diff options
Diffstat (limited to '5x_cv/csv/MDD_constitutional.csv')
| -rw-r--r-- | 5x_cv/csv/MDD_constitutional.csv | 1216 |
1 files changed, 0 insertions, 1216 deletions
diff --git a/5x_cv/csv/MDD_constitutional.csv b/5x_cv/csv/MDD_constitutional.csv deleted file mode 100644 index 2de8ad0..0000000 --- a/5x_cv/csv/MDD_constitutional.csv +++ /dev/null @@ -1,1216 +0,0 @@ -SMILES,AMR,LipinskiFailures,nAtomLAC,ALogp2,LipinksiFailures,nAtomP,nHBDon,nB,nAromBond,nAtomLC,naAromAtom,ALogP,nRotB,MLogP,nAtom,XLogP -InChI%3D1S%2FC22H25N3O4S%2Fc1-2-29-22%2827%2923-16-7-8-20-18%2815-16%2925%2817-5-3-4-6-19%2817%2930-20%2921%2826%299-10-24-11-13-28-14-12-24%2Fh3-8%2C15H%2C2%2C9-14H2%2C1H3%2C%28H%2C23%2C27%29, 67.6804962158203, 0.0, 3.0, 0.532316148281097, , 19.0, 1.0, 33.0, 12.0, 6.0, 12.0, 0.729600012302399, 7.0, 3.0, 55.0, 3.6489999294281 -InChI%3D1S%2FC17H22NOS2.BrH%2Fc1-18%282%2911-13%2810-14%2812-18%2919-3%2917%2815-6-4-8-20-15%2916-7-5-9-21-16%3B%2Fh4-9%2C14H%2C10-12H2%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1, , 0.0, 0.0, , , 12.0, 0.0, 23.0, 10.0, 2.0, 10.0, , 3.0, 2.77999997138977, 44.0, 3.69099998474121 -InChI%3D1S%2FC26H27NO10%2Fc1-9-21%2830%2913%2827%296-16%2836-9%2937-15-8-26%2835%2C10%282%2928%297-12-18%2815%2925%2834%2920-19%2823%2812%2932%2922%2831%2911-4-3-5-14%2829%2917%2811%2924%2820%2933%2Fh3-5%2C9%2C13%2C15-16%2C21%2C29-30%2C32%2C34-35H%2C6-8%2C27H2%2C1-2H3%2Ft9-%2C13%3F%2C15-%2C16-%2C21%2B%2C26-%2Fm0%2Fs1, 78.8345031738281, 1.0, 0.0, 17.2665176391602, , 19.0, 6.0, 41.0, 12.0, 2.0, 12.0, -4.15530014038086, 3.0, 3.10999989509583, 64.0, -1.5900000333786 -InChI%3D1S%2FC7H8O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5%2C8H%2C6H2, 7.27680015563965, 0.0, 0.0, 0.201331689953804, , 6.0, 1.0, 8.0, 6.0, 2.0, 6.0, -0.44870001077652, 1.0, 2.11999988555908, 16.0, 2.40899991989136 -InChI%3D1S%2FC11H17NO%2Fc1-9%2812-2%298-10-6-4-5-7-11%2810%2913-3%2Fh4-7%2C9%2C12H%2C8H2%2C1-3H3, 30.4745006561279, 0.0, 3.0, 0.0940035581588745, , 7.0, 1.0, 13.0, 6.0, 5.0, 6.0, -0.306600004434586, 4.0, 2.45000004768372, 30.0, 2.68400001525879 -InChI%3D1S%2FC5H11NO2%2Fc1-3-5%282%294-8-6-7%2Fh5H%2C3-4H2%2C1-2H3, 28.8693008422852, 0.0, 4.0, 4.58430910110474, , 3.0, 0.0, 7.0, 0.0, 8.0, 0.0, -2.14109992980957, 4.0, 1.67999994754791, 19.0, 2.49900007247925 -InChI%3D1S%2FC21H28N2O5%2Fc1-23%282%2910-11-28-17-8-6-15%287-9-17%2914-22-21%2824%2916-12-18%2825-3%2920%2827-5%2919%2813-16%2926-4%2Fh6-9%2C12-13H%2C10-11%2C14H2%2C1-5H3%2C%28H%2C22%2C24%29, 60.2840995788574, 0.0, 2.0, 0.131551295518875, , 12.0, 1.0, 29.0, 12.0, 6.0, 12.0, -0.36269998550415, 10.0, 3.0, 56.0, 2.59299993515015 -InChI%3D1S%2FC18H37N5O9%2Fc19-3-9-8%2825%292-7%2822%2917%2829-9%2931-15-5%2820%291-6%2821%2916%2814%2815%2928%2932-18-13%2827%2911%2823%2912%2826%2910%284-24%2930-18%2Fh5-18%2C24-28H%2C1-4%2C19-23H2%2Ft5-%2C6%2B%2C7%3F%2C8-%2C9%3F%2C10%2B%2C11-%2C12%2B%2C13%2B%2C14-%2C15%3F%2C16-%2C17%2B%2C18%3F%2Fm0%2Fs1, 102.787300109863, 2.0, 0.0, 57.1626739501953, , 0.0, 10.0, 34.0, 0.0, 2.0, 0.0, -7.56059980392456, 6.0, 1.89999997615814, 69.0, -5.38100004196167 -InChI%3D1S%2FC14H14N2O%2Fc1-14%282%2C12-6-4-8-16-10-12%2913%2817%2911-5-3-7-15-9-11%2Fh3-10H%2C1-2H3, 18.9706993103027, 0.0, 3.0, 0.423020154237747, , 8.0, 0.0, 18.0, 12.0, 5.0, 12.0, 0.65039998292923, 3.0, 2.67000007629395, 31.0, 2.10500001907349 -InChI%3D1S%2FC12H12N2O2S%2Fc13-9-1-5-11%286-2-9%2917%2815%2C16%2912-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2, 17.0858001708984, 0.0, 0.0, 3.70562505722046, , 17.0, 2.0, 18.0, 12.0, 2.0, 12.0, -1.92499995231628, 2.0, 2.23000001907349, 29.0, 1.23300004005432 -InChI%3D1S%2FC18H21NO3%2Fc1-19-8-7-18-11-4-5-13%2820%2917%2818%2922-16-14%2821-2%296-3-10%2815%2816%2918%299-12%2811%2919%2Fh3-6%2C11-13%2C17%2C20H%2C7-9H2%2C1-2H3%2Ft11%3F%2C12%3F%2C13-%2C17%3F%2C18%2B%2Fm0%2Fs1, 60.8292999267578, 0.0, 0.0, 0.0952339619398117, , 8.0, 1.0, 26.0, 6.0, 2.0, 6.0, -0.308600008487701, 1.0, 3.0, 43.0, 1.31500005722046 -InChI%3D1S%2FC29H39FO7%2Fc1-6-8-25%2835%2937-29%2823%2833%2916-36-24%2834%297-2%2917%283%2913-21-20-10-9-18-14-19%2831%2911-12-26%2818%2C4%2928%2820%2C30%2922%2832%2915-27%2821%2C29%295%2Fh11-12%2C14%2C17%2C20-22%2C32H%2C6-10%2C13%2C15-16H2%2C1-5H3%2Ft17-%2C20-%2C21%3F%2C22-%2C26-%2C27-%2C28%3F%2C29-%2Fm0%2Fs1, 132.556900024414, 0.0, 4.0, 0.103297956287861, , 6.0, 1.0, 40.0, 0.0, 8.0, 0.0, -0.321399986743927, 9.0, 3.76999998092651, 76.0, 3.26399993896484 -InChI%3D1S%2FC23H31FO6%2Fc1-13%2825%2930-12-19%2828%2922%2829%299-7-16-17-5-4-14-10-15%2826%296-8-20%2814%2C2%2923%2817%2C24%2918%2827%2911-21%2816%2C22%293%2Fh10%2C16-18%2C27%2C29H%2C4-9%2C11-12H2%2C1-3H3%2Ft16%3F%2C17-%2C18-%2C20-%2C21-%2C22-%2C23%3F%2Fm0%2Fs1, 105.120796203613, 0.0, 2.0, 0.263579547405243, , 4.0, 2.0, 33.0, 0.0, 7.0, 0.0, -0.513400018215179, 4.0, 3.22000002861023, 61.0, 0.684000015258789 -InChI%3D1S%2FC10H12ClN5O3%2Fc11-10-14-8%2812%297-9%2815-10%2916%283-13-7%296-1-4%2818%295%282-17%2919-6%2Fh3-6%2C17-18H%2C1-2H2%2C%28H2%2C12%2C14%2C15%29%2Ft4-%2C5%3F%2C6%2B%2Fm0%2Fs1, 37.4575996398926, 0.0, 0.0, 3.08634614944458, , 9.0, 4.0, 21.0, 10.0, 2.0, 6.0, -1.75680005550385, 2.0, 1.57000005245209, 31.0, -0.691999971866608 -InChI%3D1S%2FC12H13N3O2%2Fc1-9-7-11%2815-17-9%2912%2816%2914-13-8-10-5-3-2-4-6-10%2Fh2-7%2C13H%2C8H2%2C1H3%2C%28H%2C14%2C16%29, 22.8052997589111, 0.0, 0.0, 0.574867248535156, , 6.0, 3.0, 18.0, 11.0, 5.0, 6.0, -0.758199989795685, 5.0, 2.23000001907349, 30.0, 3.76900005340576 -InChI%3D1S%2FC6H12O6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-12H%2Ft1-%2C2%2B%2C3-%2C4%3F%2C5%3F%2C6%2B, 35.7750015258789, 1.0, 0.0, 9.38932132720947, , 0.0, 6.0, 12.0, 0.0, 0.0, 0.0, -3.06419992446899, 0.0, 1.46000003814697, 24.0, -1.45799994468689 -InChI%3D1S%2FC13H24N4O3S%2Fc1-13%282%2C3%2914-8-10%2818%299-20-12-11%2815-21-16-12%2917-4-6-19-7-5-17%2Fh10%2C14%2C18H%2C4-9H2%2C1-3H3%2Ft10-%2Fm0%2Fs1, 70.9658966064453, 0.0, 3.0, 0.218743294477463, , 7.0, 4.0, 22.0, 5.0, 10.0, 5.0, 0.467700004577637, 7.0, 2.00999999046326, 45.0, 0.254000008106232 -InChI%3D1S%2FC17H19ClN2S%2Fc1-19%282%2910-5-11-20-14-6-3-4-7-16%2814%2921-17-9-8-13%2818%2912-15%2817%2920%2Fh3-4%2C6-9%2C12H%2C5%2C10-11H2%2C1-2H3, 42.9345016479492, 0.0, 3.0, 1.69286119937897, , 13.0, 0.0, 23.0, 12.0, 6.0, 12.0, 1.30110001564026, 4.0, 2.89000010490417, 40.0, 4.45699977874756 -InChI%3D1S%2FC22H28N2O2%2Fc1-17-5-3-4-15-24%2817%2916-14-18-6-10-20%2811-7-18%2923-22%2825%2919-8-12-21%2826-2%2913-9-19%2Fh6-13%2C17H%2C3-5%2C14-16H2%2C1-2H3%2C%28H%2C23%2C25%29, 50.5978012084961, 1.0, 2.0, 0.496320247650146, , 16.0, 1.0, 28.0, 12.0, 3.0, 12.0, -0.704500019550323, 6.0, 3.44000005722046, 54.0, 5.52199983596802 -InChI%3D1S%2FC19H15NO6%2Fc1-11%2821%2910-15%2812-6-8-13%289-7-12%2920%2824%2925%2917-18%2822%2914-4-2-3-5-16%2814%2926-19%2817%2923%2Fh2-9%2C15%2C22H%2C10H2%2C1H3, 37.6540985107422, 0.0, 4.0, 1.09516227245331, , 9.0, 1.0, 28.0, 12.0, 5.0, 12.0, -1.04649996757507, 5.0, 2.77999997138977, 43.0, 3.70099997520447 -InChI%3D1S%2FC7H8ClN3O4S2%2Fc8-4-1-5-7%282-6%284%2916%289%2C12%2913%2917%2814%2C15%2911-3-10-5%2Fh1-2%2C10-11H%2C3H2%2C%28H2%2C9%2C12%2C13%29, 35.4327011108398, 0.0, 0.0, 2.38270092010498, , 15.0, 3.0, 18.0, 6.0, 3.0, 6.0, -1.54359996318817, 1.0, 1.12999999523163, 25.0, -1.26300001144409 -InChI%3D1S%2FC28H44O3%2Fc1-3-4-5-6-7-8-9-10-27%2830%2931-26-16-15-25-24-13-11-20-19-21%2829%2912-14-22%2820%2923%2824%2917-18-28%2825%2C26%292%2Fh19%2C22-26H%2C3-18H2%2C1-2H3%2Ft22-%2C23%2B%2C24%3F%2C25-%2C26-%2C28-%2Fm0%2Fs1, 110.760902404785, 1.0, 10.0, 2.83686637878418, , 4.0, 0.0, 34.0, 0.0, 12.0, 0.0, -1.6842999458313, 10.0, 4.21000003814697, 75.0, 8.19900035858154 -InChI%3D1S%2FC14H11NO5%2Fc1-8-2-4-9%285-3-8%2913%2817%2910-6-11%2815%2819%2920%2914%2818%2912%2816%297-10%2Fh2-7%2C16%2C18H%2C1H3, 18.8631000518799, 0.0, 0.0, 0.346920996904373, , 19.0, 2.0, 21.0, 12.0, 2.0, 12.0, -0.58899998664856, 3.0, 2.33999991416931, 31.0, 4.61499977111816 -InChI%3D1S%2FC21H23BrFNO2%2Fc22-18-7-5-17%286-8-18%2921%2826%2911-14-24%2815-12-21%2913-1-2-20%2825%2916-3-9-19%2823%2910-4-16%2Fh3-10%2C26H%2C1-2%2C11-15H2, 50.0037994384766, 0.0, 4.0, 0.177830889821053, , 8.0, 1.0, 28.0, 12.0, 5.0, 12.0, -0.421700000762939, 6.0, 3.22000002861023, 49.0, 4.83500003814697 -InChI%3D1S%2FC11H12N2O2%2Fc1-2-13-10%2814%299%2812-11%2813%2915%298-6-4-3-5-7-8%2Fh3-7%2C9H%2C2H2%2C1H3%2C%28H%2C12%2C15%29, 29.2322998046875, 0.0, 2.0, 5.76000002183719e-06, , 6.0, 1.0, 16.0, 6.0, 2.0, 6.0, -0.00240000011399388, 2.0, 2.23000001907349, 27.0, 2.43799996376038 -InChI%3D1S%2FC24H34N2O%2Fc1-21%282%2919-27-20-24%2825-15-9-10-16-25%2918-26%2823-13-7-4-8-14-23%2917-22-11-5-3-6-12-22%2Fh3-8%2C11-14%2C21%2C24H%2C9-10%2C15-20H2%2C1-2H3, 59.1772003173828, 1.0, 3.0, 0.0124545600265265, , 7.0, 0.0, 29.0, 12.0, 10.0, 12.0, -0.111599996685982, 10.0, 3.76999998092651, 61.0, 6.7979998588562 -InChI%3D1S%2FC8H9NO5%2Fc10-2-1-4-7%288%2812%2913%299-5%2811%293-6%289%2914-4%2Fh1%2C6-7%2C10H%2C2-3H2%2C%28H%2C12%2C13%29%2Ft6-%2C7-%2Fm1%2Fs1, 44.252498626709, 0.0, 2.0, 2.09236216545105, , 3.0, 2.0, 15.0, 0.0, 3.0, 0.0, -1.44649994373322, 2.0, 1.67999994754791, 23.0, -1.51900005340576 -InChI%3D1S%2FC16H14N2O%2Fc1-11-7-3-6-10-15%2811%2918-12%282%2917-14-9-5-4-8-13%2814%2916%2818%2919%2Fh3-10H%2C1-2H3, 24.6993999481201, 0.0, 0.0, 0.00361201004125178, , 16.0, 1.0, 21.0, 12.0, 0.0, 12.0, 0.0601000003516674, 1.0, 2.89000010490417, 35.0, 4.57800006866455 -InChI%3D1S%2FC17H17Cl2N%2Fc1-20-17-9-7-12%2813-4-2-3-5-14%2813%2917%2911-6-8-15%2818%2916%2819%2910-11%2Fh2-6%2C8%2C10%2C12%2C17%2C20H%2C7%2C9H2%2C1H3%2Ft12-%2C17-%2Fm0%2Fs1, 34.7689018249512, 1.0, 0.0, 0.915466248989105, , 6.0, 1.0, 22.0, 12.0, 2.0, 12.0, 0.956799983978271, 2.0, 3.0, 37.0, 5.87400007247925 -InChI%3D1S%2FC19H22F2N4O3%2Fc1-8-5-24%286-9%282%2923-8%2917-13%2820%2915%2822%2912-16%2814%2817%2921%2925%2810-3-4-10%297-11%2818%2812%2926%2919%2827%2928%2Fh7-10%2C23H%2C3-6%2C22H2%2C1-2H3%2C%28H%2C27%2C28%29%2Ft8-%2C9%2B, 73.2008972167969, 0.0, 0.0, 2.02379083633423, , 11.0, 3.0, 31.0, 6.0, 2.0, 6.0, -1.42260003089905, 3.0, 2.55999994277954, 52.0, 0.462000012397766 -InChI%3D1S%2FC35H62N4O4.2BrH%2Fc1-24%2840%2942-32-21-26-9-10-27-28%2835%2826%2C4%2923-31%2832%2937-15-19-39%287%2C8%2920-16-37%2911-12-34%283%2929%2827%2922-30%2833%2834%2943-25%282%2941%2936-13-17-38%285%2C6%2918-14-36%3B%3B%2Fh26-33H%2C9-23H2%2C1-8H3%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2%2Ft26%3F%2C27-%2C28%3F%2C29%3F%2C30%3F%2C31%2B%2C32%3F%2C33%2B%2C34%3F%2C35%2B%3B%3B%2Fm1..%2Fs1, , 1.0, 2.0, , , 3.0, 0.0, 48.0, 0.0, 4.0, 0.0, , 6.0, 4.21000003814697, 107.0, 5.8439998626709 -InChI%3D1S%2FC14H17N3O%2Fc1-16-9-3-5-13-11%287-9%2910-6-8%2814%2815%2918%292-4-12%2810%2917-13%2Fh2%2C4%2C6%2C9%2C16-17H%2C3%2C5%2C7H2%2C1H3%2C%28H2%2C15%2C18%29, 33.0998001098633, 0.0, 0.0, 0.176484003663063, , 10.0, 4.0, 20.0, 10.0, 2.0, 6.0, -0.420100003480911, 2.0, 2.55999994277954, 34.0, 2.2720000743866 -InChI%3D1S%2FC8H11NO3%2Fc1-5-8%2812%297%284-11%296%283-10%292-9-5%2Fh2%2C10-12H%2C3-4H2%2C1H3, 22.850700378418, 0.0, 0.0, 0.843091249465942, , 7.0, 3.0, 12.0, 6.0, 2.0, 6.0, -0.918200016021729, 2.0, 1.89999997615814, 23.0, -0.676999986171722 -InChI%3D1S%2FC9H10N4O2S2%2Fc1-6-11-12-9%2816-6%2913-17%2814%2C15%298-4-2-7%2810%293-5-8%2Fh2-5H%2C10H2%2C1H3%2C%28H%2C12%2C13%29, 29.0559005737305, 0.0, 0.0, 1.09098029136658, , 16.0, 3.0, 18.0, 11.0, 4.0, 11.0, -1.04449999332428, 3.0, 1.57000005245209, 27.0, 1.02999997138977 -InChI%3D1S%2FC21H32O2%2Fc1-13-11-14-12-15%2822%295-8-19%2814%2C2%2916-6-9-20%283%2917%2818%2813%2916%297-10-21%2820%2C4%2923%2Fh12-13%2C16-18%2C23H%2C5-11H2%2C1-4H3%2Ft13-%2C16-%2C17-%2C18%3F%2C19%3F%2C20%3F%2C21-%2Fm0%2Fs1, 92.8587036132812, 0.0, 0.0, 2.01214218139648, , 4.0, 1.0, 26.0, 0.0, 0.0, 0.0, 1.41849994659424, 0.0, 3.54999995231628, 55.0, 4.55999994277954 -InChI%3D1S%2FC13H18N4O3%2Fc1-9%2818%296-4-5-7-17-12%2819%2910-11%2814-8-15%2810%292%2916%283%2913%2817%2920%2Fh8H%2C4-7H2%2C1-3H3, 55.0304985046387, 0.0, 6.0, 1.73422563076019, , 6.0, 1.0, 21.0, 5.0, 7.0, 0.0, -1.31690001487732, 5.0, 2.11999988555908, 38.0, -0.104000002145767 -InChI%3D1S%2FC16H25NO4%2Fc1-12%282%2917-10-14%2818%2911-21-15-7-4-13%285-8-15%296-9-16%2819%2920-3%2Fh4-5%2C7-8%2C12%2C14%2C17-18H%2C6%2C9-11H2%2C1-3H3, 56.9043006896973, 0.0, 3.0, 0.812521934509277, , 7.0, 2.0, 21.0, 6.0, 9.0, 6.0, -0.901400029659271, 10.0, 2.67000007629395, 46.0, 2.2960000038147 -InChI%3D1S%2FC20H20N6O9S%2Fc1-25-19%2822-23-24-25%2936-8-10-7-35-18-20%2834-2%2C17%2833%2926%2818%2913%2810%2916%2831%2932%2921-14%2828%2912%2815%2829%2930%299-3-5-11%2827%296-4-9%2Fh3-6%2C12%2C18%2C27H%2C7-8H2%2C1-2H3%2C%28H%2C21%2C28%29%28H%2C29%2C30%29%28H%2C31%2C32%29%2Ft12%3F%2C18-%2C20%3F%2Fm1%2Fs1, 85.1945037841797, 1.0, 3.0, 1.69000005722046, , 8.0, 4.0, 39.0, 11.0, 7.0, 11.0, -1.29999995231628, 9.0, 1.89999997615814, 56.0, -1.15600001811981 -InChI%3D1S%2FC10H16N2O8%2Fc13-7%2814%293-11%284-8%2815%2916%291-2-12%285-9%2817%2918%296-10%2819%2920%2Fh1-6H2%2C%28H%2C13%2C14%29%28H%2C15%2C16%29%28H%2C17%2C18%29%28H%2C19%2C20%29, 62.3456001281738, 1.0, 2.0, 2.94740223884583, , 3.0, 4.0, 19.0, 0.0, 20.0, 0.0, -1.71679997444153, 11.0, 1.46000003814697, 36.0, -2.55599999427795 -InChI%3D1S%2FC30H60N3O3.3HI%2Fc1-10-31%2811-2%2C12-3%2922-25-34-28-20-19-21-29%2835-26-23-32%2813-4%2C14-5%2915-6%2930%2828%2936-27-24-33%2816-7%2C17-8%2918-9%3B%3B%3B%2Fh19-21H%2C10-18%2C22-27H2%2C1-9H3%3B3%2A1H%2Fq%2B3%3B%3B%3B%2Fp-3, , 2.0, 2.0, , , 9.0, 0.0, 36.0, 6.0, 10.0, 6.0, , 21.0, 3.76999998092651, 99.0, 7.40700006484985 -InChI%3D1S%2FC4H8O2%2Fc1-3-6-4%282%295%2Fh3H2%2C1-2H3, 21.706600189209, 0.0, 2.0, 0.0737122520804405, , 3.0, 0.0, 5.0, 0.0, 6.0, 0.0, 0.271499991416931, 2.0, 1.67999994754791, 14.0, 0.663999974727631 -InChI%3D1S%2FC12H6Cl2N2O6%2Fc13-5-1-7%2811%2817%299%283-5%2915%2819%2920%298-2-6%2814%294-10%2812%288%2918%2916%2821%2922%2Fh1-4%2C17-18H, 22.1319999694824, 0.0, 0.0, 0.22543503344059, , 20.0, 2.0, 23.0, 12.0, 2.0, 12.0, 0.474799990653992, 3.0, 1.67999994754791, 28.0, 4.51599979400635 -InChI%3D1S%2FC19H28ClN5O%2Fc1-3-18-21-25%2819%2826%2924%2818%294-2%2910-6-9-22-11-13-23%2814-12-22%2917-8-5-7-16%2820%2915-17%2Fh5%2C7-8%2C15H%2C3-4%2C6%2C9-14H2%2C1-2H3, 77.8172988891602, 0.0, 3.0, 0.0613057613372803, , 7.0, 1.0, 28.0, 6.0, 3.0, 6.0, -0.247600004076958, 7.0, 2.77999997138977, 56.0, 3.47000002861023 -InChI%3D1S%2FC18H19N%2Fc1-19-12-18-11-10-13%2814-6-2-4-8-16%2814%2918%2915-7-3-5-9-17%2815%2918%2Fh2-9%2C13%2C19H%2C10-12H2%2C1H3, 29.4263000488281, 1.0, 0.0, 0.239316642284393, , 6.0, 1.0, 22.0, 12.0, 3.0, 12.0, -0.489199995994568, 2.0, 3.32999992370605, 38.0, 7.01599979400635 -InChI%3D1S%2FC36H47N5O4.H2O%2Fc1-36%282%2C3%2939-35%2845%2931-24-40%2822-26-12-9-15-37-21-26%2916-17-41%2831%2923-29%2842%2919-28%2818-25-10-5-4-6-11-25%2934%2844%2938-33-30-14-8-7-13-27%2830%2920-32%2833%2943%3B%2Fh4-15%2C21%2C28-29%2C31-33%2C42-43H%2C16-20%2C22-24H2%2C1-3H3%2C%28H%2C38%2C44%29%28H%2C39%2C45%29%3B1H2%2Ft28-%2C29%2B%2C31%2B%2C32%3F%2C33%2B%3B%2Fm1.