 65 64 5f 61 74 00 fb e8 bf c6 52 01 00 00 09 | 1cccc2)C)C..updated_at.....R.... |
6a460 | 63 72 65 61 74 65 64 5f 61 74 00 c4 b8 bf c6 52 01 00 00 10 64 65 66 61 75 6c 74 5f 66 69 6e 67 | created_at.....R....default_fing |
6a480 | 65 72 70 72 69 6e 74 5f 73 69 7a 65 00 0c 00 00 00 02 69 6e 63 68 69 00 65 00 00 00 49 6e 43 68 | erprint_size......inchi.e...InCh |
6a4a0 | 49 3d 31 53 2f 43 31 37 48 32 30 4e 32 53 2f 63 31 2d 31 33 28 31 38 28 32 29 33 29 31 32 2d 31 | I=1S/C17H20N2S/c1-13(18(2)3)12-1 |
6a4c0 | 39 2d 31 34 2d 38 2d 34 2d 36 2d 31 30 2d 31 36 28 31 34 29 32 30 2d 31 37 2d 31 31 2d 37 2d 35 | 9-14-8-4-6-10-16(14)20-17-11-7-5 |
6a4e0 | 2d 39 2d 31 35 28 31 37 29 31 39 2f 68 34 2d 31 31 2c 31 33 48 2c 31 32 48 32 2c 31 2d 33 48 33 | -9-15(17)19/h4-11,13H,12H2,1-3H3 |
6a500 | 00 00 | .. |