%2Fs1, 102.055999755859, , 5.0, 0.0117288902401924, , 6.0, 5.0, 49.0, 18.0, 9.0, 18.0, 0.108300000429153, 12.0, 4.32000017166138, 95.0, -InChI%3D1S%2FC13H11NO5%2Fc1-2-14-5-8%2813%2816%2917%2912%2815%297-3-10-11%284-9%287%2914%2919-6-18-10%2Fh3-5H%2C2%2C6H2%2C1H3%2C%28H%2C16%2C17%29, 41.2597007751465, 0.0, 2.0, 0.328902244567871, , 11.0, 1.0, 21.0, 6.0, 2.0, 6.0, -0.573499977588654, 2.0, 2.23000001907349, 32.0, 0.569999992847443 -InChI%3D1S%2FC20H20N6O7S4%2Fc1-7-10%283-11%2827%2928%2937-20%2822-7%2936-5-8-4-34-17-13%2816%2830%2926%2817%2914%288%2918%2831%2932%2924-15%2829%2912%2825-33-2%299-6-35-19%2821%2923-9%2Fh6%2C13%2C17H%2C3-5H2%2C1-2H3%2C%28H2%2C21%2C23%29%28H%2C24%2C29%29%28H%2C27%2C28%29%28H%2C31%2C32%29%2Fb25-12%2B%2Ft13%3F%2C17-%2Fm1%2Fs1, 126.816703796387, 1.0, 2.0, 1.44793093204498, , 8.0, 5.0, 40.0, 5.0, 7.0, 5.0, 1.20329999923706, 10.0, 1.78999996185303, 59.0, 0.757000029087067 -InChI%3D1S%2FC31H33N3O6S%2Fc1-20-8-4-7-11-29%2820%2941%2837%2C38%2933-30%2835%2922-13-12-21%2828%2817-22%2939-3%2916-23-19-34%282%2927-15-14-24%2818-26%2823%2927%2932-31%2836%2940-25-9-5-6-10-25%2Fh4%2C7-8%2C11-15%2C17-19%2C25H%2C5-6%2C9-10%2C16H2%2C1-3H3%2C%28H%2C32%2C36%29%28H%2C33%2C35%29, 67.803596496582, 1.0, 0.0, 0.52461051940918, , 19.0, 2.0, 45.0, 22.0, 6.0, 18.0, -0.724300026893616, 9.0, 3.76999998092651, 74.0, 6.99900007247925 -InChI%3D1S%2FC20H21FN2O%2Fc1-23%282%2911-3-10-20%2817-5-7-18%2821%298-6-17%2919-9-4-15%2813-22%2912-16%2819%2914-24-20%2Fh4-9%2C12H%2C3%2C10-11%2C14H2%2C1-2H3, 42.0723991394043, 0.0, 3.0, 0.080655999481678, , 8.0, 0.0, 26.0, 12.0, 6.0, 12.0, 0.284000009298325, 5.0, 3.22000002861023, 45.0, 3.95600008964539 -InChI%3D1S%2FC12H11ClN2O5S%2Fc13-9-5-10%2815-6-7-2-1-3-20-7%298%2812%2816%2917%294-11%289%2921%2814%2C18%2919%2Fh1-5%2C15H%2C6H2%2C%28H%2C16%2C17%29%28H2%2C14%2C18%2C19%29, 33.6077995300293, 0.0, 0.0, 0.989826023578644, , 14.0, 3.0, 22.0, 11.0, 3.0, 11.0, -0.994899988174438, 5.0, 1.78999996185303, 32.0, 0.88400000333786 -InChI%3D1S%2FC21H25ClO5%2Fc1-19-5-3-11%2824%297-14%2819%2915%2822%298-12-13-4-6-21%2827%2C17%2826%2910-23%2920%2813%2C2%299-16%2825%2918%2812%2919%2Fh3%2C5%2C7-8%2C12-13%2C16%2C18%2C23%2C25%2C27H%2C4%2C6%2C9-10H2%2C1-2H3%2Ft12%3F%2C13-%2C16-%2C18%2B%2C19-%2C20-%2C21-%2Fm0%2Fs1, 103.683296203613, 0.0, 2.0, 0.00454276008531451, , 8.0, 3.0, 30.0, 0.0, 4.0, 0.0, -0.0674000009894371, 2.0, 3.10999989509583, 52.0, 1.05799996852875 -InChI%3D1S%2FC10H14O4%2Fc1-13-9-4-2-3-5-10%289%2914-7-8%2812%296-11%2Fh2-5%2C8%2C11-12H%2C6-7H2%2C1H3, 26.8864002227783, 0.0, 3.0, 1.33102369308472, , 8.0, 2.0, 14.0, 6.0, 6.0, 6.0, -1.15369999408722, 5.0, 2.11999988555908, 28.0, 0.52700001001358 -InChI%3D1S%2FC19H16O4%2Fc1-12%2820%2911-15%2813-7-3-2-4-8-13%2917-18%2821%2914-9-5-6-10-16%2814%2923-19%2817%2922%2Fh2-10%2C15%2C21H%2C11H2%2C1H3, 34.7682991027832, 0.0, 4.0, 0.999800026416779, , 9.0, 1.0, 25.0, 12.0, 5.0, 12.0, -0.999899983406067, 4.0, 3.10999989509583, 41.0, 4.86899995803833 -InChI%3D1S%2FC12H8O4%2Fc1-14-12-10-8%284-5-15-10%296-7-2-3-9%2813%2916-11%287%2912%2Fh2-6H%2C1H3, 24.6411991119385, 0.0, 0.0, 0.0399200394749641, , 11.0, 0.0, 18.0, 10.0, 2.0, 6.0, -0.199799999594688, 1.0, 2.33999991416931, 26.0, 1.43499994277954 -InChI%3D1S%2FC17H21NO4%2Fc1-11%286-12-2-4-14%2819%295-3-12%2918-10-17%2822%2913-7-15%2820%299-16%2821%298-13%2Fh2-5%2C7-9%2C11%2C17-22H%2C6%2C10H2%2C1H3, 35.8305015563965, 0.0, 3.0, 5.00461626052856, , 8.0, 5.0, 23.0, 12.0, 7.0, 12.0, -2.23709988594055, 6.0, 2.77999997138977, 43.0, 1.63100004196167 -InChI%3D1S%2FC9H11Cl2N3O4S2%2Fc1-14-9%284-10%2913-6-2-5%2811%297%2819%2812%2C15%2916%293-8%286%2920%2814%2C17%2918%2Fh2-3%2C9%2C13H%2C4H2%2C1H3%2C%28H2%2C12%2C15%2C16%29, 50.4007987976074, 0.0, 0.0, 0.312145680189133, , 15.0, 2.0, 21.0, 6.0, 3.0, 6.0, -0.558700025081635, 2.0, 1.24000000953674, 31.0, -0.222000002861023 -InChI%3D1S%2FC16H13ClN2O%2Fc1-19-14-8-7-12%2817%299-13%2814%2916%2818-10-15%2819%2920%2911-5-3-2-4-6-11%2Fh2-9H%2C10H2%2C1H3, 29.9188995361328, 0.0, 0.0, 0.00913935992866755, , 17.0, 0.0, 22.0, 12.0, 0.0, 12.0, -0.095600001513958, 1.0, 2.77999997138977, 33.0, 3.85199999809265 -InChI%3D1S%2FC9H11NO2%2Fc1-2-12-8-6-4-3-5-7%288%299%2810%2911%2Fh3-6H%2C2H2%2C1H3%2C%28H2%2C10%2C11%29, 20.0860004425049, 0.0, 2.0, 0.013689000159502, , 10.0, 2.0, 12.0, 6.0, 3.0, 6.0, 0.116999998688698, 3.0, 2.11999988555908, 23.0, 2.62899994850159 -InChI%3D1S%2FC37H48I6N6O18%2Fc1-48%2832-28%2840%2922%2834%2864%2944-12%284-50%2916%2858%298-54%2926%2838%2923%2829%2832%2941%2935%2865%2945-13%285-51%2917%2859%299-55%2920%2862%293-21%2863%2949%282%2933-30%2842%2924%2836%2866%2946-14%286-52%2918%2860%2910-56%2927%2839%2925%2831%2833%2943%2937%2867%2947-15%287-53%2919%2861%2911-57%2Fh12-19%2C50-61H%2C3-11H2%2C1-2H3%2C%28H%2C44%2C64%29%28H%2C45%2C65%29%28H%2C46%2C66%29%28H%2C47%2C67%29, 243.690795898438, 3.0, 4.0, 0.777218580245972, , 15.0, 16.0, 68.0, 12.0, 10.0, 12.0, 0.881600022315979, 26.0, 2.23000001907349, 115.0, -2.13499999046326 -InChI%3D1S%2FC20H24O2%2Fc1-12-10-14-15-4-5-18%2822%2920%2815%2C3%299-7-16%2814%2919%282%298-6-13%2821%2911-17%2812%2919%2Fh6%2C8%2C11%2C14-16H%2C1%2C4-5%2C7%2C9-10H2%2C2-3H3%2Ft14%3F%2C15-%2C16-%2C19%3F%2C20%3F%2Fm0%2Fs1, 88.1526031494141, 0.0, 0.0, 2.59274411201477, , 8.0, 0.0, 25.0, 0.0, 0.0, 0.0, 1.61020004749298, 0.0, 3.44000005722046, 46.0, 3.81900000572205 -InChI%3D1S%2FC20H32O5%2Fc1-2-3-6-9-15%2821%2912-13-17-16%2818%2822%2914-19%2817%2923%2910-7-4-5-8-11-20%2824%2925%2Fh4%2C7%2C12-13%2C15-17%2C19%2C21%2C23H%2C2-3%2C5-6%2C8-11%2C14H2%2C1H3%2C%28H%2C24%2C25%29%2Fb7-4-%2C13-12%2B%2Ft15-%2C16%2B%2C17%3F%2C19%3F%2Fm0%2Fs1, 90.424201965332, 1.0, 8.0, 4.16690587997437, , 3.0, 3.0, 25.0, 0.0, 9.0, 0.0, -2.04130005836487, 12.0, 3.10999989509583, 57.0, 2.78999996185303 -InChI%3D1S%2FC17H24O3%2Fc1-12-9-14%2811-17%282%2C3%2910-12%2920-16%2819%2915%2818%2913-7-5-4-6-8-13%2Fh4-8%2C12%2C14-15%2C18H%2C9-11H2%2C1-3H3, 51.8087997436523, 1.0, 2.0, 0.860998392105103, , 6.0, 1.0, 21.0, 6.0, 5.0, 6.0, 0.927900016307831, 4.0, 3.0, 44.0, 5.66499996185303 -InChI%3D1S%2FC11H12N4O3S%2Fc1-18-11-7-6-10%2813-14-11%2915-19%2816%2C17%299-4-2-8%2812%293-5-9%2Fh2-7H%2C12H2%2C1H3%2C%28H%2C13%2C15%29, 22.679500579834, 0.0, 0.0, 3.02133917808533, , 18.0, 2.0, 20.0, 12.0, 4.0, 12.0, -1.73819994926453, 4.0, 1.78999996185303, 31.0, 1.26600003242493 -InChI%3D1S%2FC5H9NO3S%2Fc1-3%287%296-4%282-10%295%288%299%2Fh4%2C10H%2C2H2%2C1H3%2C%28H%2C6%2C7%29%28H%2C8%2C9%29%2Ft4-%2Fm0%2Fs1, 37.8466987609863, 0.0, 3.0, 0.00291600008495152, , 3.0, 2.0, 9.0, 0.0, 10.0, 0.0, 0.0540000014007092, 3.0, 1.46000003814697, 19.0, 0.0469999983906746 -InChI%3D1S%2FC43H48N2O6S2.Na%2Fc1-42%282%2938%2844%2828-14-16-30-52%2846%2C47%2948%2936-26-24-32-18-10-12-20-34%2832%2940%2836%2942%2922-8-6-5-7-9-23-39-43%283%2C4%2941-35-21-13-11-19-33%2835%2925-27-37%2841%2945%2839%2929-15-17-31-53%2849%2C50%2951%3B%2Fh5-13%2C18-27H%2C14-17%2C28-31H2%2C1-4H3%2C%28H-%2C46%2C47%2C48%2C49%2C50%2C51%29%3B%2Fq%3B%2B1%2Fp-1, , 2.0, 7.0, , , 31.0, 0.0, 58.0, 22.0, 8.0, 20.0, , 14.0, 4.98000001907349, 101.0, 10.539999961853 -InChI%3D1S%2FC23H24O4%2Fc1-16%2824%2926-21-12-8-19%289-13-21%2923%2818-6-4-3-5-7-18%2920-10-14-22%2815-11-20%2927-17%282%2925%2Fh8-15H%2C3-7H2%2C1-2H3, 49.7761993408203, 1.0, 2.0, 0.680625021457672, , 20.0, 0.0, 29.0, 12.0, 4.0, 12.0, -0.824999988079071, 6.0, 3.54999995231628, 51.0, 7.37099981307983 -InChI%3D1S%2FC16H21NO3.CH3Br%2Fc1-17-12-7-8-13%2817%2910-14%289-12%2920-16%2819%2915%2818%2911-5-3-2-4-6-11%3B1-2%2Fh2-6%2C12-15%2C18H%2C7-10H2%2C1H3%3B1H3%2Ft12-%2C13%2B%2C14%3F%2C15%3F%3B, 56.9096984863281, 0.0, 2.0, 0.81920599937439, , 6.0, 1.0, 23.0, 6.0, 5.0, 6.0, -0.905099987983704, 4.0, 2.77999997138977, 46.0, 4.56899976730347 -InChI%3D1S%2FC12H20N4O7%2Fc1-4%2818%2915-8-5%2816-12%2813%2914%292-7%2811%2821%2922%2923-10%288%299%2820%296%2819%293-17%2Fh2%2C5-6%2C8-10%2C17%2C19-20H%2C3H2%2C1H3%2C%28H%2C15%2C18%29%28H%2C21%2C22%29%28H4%2C13%2C14%2C16%29%2Ft5-%2C6%2B%2C8%2B%2C9%2B%2C10%3F%2Fm0%2Fs1, 72.8872985839844, 2.0, 3.0, 7.00925636291504, , 6.0, 8.0, 23.0, 0.0, 6.0, 0.0, -2.64750003814697, 7.0, 1.57000005245209, 43.0, -2.05800008773804 -InChI%3D1S%2FC19H35NO2%2Fc1-3-20%284-2%2915-16-22-18%2821%2919%2813-9-6-10-14-19%2917-11-7-5-8-12-17%2Fh17H%2C3-16H2%2C1-2H3, 80.1223983764648, 1.0, 2.0, 1.24813580513, , 3.0, 0.0, 23.0, 0.0, 10.0, 0.0, -1.1172000169754, 8.0, 3.22000002861023, 57.0, 5.4980001449585 -InChI%3D1S%2FC15H14ClN3O4S%2Fc16-8-6-24-14-10%2813%2821%2919%2814%2911%288%2915%2822%2923%2918-12%2820%299%2817%297-4-2-1-3-5-7%2Fh1-5%2C9-10%2C14H%2C6%2C17H2%2C%28H%2C18%2C20%29%28H%2C22%2C23%29%2Ft9-%2C10%3F%2C14-%2Fm1%2Fs1, 64.0505981445312, 0.0, 2.0, 0.803174436092377, , 8.0, 3.0, 26.0, 6.0, 5.0, 6.0, -0.896200001239777, 4.0, 2.11999988555908, 38.0, -0.609000027179718 -InChI%3D1S%2FC38H69NO13%2Fc1-15-26-38%2810%2C45%2931%2842%2921%284%2928%2840%2919%282%2917-37%289%2C47-14%2933%2852-35-29%2841%2925%2839%2811%2912%2916-20%283%2948-35%2922%285%2930%2823%286%2934%2844%2950-26%2951-27-18-36%288%2C46-13%2932%2843%2924%287%2949-27%2Fh19-27%2C29-33%2C35%2C41-43%2C45H%2C15-18H2%2C1-14H3%2Ft19-%2C20-%2C21%2B%2C22%3F%2C23-%2C24%2B%2C25%3F%2C26-%2C27%2B%2C29-%2C30%2B%2C31-%2C32%2B%2C33-%2C35%3F%2C36-%2C37-%2C38-%2Fm1%2Fs1, 186.231994628906, 1.0, 2.0, 4.21727275848389, , 3.0, 4.0, 54.0, 0.0, 2.0, 0.0, -2.05360007286072, 8.0, 4.09999990463257, 121.0, 1.6599999666214 -InChI%3D1S%2FC11H16N2O2%2Fc1-3-10-8%286-15-11%2810%2914%294-9-5-12-7-13%289%292%2Fh5%2C7-8%2C10H%2C3-4%2C6H2%2C1-2H3%2Ft8-%2C10%3F%2Fm0%2Fs1, 39.6986999511719, 0.0, 2.0, 0.347038805484772, , 5.0, 0.0, 16.0, 5.0, 2.0, 5.0, -0.589100003242493, 3.0, 2.23000001907349, 31.0, 1.307000041008 -InChI%3D1S%2FC13H17N%2Fc1-4-10-14%283%2912%282%2911-13-8-6-5-7-9-13%2Fh1%2C5-9%2C12H%2C10-11H2%2C2-3H3, 35.2331008911133, 0.0, 3.0, 0.912598073482513, , 6.0, 0.0, 14.0, 6.0, 8.0, 6.0, 0.955299973487854, 4.0, 2.77999997138977, 31.0, 4.47900009155273 -InChI%3D1S%2FC11H16N4O4%2Fc16-3-8-6%2817%291-9%2819-8%2915-5-14-10-7%2818%292-12-4-13-11%2810%2915%2Fh4-9%2C16-18H%2C1-3H2%2C%28H%2C12%2C13%29%2Ft6-%2C7%2B%2C8%3F%2C9%2B%2Fm0%2Fs1, 47.782299041748, 0.0, 0.0, 6.6321702003479, , 3.0, 5.0, 21.0, 5.0, 2.0, 0.0, -2.57529997825623, 2.0, 1.78999996185303, 35.0, -1.48099994659424 -InChI%3D1S%2FC6H13NO2%2Fc7-5-3-1-2-4-6%288%299%2Fh1-5%2C7H2%2C%28H%2C8%2C9%29, 29.4375991821289, 0.0, 6.0, 3.26633334159851, , 3.0, 2.0, 8.0, 0.0, 9.0, 0.0, -1.80729997158051, 5.0, 1.78999996185303, 22.0, 0.0480000004172325 -InChI%3D1S%2FC32H32O13S%2Fc1-37-19-6-13%287-20%2838-2%2925%2819%2933%2923-14-8-17-18%2842-12-41-17%299-15%2814%2928%2816-10-39-30%2836%2924%2816%2923%2944-32-27%2835%2926%2834%2929-21%2843-32%2911-40-31%2845-29%2922-4-3-5-46-22%2Fh3-9%2C16%2C21%2C23-24%2C26-29%2C31-35H%2C10-12H2%2C1-2H3%2Ft16%3F%2C21%3F%2C23-%2C24%2B%2C26-%2C27-%2C28%3F%2C29-%2C31%3F%2C32%3F%2Fm1%2Fs1, 93.2767028808594, 0.0, 0.0, 5.38611268997192, , 9.0, 3.0, 53.0, 17.0, 2.0, 17.0, -2.32080006599426, 6.0, 3.44000005722046, 78.0, 1.37399995326996 -InChI%3D1S%2FC56H78N2O16.2ClH%2Fc1-57%2823-19-37-33-45%2865-7%2953%2869-11%2955%2871-13%2949%2837%2939%2857%2927-35-29-41%2861-3%2951%2867-9%2942%2830-35%2962-4%2921-15-25-73-47%2859%2917-18-48%2860%2974-26-16-22-58%282%2924-20-38-34-46%2866-8%2954%2870-12%2956%2872-14%2950%2838%2940%2858%2928-36-31-43%2863-5%2952%2868-10%2944%2832-36%2964-6%3B%3B%2Fh29-34%2C39-40H%2C15-28H2%2C1-14H3%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2%2Ft39-%2C40%2B%2C57%3F%2C58%3F%3B%3B, , 2.0, 4.0, , , 9.0, 0.0, 79.0, 24.0, 14.0, 24.0, , 29.0, 5.42000007629395, 154.0, 5.23199987411499 -InChI%3D1S%2FC10H15N3O5%2Fc11-6%284-14%2910%2818%2913-12-3-5-1-2-7%2815%299%2817%298%285%2916%2Fh1-2%2C6%2C12%2C14-17H%2C3-4%2C11H2%2C%28H%2C13%2C18%29, 39.0041007995605, 1.0, 3.0, 10.4135293960571, , 9.0, 7.0, 18.0, 6.0, 9.0, 6.0, -3.22699999809265, 5.0, 1.67999994754791, 33.0, -0.0599999986588955 -InChI%3D1S%2FC29H24N4O8%2Fc34-25%2821-5-1-9-30-13-21%2938-17-29%2818-39-26%2835%2922-6-2-10-31-14-22%2C19-40-27%2836%2923-7-3-11-32-15-23%2920-41-28%2837%2924-8-4-12-33-16-24%2Fh1-16H%2C17-20H2, 46.636100769043, 2.0, 3.0, 0.473068833351135, , 9.0, 0.0, 44.0, 24.0, 17.0, 24.0, -0.687799990177155, 16.0, 3.32999992370605, 65.0, 3.40599989891052 -InChI%3D1S%2FC9H7N7O2S%2Fc1-15-4-14-7%2816%2817%2918%299%2815%2919-8-5-6%2811-2-10-5%2912-3-13-8%2Fh2-4H%2C1H3%2C%28H%2C10%2C11%2C12%2C13%29, 19.2740001678467, 0.0, 0.0, 0.434940248727798, , 8.0, 3.0, 21.0, 15.0, 2.0, 6.0, 0.659500002861023, 3.0, 1.35000002384186, 25.0, 0.365000009536743 -InChI%3D1S%2FC17H22N2O%2Fc1-17%2820-14-13-19%282%293%2C15-9-5-4-6-10-15%2916-11-7-8-12-18-16%2Fh4-12H%2C13-14H2%2C1-3H3, 33.3703994750977, 0.0, 2.0, 0.0583222508430481, , 6.0, 0.0, 21.0, 12.0, 8.0, 12.0, 0.241500005125999, 6.0, 3.0, 42.0, 4.49900007247925 -InChI%3D1S%2FC19H29NO%2Fc21-19%2817-9-3-1-4-10-17%2C18-11-5-2-6-12-18%2913-16-20-14-7-8-15-20%2Fh1%2C3-4%2C9-10%2C18%2C21H%2C2%2C5-8%2C11-16H2, 51.0782012939453, 1.0, 3.0, 4.92884397506714, , 6.0, 1.0, 23.0, 6.0, 4.0, 6.0, -2.22009992599487, 5.0, 3.32999992370605, 50.0, 5.60200023651123 -InChI%3D1S%2FC11H15NO2%2Fc1-8%282%297-14-11%2813%299-3-5-10%2812%296-4-9%2Fh3-6%2C8H%2C7%2C12H2%2C1-2H3, 29.4937992095947, 0.0, 3.0, 0.0657922476530075, , 10.0, 1.0, 14.0, 6.0, 7.0, 6.0, -0.256500005722046, 4.0, 2.33999991416931, 29.0, 2.40199995040894 -InChI%3D1S%2FC18H18ClN3S%2Fc1-21-8-10-22%2811-9-21%2918-14-12-13%2819%296-7-16%2814%2923-17-5-3-2-4-15%2817%2920-18%2Fh2-7%2C12H%2C8-11H2%2C1H3, 49.5512008666992, 0.0, 0.0, 1.04080808162689, , 15.0, 0.0, 26.0, 12.0, 0.0, 12.0, 1.02020001411438, 1.0, 2.89000010490417, 41.0, 4.63899993896484 -InChI%3D1S%2FC18H22ClNO%2Fc1-18%2821-14-13-20%282%293%2C15-7-5-4-6-8-15%2916-9-11-17%2819%2912-10-16%2Fh4-12H%2C13-14H2%2C1-3H3, 38.9860000610352, 1.0, 2.0, 0.97180163860321, , 6.0, 0.0, 22.0, 12.0, 8.0, 12.0, 0.98580002784729, 6.0, 3.10999989509583, 43.0, 5.60599994659424 -InChI%3D1S%2FC35H45Cl2NO6%2Fc1-33-14-12-26%2839%2920-24%2833%298-11-27-28-13-15-35%2843%2C34%2828%2C2%2921-29%2840%2932%2827%2933%2930%2841%2922-44-31%2842%295-3-4-23-6-9-25%2810-7-23%2938%2818-16-36%2919-17-37%2Fh6-7%2C9-10%2C12%2C14%2C20%2C27-29%2C32%2C40%2C43H%2C3-5%2C8%2C11%2C13%2C15-19%2C21-22H2%2C1-2H3%2Ft27%3F%2C28-%2C29-%2C32%2B%2C33-%2C34%3F%2C35-%2Fm0%2Fs1, 146.226898193359, 2.0, 4.0, 0.754987180233002, , 7.0, 2.0, 48.0, 6.0, 9.0, 6.0, 0.868900001049042, 13.0, 4.32000017166138, 89.0, 5.7039999961853 -InChI%3D1S%2FC12H16F3N%2Fc1-3-16-9%282%297-10-5-4-6-11%288-10%2912%2813%2C14%2915%2Fh4-6%2C8-9%2C16H%2C3%2C7H2%2C1-2H3, 33.8871002197266, 0.0, 3.0, 1.19617974758148, , 6.0, 1.0, 16.0, 6.0, 6.0, 6.0, 1.09370005130768, 5.0, 2.33999991416931, 32.0, 4.87599992752075 -InChI%3D1S%2FC14H10N4O5%2Fc19-13-8-17%2814%2820%2916-13%2915-7-11-5-6-12%2823-11%299-1-3-10%284-2-9%2918%2821%2922%2Fh1-7H%2C8H2%2C%28H%2C16%2C19%2C20%29, 32.3368988037109, 0.0, 0.0, 1.64070475101471, , 22.0, 1.0, 25.0, 11.0, 2.0, 11.0, -1.28090000152588, 4.0, 2.00999999046326, 33.0, 3.05299997329712 -InChI%3D1S%2FC6H7N3O%2Fc7-9-6%2810%295-1-3-8-4-2-5%2Fh1-4H%2C7H2%2C%28H%2C9%2C10%29, 12.7256002426147, 0.0, 0.0, 1.51363813877106, , 10.0, 2.0, 10.0, 6.0, 4.0, 6.0, -1.230299949646, 2.0, 1.67999994754791, 17.0, -0.570999979972839 -InChI%3D1S%2FC18H34N2O6S%2Fc1-5-6-10-7-11%2820%283%298-10%2917%2825%2919-12%289%282%2921%2916-14%2823%2913%2822%2915%2824%2918%2826-16%2927-4%2Fh9-16%2C18%2C21-24H%2C5-8H2%2C1-4H3%2C%28H%2C19%2C25%29%2Ft9-%2C10-%2C11%2B%2C12-%2C13%2B%2C14-%2C15-%2C16%3F%2C18-%2Fm1%2Fs1, 100.360702514648, 0.0, 3.0, 2.81098747253418, , 3.0, 5.0, 28.0, 0.0, 7.0, 0.0, -1.67659997940063, 7.0, 2.45000004768372, 61.0, 0.745000004768372 -InChI%3D1S%2FC17H26N2O4S%2Fc1-4-19-10-6-7-13%2819%2912-18-17%2820%2915-11-14%2824%2821%2C22%295-2%298-9-16%2815%2923-3%2Fh8-9%2C11%2C13H%2C4-7%2C10%2C12H2%2C1-3H3%2C%28H%2C18%2C20%29, 65.7714996337891, 0.0, 2.0, 0.445422768592834, , 13.0, 1.0, 25.0, 6.0, 5.0, 6.0, -0.667400002479553, 7.0, 2.55999994277954, 50.0, 2.11999988555908 -InChI%3D1S%2FC6H12O3%2Fc1-4-7-5%282%299-6%283%298-4%2Fh4-6H%2C1-3H3, 30.2247009277344, 0.0, 0.0, 0.916997730731964, , 0.0, 0.0, 9.0, 0.0, 0.0, 0.0, 0.957599997520447, 0.0, 1.78999996185303, 21.0, 1.22099995613098 -InChI%3D1S%2FC11H16N2O3%2Fc1-4-6-11%287%283%295-2%298%2814%2912-10%2816%2913-9%2811%2915%2Fh4%2C7H%2C1%2C5-6H2%2C2-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29, 56.3633003234863, 0.0, 4.0, 0.255125999450684, , 8.0, 2.0, 16.0, 0.0, 4.0, 0.0, -0.505100011825562, 4.0, 2.11999988555908, 32.0, 2.70300006866455 -InChI%3D1S%2FC10H16N2O3%2Fc1-4-6%283%2910%285-2%297%2813%2911-9%2815%2912-8%2810%2914%2Fh6H%2C4-5H2%2C1-3H3%2C%28H2%2C11%2C12%2C13%2C14%2C15%29, 51.8120002746582, 0.0, 4.0, 1.50528359413147, , 8.0, 2.0, 15.0, 0.0, 4.0, 0.0, -1.22689998149872, 3.0, 2.00999999046326, 31.0, 2.5 -InChI%3D1S%2FC23H28N4O11S%2Fc1-11%2838-21%2831%2923%282%2C3%2933-4%2937-20%2830%2916-12%289-36-22%2824%2932%2910-39-19-15%2818%2829%2927%2816%2919%2925-17%2828%2914%2826-34-5%2913-7-6-8-35-13%2Fh6-8%2C11%2C15%2C19H%2C9-10H2%2C1-5H3%2C%28H2%2C24%2C32%29%28H%2C25%2C28%29%2Fb26-14-%2Ft11%3F%2C15%3F%2C19-%2Fm1%2Fs1, 115.551002502441, 2.0, 3.0, 0.474721014499664, , 11.0, 3.0, 41.0, 5.0, 13.0, 5.0, 0.689000010490417, 14.0, 2.23000001907349, 67.0, 1.49500000476837 -InChI%3D1S%2FC22H30N4O2S2%2Fc1-23%282%2930%2827%2C28%2918-9-10-22-20%2817-18%2926%2819-7-4-5-8-21%2819%2929-22%2912-6-11-25-15-13-24%283%2914-16-25%2Fh4-5%2C7-10%2C17H%2C6%2C11-16H2%2C1-3H3, 75.9039993286133, 0.0, 3.0, 0.0474368408322334, , 17.0, 0.0, 33.0, 12.0, 6.0, 12.0, -0.217800006270409, 6.0, 3.0, 60.0, 2.71700000762939 -InChI%3D1S%2FC12H13I3N2O2%2Fc1-17%282%296-16-12-9%2814%295-8%2813%297%2811%2812%2915%293-4-10%2818%2919%2Fh5-6H%2C3-4H2%2C1-2H3%2C%28H%2C18%2C19%29, 79.9169006347656, 0.0, 3.0, 14.2642183303833, , 9.0, 1.0, 19.0, 6.0, 5.0, 6.0, 3.77679991722107, 5.0, 2.00999999046326, 32.0, 4.49700021743774 -InChI%3D1S%2FC11H9FN2O3%2Fc12-6-1-2-8-7%285-6%2911%283-4-17-8%299%2815%2913-10%2816%2914-11%2Fh1-2%2C5H%2C3-4H2%2C%28H2%2C13%2C14%2C15%2C16%29, 29.1723003387451, 0.0, 0.0, 0.277412891387939, , 7.0, 2.0, 19.0, 6.0, 0.0, 6.0, -0.526700019836426, 0.0, 2.00999999046326, 26.0, 0.976000010967255 -InChI%3D1S%2FC12H14N4O4S%2Fc1-19-11-7-10%2812%2820-2%2915-14-11%2916-21%2817%2C18%299-5-3-8%2813%294-6-9%2Fh3-7H%2C13H2%2C1-2H3%2C%28H%2C14%2C16%29, 29.9953002929688, 0.0, 0.0, 3.20409989356995, , 19.0, 2.0, 22.0, 12.0, 4.0, 12.0, -1.78999996185303, 5.0, 1.78999996185303, 35.0, 0.822000026702881 -InChI%3D1S%2FC28H33ClN2%2Fc1-28%282%2C3%2925-13-9-22%2810-14-25%2921-30-17-19-31%2820-18-30%2927%2823-7-5-4-6-8-23%2924-11-15-26%2829%2916-12-24%2Fh4-16%2C27H%2C17-21H2%2C1-3H3, 57.4972991943359, 1.0, 0.0, 5.44989013671875, , 6.0, 0.0, 34.0, 18.0, 3.0, 18.0, 2.3345000743866, 6.0, 4.21000003814697, 64.0, 9.93599987030029 -InChI%3D1S%2FC19H19N3O5S%2Fc1-9-11%2812%2821-27-9%2910-7-5-4-6-8-10%2915%2823%2920-13-16%2824%2922-14%2818%2825%2926%2919%282%2C3%2928-17%2813%2922%2Fh4-8%2C13-14%2C17H%2C1-3H3%2C%28H%2C20%2C23%29%28H%2C25%2C26%29%2Ft13%3F%2C14-%2C17%2B%2Fm0%2Fs1, 61.8734016418457, 0.0, 0.0, 0.110157608985901, , 6.0, 3.0, 31.0, 11.0, 3.0, 6.0, 0.331900000572205, 4.0, 2.55999994277954, 47.0, 3.08299994468689 -InChI%3D1S%2FC7H7NO3%2Fc8-4-1-2-5%287%2810%2911%296%289%293-4%2Fh1-3%2C9H%2C8H2%2C%28H%2C10%2C11%29, 14.0059995651245, 0.0, 0.0, 2.10249996185303, , 11.0, 3.0, 11.0, 6.0, 2.0, 6.0, -1.45000004768372, 1.0, 1.78999996185303, 18.0, 0.46900001168251 -InChI%3D1S%2FC27H34O3%2Fc1-27-16-15-22-21-11-9-20%2828%2917-19%2821%298-10-23%2822%2924%2827%2912-13-25%2827%2930-26%2829%2914-7-18-5-3-2-4-6-18%2Fh2-6%2C17%2C21-25H%2C7-16H2%2C1H3%2Ft21%3F%2C22-%2C23%3F%2C24%2B%2C25%2B%2C27%3F%2Fm1%2Fs1, 89.3463973999023, 1.0, 3.0, 0.117511838674545, , 6.0, 0.0, 34.0, 6.0, 5.0, 6.0, 0.342799991369247, 5.0, 4.09999990463257, 64.0, 7.69199991226196 -InChI%3D1S%2FC15H25NO3%2Fc1-12%282%2916-10-14%2817%2911-19-15-6-4-13%285-7-15%298-9-18-3%2Fh4-7%2C12%2C14%2C16-17H%2C8-11H2%2C1-3H3, 51.9810981750488, 0.0, 3.0, 0.631071388721466, , 7.0, 2.0, 19.0, 6.0, 9.0, 6.0, -0.794399976730347, 9.0, 2.67000007629395, 44.0, 2.03399991989136 -InChI%3D1S%2FC16H14FN3O%2Fc1-10-4-2-3-5-14%2810%2920-15%289-17%2919-13-7-6-11%2818%298-12%2813%2916%2820%2921%2Fh2-8H%2C9%2C18H2%2C1H3, 29.2278995513916, 0.0, 0.0, 0.29116815328598, , 17.0, 2.0, 23.0, 12.0, 2.0, 12.0, -0.539600014686584, 2.0, 2.67000007629395, 37.0, 3.54200005531311 -InChI%3D1S%2FC13H15N3O4S%2Fc1-8-9%282%2915-20-13%288%2916%2810%283%2917%2921%2818%2C19%2912-6-4-11%2814%295-7-12%2Fh4-7H%2C14H2%2C1-3H3, 38.5833015441895, 0.0, 0.0, 0.761430740356445, , 13.0, 2.0, 22.0, 11.0, 7.0, 6.0, -0.872600018978119, 4.0, 2.00999999046326, 36.0, 1.48599994182587 -InChI%3D1S%2FC7H11NO3%2Fc1-4-7%282%295%289%298%283%296%2810%2911-7%2Fh4H2%2C1-3H3, 36.276798248291, 0.0, 2.0, 0.0350812897086143, , 6.0, 0.0, 11.0, 0.0, 2.0, 0.0, -0.187299996614456, 1.0, 1.78999996185303, 22.0, 0.349000006914139 -InChI%3D1S%2FC16H22ClNO4%2Fc1-16%282%2C22-13-9-7-12%2817%298-10-13%2915%2820%2921-11-5-6-14%2819%2918%283%294%2Fh7-10H%2C5-6%2C11H2%2C1-4H3, 58.3022994995117, 0.0, 4.0, 0.177577957510948, , 7.0, 0.0, 22.0, 6.0, 15.0, 6.0, 0.421400010585785, 9.0, 2.55999994277954, 44.0, 2.61700010299683 -InChI%3D1S%2FC19H31NO%2Fc1-20%282%2915-10-16-21-19%2813-8-3-4-9-14-19%2917-18-11-6-5-7-12-18%2Fh5-7%2C11-12H%2C3-4%2C8-10%2C13-17H2%2C1-2H3, 55.8540992736816, 1.0, 3.0, 0.648991346359253, , 6.0, 0.0, 22.0, 6.0, 7.0, 6.0, -0.805599987506866, 7.0, 3.32999992370605, 52.0, 6.30999994277954 -InChI%3D1S%2FC22H30N2O2S%2Fc1-3-21%2825%2924%2819-8-5-4-6-9-19%2922%2818-26-2%2912-15-23%2816-13-22%2914-11-20-10-7-17-27-20%2Fh4-10%2C17H%2C3%2C11-16%2C18H2%2C1-2H3, 65.7833023071289, 0.0, 3.0, 1.20824062824249, , 9.0, 0.0, 29.0, 11.0, 5.0, 11.0, -1.09920001029968, 9.0, 3.32999992370605, 57.0, 4.80399990081787 -InChI%3D1S%2FC17H22NO.C11H8O3%2Fc1-18%282%2C15-16-9-5-3-6-10-16%2913-14-19-17-11-7-4-8-12-17%3B12-10-6-8-4-2-1-3-7%288%295-9%2810%2911%2813%2914%2Fh3-12H%2C13-15H2%2C1-2H3%3B1-6%2C12H%2C%28H%2C13%2C14%29%2Fq%2B1%3B%2Fp-1, 34.3684005737305, 1.0, 2.0, 5.72405624389648, , 14.0, 1.0, 35.0, 23.0, 7.0, 22.0, -2.39249992370605, 7.0, 3.99000000953674, 62.0, 8.7189998626709 -InChI%3D1S%2FC7H5I2NO3.C4H11NO2%2Fc8-4-1-10%283-6%2811%2912%292-5%289%297%284%2913%3B6-3-1-5-2-4-7%2Fh1-2H%2C3H2%2C%28H%2C11%2C12%29%3B5-7H%2C1-4H2, 91.2657012939453, , 2.0, 0.316293746232986, , 3.0, 4.0, 19.0, 0.0, 7.0, 0.0, 0.562399983406067, 6.0, 1.67999994754791, 40.0, -InChI%3D1S%2FC16H17N3O4S%2Fc1-8-7-24-15-11%2814%2821%2919%2815%2912%288%2916%2822%2923%2918-13%2820%2910%2817%299-5-3-2-4-6-9%2Fh2-6%2C10-11%2C15H%2C7%2C17H2%2C1H3%2C%28H%2C18%2C20%29%28H%2C22%2C23%29%2Ft10-%2C11%3F%2C15-%2Fm1%2Fs1, 63.6164016723633, 0.0, 2.0, 0.669942259788513, , 8.0, 3.0, 26.0, 6.0, 5.0, 6.0, -0.818499982357025, 4.0, 2.33999991416931, 41.0, -1.00499999523163 -InChI%3D1S%2FC20H22N2%2Fc1-22-13-10-16%2811-14-22%2919-18-7-3-2-5-15%2818%298-9-17-6-4-12-21-20%2817%2919%2Fh2-7%2C12H%2C8-11%2C13-14H2%2C1H3, 44.5318984985352, 0.0, 0.0, 0.724711716175079, , 14.0, 0.0, 25.0, 12.0, 0.0, 12.0, 0.851300001144409, 0.0, 3.44000005722046, 44.0, 4.83900022506714 -InChI%3D1S%2FC19H24N2O3%2Fc1-13%287-8-14-5-3-2-4-6-14%2921-12-18%2823%2915-9-10-17%2822%2916%2811-15%2919%2820%2924%2Fh2-6%2C9-11%2C13%2C18%2C21-23H%2C7-8%2C12H2%2C1H3%2C%28H2%2C20%2C24%29, 42.089298248291, 1.0, 4.0, 2.842933177948, , 10.0, 5.0, 25.0, 12.0, 8.0, 12.0, -1.68610000610352, 8.0, 3.0, 48.0, 5.25299978256226 -InChI%3D1S%2FC17H17N3O6S2%2Fc1-9%2821%2926-6-10-7-28-16-13%2815%2823%2920%2816%2914%2810%2917%2824%2925%2919-12%2822%298-27-11-2-4-18-5-3-11%2Fh2-5%2C13%2C16H%2C6-8H2%2C1H3%2C%28H%2C19%2C22%29%28H%2C24%2C25%29%2Ft13%3F%2C16-%2Fm1%2Fs1, 79.3532028198242, 0.0, 2.0, 0.0548964887857437, , 8.0, 2.0, 30.0, 6.0, 5.0, 6.0, -0.234300002455711, 8.0, 2.11999988555908, 45.0, -0.0790000036358833 -InChI%3D1S%2FC13H19ClN2O2%2Fc1-3-16%284-2%297-8-18-13%2817%2911-6-5-10%2815%299-12%2811%2914%2Fh5-6%2C9H%2C3-4%2C7-8%2C15H2%2C1-2H3, 48.4328002929688, 0.0, 2.0, 0.416153997182846, , 10.0, 1.0, 18.0, 6.0, 10.0, 6.0, 0.645099997520447, 7.0, 2.33999991416931, 37.0, 2.11899995803833 -InChI%3D1S%2FC12H15N5O3S%2Fc1-7-8%282%2920-12%2815-7%2916-11%2814%2917-21%2818%2C19%2910-5-3-9%2813%294-6-10%2Fh3-6H%2C13H2%2C1-2H3%2C%28H3%2C14%2C15%2C16%2C17%29, 37.1474990844727, 0.0, 0.0, 0.845848083496094, , 14.0, 5.0, 22.0, 11.0, 7.0, 6.0, -0.919700026512146, 5.0, 1.78999996185303, 36.0, 2.66599988937378 -InChI%3D1S%2FC32H41NO2%2Fc1-31%282%2C3%2926-18-16-25%2817-19-26%2930%2834%2915-10-22-33-23-20-29%2821-24-33%2932%2835%2C27-11-6-4-7-12-27%2928-13-8-5-9-14-28%2Fh4-9%2C11-14%2C16-19%2C29-30%2C34-35H%2C10%2C15%2C20-24H2%2C1-3H3, 61.4407005310059, 1.0, 4.0, 1.23165607452393, , 6.0, 2.0, 38.0, 18.0, 5.0, 18.0, -1.10979998111725, 9.0, 4.65000009536743, 76.0, 10.8970003128052 -InChI%3D1S%2FC25H35NO5%2Fc1-6-26%2819%282%2917-20-9-12-22%2828-3%2913-10-20%2915-7-8-16-31-25%2827%2921-11-14-23%2829-4%2924%2818-21%2930-5%2Fh9-14%2C18-19H%2C6-8%2C15-17H2%2C1-5H3, 70.5372009277344, 2.0, 4.0, 0.136974006891251, , 11.0, 0.0, 32.0, 12.0, 13.0, 12.0, -0.370099991559982, 14.0, 3.54999995231628, 66.0, 5.10699987411499 -InChI%3D1S%2FC20H25N3O%2Fc1-4-23%285-2%2920%2824%2914-9-16-15-7-6-8-17-19%2815%2913%2811-21-17%2910-18%2816%2922%283%2912-14%2Fh6-9%2C11%2C14%2C18%2C21H%2C4-5%2C10%2C12H2%2C1-3H3%2Ft14-%2C18-%2Fm1%2Fs1, 61.7127990722656, 0.0, 2.0, 0.113703839480877, , 9.0, 1.0, 27.0, 10.0, 7.0, 6.0, 0.337199985980988, 4.0, 3.22000002861023, 48.0, 2.22099995613098 -InChI%3D1S%2FC10H16N2OS%2Fc1-4-5-12-9%2813%298%286-7%282%293%2911-10%2812%2914%2Fh4%2C7-8H%2C1%2C5-6H2%2C2-3H3%2C%28H%2C11%2C14%29, 59.2346000671387, 0.0, 3.0, 3.31167197227478, , 5.0, 0.0, 14.0, 0.0, 4.0, 0.0, 1.81980001926422, 4.0, 2.11999988555908, 30.0, 1.88199996948242 -InChI%3D1S%2FC13H19NO%2Fc1-4-14%285-2%2911%283%2913%2815%2912-9-7-6-8-10-12%2Fh6-11H%2C4-5H2%2C1-3H3, 37.4464988708496, 0.0, 3.0, 0.121800996363163, , 8.0, 0.0, 15.0, 6.0, 9.0, 6.0, 0.349000006914139, 5.0, 2.67000007629395, 34.0, 3.82800006866455 -InChI%3D1S%2FC10H14N2O4%2Fc1-10%2812-11%2C9%2815%2916%295-6-2-3-7%2813%298%2814%294-6%2Fh2-4%2C12-14H%2C5%2C11H2%2C1H3%2C%28H%2C15%2C16%29%2Ft10-%2Fm0%2Fs1, 33.7226982116699, 0.0, 3.0, 2.89170026779175, , 8.0, 5.0, 16.0, 6.0, 8.0, 6.0, -1.70050001144409, 4.0, 1.89999997615814, 30.0, -0.0590000003576279 -InChI%3D1S%2FC12H19N3O%2Fc1-9%282%2915-12%2816%2911-6-4-10%285-7-11%298-14-13-3%2Fh4-7%2C9%2C13-14H%2C8H2%2C1-3H3%2C%28H%2C15%2C16%29, 39.6456985473633, 0.0, 0.0, 1.71479022502899, , 9.0, 3.0, 16.0, 6.0, 6.0, 6.0, -1.30949997901917, 6.0, 2.33999991416931, 35.0, 2.76900005340576 -InChI%3D1S%2FC17H21NO%2Fc1-18%282%2913-14-19-17%2815-9-5-3-6-10-15%2916-11-7-4-8-12-16%2Fh3-12%2C17H%2C13-14H2%2C1-2H3, 28.7327995300293, 1.0, 2.0, 0.00133224995806813, , 6.0, 0.0, 20.0, 12.0, 7.0, 12.0, 0.0364999994635582, 6.0, 3.10999989509583, 40.0, 5.72599983215332 -InChI%3D1S%2FC29H53NO5%2Fc1-5-7-9-11-12-13-14-15-16-18-24%2834-29%2833%2926%2830-22-31%2920-23%283%294%2921-27-25%2828%2832%2935-27%2919-17-10-8-6-2%2Fh22-27H%2C5-21H2%2C1-4H3%2C%28H%2C30%2C31%29%2Ft24-%2C25-%2C26%3F%2C27%3F%2Fm0%2Fs1, 114.795196533203, 2.0, 13.0, 14.9660663604736, , 3.0, 1.0, 35.0, 0.0, 24.0, 0.0, -3.8685998916626, 23.0, 3.99000000953674, 88.0, 10.4409999847412 -InChI%3D1S%2FC20H23N7O7%2Fc21-20-25-16-15%2818%2832%2926-20%2927%289-28%2912%288-23-16%297-22-11-3-1-10%282-4-11%2917%2831%2924-13%2819%2833%2934%295-6-14%2829%2930%2Fh1-4%2C9%2C12-13%2C22H%2C5-8H2%2C%28H%2C24%2C31%29%28H%2C29%2C30%29%28H%2C33%2C34%29%28H4%2C21%2C23%2C25%2C26%2C32%29, 84.397102355957, 3.0, 5.0, 14.5328683853149, , 10.0, 9.0, 36.0, 6.0, 12.0, 6.0, -3.81220006942749, 11.0, 2.11999988555908, 61.0, -1.05099999904633 -InChI%3D1S%2FC22H30N2%2Fc1-3-23%284-2%2915-10-16-24%2821-13-6-5-7-14-21%2922-17-19-11-8-9-12-20%2819%2918-22%2Fh5-9%2C11-14%2C22H%2C3-4%2C10%2C15-18H2%2C1-2H3, 51.24169921875, 1.0, 3.0, 0.293113946914673, , 7.0, 0.0, 26.0, 12.0, 9.0, 12.0, 0.541400015354156, 8.0, 3.66000008583069, 54.0, 7.01399993896484 -InChI%3D1S%2FC19H21NS%2Fc1-20%282%2913-7-11-17-16-9-4-3-8-15%2816%2914-21-19-12-6-5-10-18%2817%2919%2Fh3-6%2C8-12H%2C7%2C13-14H2%2C1-2H3, 43.519401550293, 1.0, 3.0, 0.665529668331146, , 14.0, 0.0, 23.0, 12.0, 6.0, 12.0, 0.81580001115799, 3.0, 3.32999992370605, 42.0, 5.85099983215332 -InChI%3D1S%2FC12H19NO3%2Fc1-9%282%2913-7-11%2815%298-16-12-5-3-10%2814%294-6-12%2Fh3-6%2C9%2C11%2C13-15H%2C7-8H2%2C1-2H3, 38.0658988952637, 0.0, 3.0, 2.16119408607483, , 8.0, 3.0, 16.0, 6.0, 9.0, 6.0, -1.47010004520416, 6.0, 2.33999991416931, 35.0, 1.21399998664856 -InChI%3D1S%2FC24H21I6N5O8%2Fc1-7%2837%2935%283%2920-17%2829%2910%2821%2839%2931-2%2913%2825%2911%2818%2820%2930%2923%2841%2933-6-8%2838%2934-19-15%2827%299%2822%2840%2932-4-5-36%2914%2826%2912%2816%2819%2928%2924%2842%2943%2Fh36H%2C4-6H2%2C1-3H3%2C%28H%2C31%2C39%29%28H%2C32%2C40%29%28H%2C33%2C41%29%28H%2C34%2C38%29%28H%2C42%2C43%29, 165.145401000977, 3.0, 2.0, 40.1284255981445, , 15.0, 6.0, 44.0, 12.0, 7.0, 12.0, 6.33470010757446, 11.0, 2.00999999046326, 64.0, 4.76200008392334 -InChI%3D1S%2FC15H14O3%2Fc1-11%2815%2816%2917%2912-6-5-9-14%2810-12%2918-13-7-3-2-4-8-13%2Fh2-11H%2C1H3%2C%28H%2C16%2C17%29, 18.1924991607666, 0.0, 3.0, 0.00982080958783627, , 13.0, 1.0, 19.0, 12.0, 5.0, 12.0, -0.0991000011563301, 4.0, 2.77999997138977, 32.0, 4.62799978256226 -InChI%3D1S%2FC19H27N5O3%2Fc1-4-6-17%2825%2923-7-5-8-24%2810-9-23%2919-21-14-12-16%2827-3%2915%2826-2%2911-13%2814%2918%2820%2922-19%2Fh11-12H%2C4-10H2%2C1-3H3%2C%28H2%2C20%2C21%2C22%29, 75.4775009155273, 0.0, 4.0, 1.81521725654602, , 12.0, 3.0, 29.0, 6.0, 5.0, 6.0, -1.34730005264282, 6.0, 2.67000007629395, 56.0, 1.52900004386902 -InChI%3D1S%2FC5H15N2O3PS%2Fc6-2-1-3-7-4-5-12-11%288%2C9%2910%2Fh7H%2C1-6H2%2C%28H2%2C8%2C9%2C10%29, 48.5896987915039, 0.0, 3.0, 1.56200003623962, , 4.0, 4.0, 11.0, 0.0, 12.0, 0.0, -1.24979996681213, 7.0, 1.24000000953674, 27.0, -1.86600005626678 -InChI%3D1S%2FC17H18N2O5S%2Fc18-25%2822%2C23%2915-11-12%2817%2820%2921%2910-14%2819-8-4-5-9-19%2916%2815%2924-13-6-2-1-3-7-13%2Fh1-3%2C6-7%2C10-11H%2C4-5%2C8-9H2%2C%28H%2C20%2C21%29%28H2%2C18%2C22%2C23%29, 38.1255989074707, 0.0, 0.0, 3.49690008163452, , 21.0, 2.0, 27.0, 12.0, 3.0, 12.0, -1.87000000476837, 5.0, 2.45000004768372, 43.0, 2.32100009918213 -InChI%3D1S%2FC24H33NO3%2Fc1-3-25%284-2%2914-16-28-24%2826%2921%2818-22-12-8-15-27-22%2917-20-11-7-10-19-9-5-6-13-23%2819%2920%2Fh5-7%2C9-11%2C13%2C21-22H%2C3-4%2C8%2C12%2C14-18H2%2C1-2H3, 66.9755020141602, 2.0, 3.0, 0.0985332131385803, , 10.0, 0.0, 30.0, 11.0, 13.0, 10.0, 0.313899993896484, 11.0, 3.66000008583069, 61.0, 7.12599992752075 -InChI%3D1S%2FC8H7ClN2O2S%2Fc1-5-10-7-3-2-6%289%294-8%287%2914%2812%2C13%2911-5%2Fh2-4H%2C1H3%2C%28H%2C10%2C11%29, 28.380199432373, 0.0, 0.0, 0.0217857602983713, , 12.0, 1.0, 15.0, 6.0, 0.0, 6.0, -0.147599995136261, 0.0, 1.67999994754791, 21.0, 1.42700004577637 -InChI%3D1S%2FC14H12O3%2Fc1-7-4-12%2815%2917-14-9%283%2913-10%286-11%287%2914%295-8%282%2916-13%2Fh4-6H%2C1-3H3, 32.2299003601074, 0.0, 0.0, 1.00902020931244, , 12.0, 0.0, 19.0, 10.0, 0.0, 9.0, 1.00450003147125, 0.0, 2.67000007629395, 31.0, 2.99600005149841 -InChI%3D1S%2FC9H6O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-6H, 15.7062997817993, 0.0, 0.0, 3.72100003005471e-05, , 9.0, 0.0, 12.0, 6.0, 0.0, 6.0, 0.00609999988228083, 0.0, 2.23000001907349, 19.0, 2.45099997520447 -InChI%3D1S%2FC19H20N2O2%2Fc1-2-3-14-17-18%2822%2920%2815-10-6-4-7-11-15%2921%2819%2817%2923%2916-12-8-5-9-13-16%2Fh4-13%2C17H%2C2-3%2C14H2%2C1H3, 34.6782989501953, 1.0, 4.0, 2.83383560180664, , 18.0, 0.0, 25.0, 12.0, 4.0, 12.0, -1.68340003490448, 5.0, 3.10999989509583, 43.0, 5.66400003433228 -InChI%3D1S%2FC10H14N4O4%2Fc1-12-8-7%289%2817%2913%282%2910%2812%2918%2914%285-11-8%293-6%2816%294-15%2Fh5-6%2C15-16H%2C3-4H2%2C1-2H3, 47.1269989013672, 0.0, 3.0, 2.19395351409912, , 6.0, 3.0, 19.0, 5.0, 5.0, 0.0, -1.4811999797821, 3.0, 1.67999994754791, 32.0, -2.00600004196167 -InChI%3D1S%2FC19H25N5O4%2Fc1-26-15-10-12-13%2811-16%2815%2927-2%2921-19%2822-17%2812%2920%2924-7-5-23%286-8-24%2918%2825%2914-4-3-9-28-14%2Fh10-11%2C14H%2C3-9H2%2C1-2H3%2C%28H2%2C20%2C21%2C22%29, 74.6837005615234, 0.0, 0.0, 3.00328898429871, , 12.0, 3.0, 31.0, 6.0, 2.0, 6.0, -1.73300004005432, 5.0, 2.55999994277954, 55.0, 0.439999997615814 -InChI%3D1S%2FC28H37FO7%2Fc1-15%282%2924%2834%2936-28%2823%2833%2914-35-17%284%2930%2916%283%2911-21-20-8-7-18-12-19%2831%299-10-25%2818%2C5%2927%2820%2C29%2922%2832%2913-26%2821%2C28%296%2Fh9-10%2C12%2C15-16%2C20-22%2C32H%2C7-8%2C11%2C13-14H2%2C1-6H3%2Ft16-%2C20-%2C21%3F%2C22-%2C25-%2C26-%2C27%3F%2C28-%2Fm0%2Fs1, 129.260498046875, 0.0, 3.0, 0.290089964866638, , 6.0, 1.0, 39.0, 0.0, 7.0, 0.0, 0.538600027561188, 7.0, 3.66000008583069, 73.0, 2.73499989509583 -InChI%3D1S%2FC17H35N5O6%2Fc1-7%2819%299-5-4-8%2820%2917%2827-9%2928-15-11%2821%2913%2824%2916%2826-3%2912%2814%2815%2925%2922%282%2910%2823%296-18%2Fh7-9%2C11-17%2C24-25H%2C4-6%2C18-21H2%2C1-3H3%2Ft7-%2C8%3F%2C9-%2C11-%2C12-%2C13-%2C14%2B%2C15%3F%2C16%3F%2C17%2B%2Fm0%2Fs1, 95.7522964477539, 2.0, 2.0, 34.3466339111328, , 3.0, 6.0, 29.0, 0.0, 6.0, 0.0, -5.86059999465942, 7.0, 2.11999988555908, 63.0, -3.91300010681152 -InChI%3D1S%2FC22H22N2O8%2Fc1-7-8-5-4-6-9%2825%2911%288%2916%2826%2912-10%287%2917%2827%2914-15%2824%282%293%2918%2828%2913%2821%2823%2931%2920%2830%2922%2814%2C32%2919%2812%2929%2Fh4-6%2C10%2C14-15%2C17%2C25%2C27-29%2C32H%2C1H2%2C2-3H3%2C%28H2%2C23%2C31%29%2Ft10-%2C14-%2C15%2B%2C17%2B%2C22%2B%2Fm1%2Fs1, 87.1699981689453, 1.0, 0.0, 7.10169219970703, , 14.0, 7.0, 35.0, 6.0, 2.0, 6.0, -2.66490006446838, 2.0, 2.77999997138977, 54.0, 0.695999979972839 -InChI%3D1S%2FC18H23NO%2Fc1-15-9-7-8-12-17%2815%2918%2820-14-13-19%282%293%2916-10-5-4-6-11-16%2Fh4-12%2C18H%2C13-14H2%2C1-3H3, 34.2349014282227, 1.0, 2.0, 0.460362255573273, , 6.0, 0.0, 21.0, 12.0, 7.0, 12.0, 0.67849999666214, 6.0, 3.22000002861023, 43.0, 6.04899978637695 -InChI%3D1S%2FC4H6O4%2Fc5-3%286%291-2-4%287%298%2Fh1-2H2%2C%28H%2C5%2C6%29%28H%2C7%2C8%29, 23.5370006561279, 0.0, 4.0, 0.168099999427795, , 3.0, 2.0, 7.0, 0.0, 8.0, 0.0, -0.409999996423721, 3.0, 1.46000003814697, 14.0, -0.709999978542328 -InChI%3D1S%2FC9H8O4%2Fc1-6%2810%2913-8-5-3-2-4-7%288%299%2811%2912%2Fh2-5H%2C1H3%2C%28H%2C11%2C12%29, 18.9354000091553, 0.0, 2.0, 0.103041000664234, , 12.0, 1.0, 13.0, 6.0, 4.0, 6.0, -0.321000009775162, 3.0, 2.00999999046326, 21.0, 2.02099990844727 -InChI%3D1S%2FC17H16ClN3O%2Fc18-12-5-6-15-13%2811-12%2917%2821-9-7-19-8-10-21%2920-14-3-1-2-4-16%2814%2922-15%2Fh1-6%2C11%2C19H%2C7-10H2, 38.0820999145508, 0.0, 0.0, 0.0678081586956978, , 16.0, 1.0, 25.0, 12.0, 0.0, 12.0, -0.260399997234344, 1.0, 2.77999997138977, 38.0, 4.06899976730347 -InChI%3D1S%2FC27H43NO9%2Fc1-11-4-5-14-24%283%2C34%2916-12%2810-28%2814%299-11%2913-8-25-21%2826%2813%2C35%2922%2833%2917%2816%2930%2919%2832%2918%2831%2920-23%2825%2C2%297-6-15%2829%2927%2820%2C36%2937-25%2Fh11-22%2C29-36H%2C4-10H2%2C1-3H3%2Ft11-%2C12%3F%2C13-%2C14-%2C15-%2C16%2B%2C17%2B%2C18-%2C19%2B%2C20-%2C21%2B%2C22-%2C23-%2C24%2B%2C25%3F%2C26%3F%2C27%3F%2Fm0%2Fs1, 120.46549987793, 1.0, 0.0, 33.8514518737793, , 0.0, 8.0, 43.0, 0.0, 0.0, 0.0, -5.81820011138916, 0.0, 3.32999992370605, 80.0, -0.41499999165535 -InChI%3D1S%2FC7H11NO2%2Fc1-3-7%282%294-5%289%298-6%287%2910%2Fh3-4H2%2C1-2H3%2C%28H%2C8%2C9%2C10%29, 36.2402000427246, 0.0, 0.0, 0.0563587583601475, , 5.0, 1.0, 10.0, 0.0, 1.0, 0.0, -0.237399995326996, 1.0, 1.89999997615814, 21.0, 0.750999987125397 -InChI%3D1S%2FC16H16N2O6S2%2Fc1-8%2819%2924-6-9-7-26-15-12%2814%2821%2918%2815%2913%289%2916%2822%2923%2917-11%2820%295-10-3-2-4-25-10%2Fh2-4%2C12%2C15H%2C5-7H2%2C1H3%2C%28H%2C17%2C20%29%28H%2C22%2C23%29%2Ft12-%2C15-%2Fm1%2Fs1, 79.3404006958008, 0.0, 2.0, 5.28999999005464e-06, , 8.0, 2.0, 28.0, 5.0, 5.0, 5.0, 0.00230000005103648, 7.0, 2.11999988555908, 42.0, 0.384999990463257 -InChI%3D1S%2FC27H29NO10%2Fc1-10-22%2830%2914%2828%297-17%2837-10%2938-16-9-27%2835%2C11%282%2929%298-13-19%2816%2926%2834%2921-20%2824%2813%2932%2923%2831%2912-5-4-6-15%2836-3%2918%2812%2925%2821%2933%2Fh4-6%2C10%2C14%2C16-17%2C22%2C30%2C32%2C34-35H%2C7-9%2C28H2%2C1-3H3%2Ft10-%2C14-%2C16-%2C17-%2C22%2B%2C27-%2Fm0%2Fs1, 83.5857009887695, 0.0, 0.0, 14.0385103225708, , 19.0, 5.0, 42.0, 12.0, 2.0, 12.0, -3.7467999458313, 4.0, 3.22000002861023, 67.0, -1.07099997997284 -InChI%3D1S%2FC8H8O3%2Fc1-11-8%2810%296-2-4-7%289%295-3-6%2Fh2-5%2C9H%2C1H3, 14.5530004501343, 0.0, 0.0, 0.201690807938576, , 10.0, 1.0, 11.0, 6.0, 4.0, 6.0, -0.449099987745285, 2.0, 2.00999999046326, 19.0, 1.39100003242493 -InChI%3D1S%2FC19H17ClN2O%2Fc20-15-8-9-17-16%2810-15%2919%2814-4-2-1-3-5-14%2921-11-18%2823%2922%2817%2912-13-6-7-13%2Fh1-5%2C8-10%2C13H%2C6-7%2C11-12H2, 40.6408004760742, 0.0, 0.0, 0.000353440002072603, , 17.0, 0.0, 26.0, 12.0, 0.0, 12.0, 0.0187999997287989, 3.0, 3.10999989509583, 40.0, 4.59000015258789 -InChI%3D1S%2FC9H13N3O5%2Fc10-5-1-2-12%289%2816%2911-5%298-7%2815%296%2814%294%283-13%2917-8%2Fh1-2%2C4%2C6-8%2C13-15H%2C3H2%2C%28H2%2C10%2C11%2C16%29%2Ft4%3F%2C6-%2C7%2B%2C8%3F%2Fm1%2Fs1, 54.2067985534668, 1.0, 0.0, 2.89442157745361, , 3.0, 6.0, 18.0, 0.0, 2.0, 0.0, -1.70130002498627, 2.0, 1.57000005245209, 34.0, -1.93099999427795 -InChI%3D1S%2FC10H14N4O3%2Fc1-6%2815%294-14-5-11-8-7%2814%299%2816%2913%283%2910%2817%2912%288%292%2Fh5-6%2C15H%2C4H2%2C1-3H3, 45.7489013671875, 0.0, 3.0, 0.962753415107727, , 6.0, 2.0, 18.0, 5.0, 4.0, 0.0, -0.981199979782104, 2.0, 1.78999996185303, 31.0, -0.874000012874603 -InChI%3D1S%2FC6H9N3O3%2Fc1-5-7-4-6%289%2811%2912%298%285%292-3-10%2Fh4%2C10H%2C2-3H2%2C1H3, 23.6714992523193, 0.0, 2.0, 0.175728633999825, , 2.0, 2.0, 12.0, 5.0, 3.0, 0.0, -0.419200003147125, 3.0, 1.46000003814697, 21.0, 0.017000000923872 -InChI%3D1S%2FC14H10N2O6%2Fc17-11-3-1-7%285-9%2811%2913%2819%2920%2915-16-8-2-4-12%2818%2910%286-8%2914%2821%2922%2Fh1-6%2C17-18H%2C%28H%2C19%2C20%29%28H%2C21%2C22%29, 19.5678005218506, 0.0, 0.0, 1.96056008338928, , 22.0, 4.0, 23.0, 12.0, 3.0, 12.0, -1.40020000934601, 4.0, 2.11999988555908, 32.0, 3.08400011062622 -InChI%3D1S%2FC11H11ClO3%2Fc1-2-5-15-10-4-3-8%286-9%2810%2912%297-11%2813%2914%2Fh2-4%2C6H%2C1%2C5%2C7H2%2C%28H%2C13%2C14%29, 33.8625984191895, 0.0, 3.0, 1.21947848796844, , 7.0, 1.0, 15.0, 6.0, 4.0, 6.0, 1.10430002212524, 5.0, 2.23000001907349, 26.0, 2.29200005531311 -InChI%3D1S%2FC13H21NO3%2Fc1-13%282%2C3%2914-7-12%2817%299-4-5-11%2816%2910%286-9%298-15%2Fh4-6%2C12%2C14-17H%2C7-8H2%2C1-3H3, 43.3166007995605, 0.0, 2.0, 0.631866037845612, , 7.0, 4.0, 17.0, 6.0, 8.0, 6.0, -0.794900000095367, 5.0, 2.45000004768372, 38.0, 1.17299997806549 -InChI%3D1S%2FC11H21N%2Fc1-10%282%298-5-6-9%287-8%2911%2810%2C3%2912-4%2Fh8-9%2C12H%2C5-7H2%2C1-4H3, 50.0315017700195, 0.0, 0.0, 0.507086396217346, , 0.0, 1.0, 13.0, 0.0, 2.0, 0.0, 0.712100028991699, 1.0, 2.55999994277954, 33.0, 2.65700006484985 -InChI%3D1S%2FC14H21N3O3S%2Fc1-12-6-8-13%289-7-12%2921%2819%2C20%2916-14%2818%2915-17-10-4-2-3-5-11-17%2Fh6-9H%2C2-5%2C10-11H2%2C1H3%2C%28H2%2C15%2C16%2C18%29, 49.0900001525879, 0.0, 0.0, 0.947312891483307, , 14.0, 2.0, 22.0, 6.0, 7.0, 6.0, -0.973299980163574, 4.0, 2.23000001907349, 42.0, 3.71499991416931 -InChI%3D1S%2FC19H19NOS%2Fc1-20-9-6-13%287-10-20%2918-15-5-3-2-4-14%2815%2912-17%2821%2919-16%2818%298-11-22-19%2Fh2-5%2C8%2C11H%2C6-7%2C9-10%2C12H2%2C1H3, 52.4897994995117, 0.0, 0.0, 1.18396162986755, , 15.0, 0.0, 25.0, 11.0, 0.0, 11.0, 1.08809995651245, 0.0, 3.22000002861023, 41.0, 3.88599991798401 -InChI%3D1S%2FC28H31FN4O%2Fc1-34-25-12-8-21%289-13-25%2914-17-32-18-15-24%2816-19-32%2930-28-31-26-4-2-3-5-27%2826%2933%2828%2920-22-6-10-23%2829%2911-7-22%2Fh2-13%2C24H%2C14-20H2%2C1H3%2C%28H%2C30%2C31%29, 54.714298248291, 1.0, 2.0, 0.216132014989853, , 10.0, 1.0, 38.0, 18.0, 2.0, 18.0, -0.464899986982346, 7.0, 3.88000011444092, 65.0, 7.51800012588501 -InChI%3D1S%2FC14H21N3O3S%2Fc1-10-7-8-12%289-13%2810%2915%2921%2819%2C20%2917-14%2818%2916-11-5-3-2-4-6-11%2Fh7-9%2C11H%2C2-6%2C15H2%2C1H3%2C%28H2%2C16%2C17%2C18%29, 47.2057991027832, 0.0, 0.0, 4.8845419883728, , 14.0, 3.0, 22.0, 6.0, 7.0, 6.0, -2.21009993553162, 4.0, 2.23000001907349, 42.0, 2.45199990272522 -InChI%3D1S%2FC8H8F3N3O4S2%2Fc9-8%2810%2C11%294-1-5-7%282-6%284%2919%2812%2C15%2916%2920%2817%2C18%2914-3-13-5%2Fh1-2%2C13-14H%2C3H2%2C%28H2%2C12%2C15%2C16%29, 36.2517013549805, 0.0, 0.0, 1.41562402248383, , 15.0, 3.0, 21.0, 6.0, 4.0, 6.0, -1.18980002403259, 2.0, 1.01999998092651, 28.0, -0.245000004768372 -InChI%3D1S%2FC28H31N3O6%2Fc1-18-24%2827%2832%2936-3%2926%2821-11-7-12-22%2815-21%2931%2834%2935%2925%2819%282%2929-18%2928%2833%2937-23-13-8-14-30%2817-23%2916-20-9-5-4-6-10-20%2Fh4-7%2C9-12%2C15%2C23%2C26%2C29H%2C8%2C13-14%2C16-17H2%2C1-3H3%2Ft23-%2C26-%2Fm1%2Fs1, 82.6865005493164, 1.0, 0.0, 0.280370235443115, , 11.0, 1.0, 40.0, 12.0, 4.0, 12.0, -0.529500007629395, 9.0, 3.54999995231628, 68.0, 7.21400022506714 -InChI%3D1S%2FC20H31NO%2Fc22-20%2818-10-4-1-5-11-18%2C19-12-6-2-7-13-19%2914-17-21-15-8-3-9-16-21%2Fh1%2C4-5%2C10-11%2C19%2C22H%2C2-3%2C6-9%2C12-17H2, 53.9897994995117, 1.0, 3.0, 6.29056549072266, , 6.0, 1.0, 24.0, 6.0, 4.0, 6.0, -2.5081000328064, 5.0, 3.44000005722046, 53.0, 5.96000003814697 -InChI%3D1S%2FC21H26O2%2Fc1-4-21%2822%2912-10-19-18-7-5-14-13-15%2823-3%296-8-16%2814%2917%2818%299-11-20%2819%2C21%292%2Fh1%2C6%2C8%2C13%2C17-19%2C22H%2C5%2C7%2C9-12H2%2C2-3H3%2Ft17-%2C18%3F%2C19%2B%2C20%3F%2C21%2B%2Fm1%2Fs1, 65.5568008422852, 1.0, 2.0, 1.02535879611969, , 7.0, 1.0, 26.0, 6.0, 2.0, 6.0, 1.01259994506836, 1.0, 3.54999995231628, 49.0, 5.18599987030029 -InChI%3D1S%2FC18H26ClN3O%2Fc1-3-22%2811-12-23%2910-4-5-14%282%2921-17-8-9-20-18-13-15%2819%296-7-16%2817%2918%2Fh6-9%2C13-14%2C23H%2C3-5%2C10-12H2%2C1-2H3%2C%28H%2C20%2C21%29, 53.6250991821289, 0.0, 5.0, 0.0965966433286667, , 11.0, 2.0, 24.0, 11.0, 12.0, 10.0, -0.310799986124039, 9.0, 2.89000010490417, 49.0, 3.01600003242493 -InChI%3D1S%2FC15H14FN3O3%2Fc1-3-22-15%2821%2913-12-7-18%282%2914%2820%2910-6-9%2816%294-5-11%2810%2919%2812%298-17-13%2Fh4-6%2C8H%2C3%2C7H2%2C1-2H3, 37.9030990600586, 0.0, 2.0, 0.0545689612627029, , 10.0, 1.0, 24.0, 11.0, 5.0, 6.0, 0.233600005507469, 3.0, 2.33999991416931, 36.0, 1.82299995422363 -InChI%3D1S%2FC19H21N5O2%2Fc1-22-9-11-23%2812-10-22%2913-17%2825%2924-16-7-3-2-5-14%2816%2919%2826%2921-15-6-4-8-20-18%2815%2924%2Fh2-8H%2C9-13H2%2C1H3%2C%28H%2C21%2C26%29, 50.8213996887207, 0.0, 2.0, 0.552197635173798, , 18.0, 1.0, 29.0, 12.0, 3.0, 12.0, -0.743099987506866, 3.0, 2.77999997138977, 47.0, 2.1489999294281 -InChI%3D1S%2FC18H24I3N3O8%2Fc1-24%284-9%2828%296-26%2918%2831%2912-13%2819%2911%2817%2830%2922-3-8%2827%295-25%2914%2820%2916%2815%2812%2921%2923-10%2829%297-32-2%2Fh8-9%2C25-28H%2C3-7H2%2C1-2H3%2C%28H%2C22%2C30%29%28H%2C23%2C29%29, 119.523597717285, 3.0, 3.0, 1.41895747184753, , 15.0, 6.0, 32.0, 6.0, 9.0, 6.0, 1.19120001792908, 12.0, 1.89999997615814, 56.0, -0.135000005364418 -InChI%3D1S%2FC10H20O2%2Fc1-9%282%2C11%298-4-6-10%283%2C12%297-5-8%2Fh8%2C11-12H%2C4-7H2%2C1-3H3, 47.5427017211914, 0.0, 0.0, 0.29637137055397, , 0.0, 2.0, 12.0, 0.0, 3.0, 0.0, 0.544399976730347, 1.0, 2.33999991416931, 32.0, 1.57700002193451 -InChI%3D1S%2FC10H13N5O4%2Fc11-8-5-9%2813-2-12-8%2915%283-14-5%2910-7%2818%296%2817%294%281-16%2919-10%2Fh2-4%2C6-7%2C10%2C16-18H%2C1H2%2C%28H2%2C11%2C12%2C13%29%2Ft4%3F%2C6-%2C7-%2C10%3F%2Fm1%2Fs1, 34.5163993835449, 0.0, 0.0, 5.19429683685303, , 9.0, 5.0, 21.0, 10.0, 2.0, 6.0, -2.27909994125366, 2.0, 1.57000005245209, 32.0, -1.80900001525879 -InChI%3D1S%2FC5H11NO2%2Fc1-6%282%2C3%294-5%287%298%2Fh4H2%2C1-3H3, 26.593599319458, 0.0, 2.0, 5.09134101867676, , 3.0, 0.0, 7.0, 0.0, 8.0, 0.0, -2.2564001083374, 2.0, 1.67999994754791, 19.0, -1.22699999809265 -InChI%3D1S%2FC10H22Cl2N2O4%2Fc11-1-3-13-5-7%2815%299%2817%2910%2818%298%2816%296-14-4-2-12%2Fh7-10%2C13-18H%2C1-6H2%2Ft7-%2C8-%2C9-%2C10-%2Fm1%2Fs1, 69.9543991088867, 2.0, 6.0, 1.75668513774872, , 0.0, 6.0, 17.0, 0.0, 18.0, 0.0, -1.32539999485016, 11.0, 1.67999994754791, 40.0, -1.72000002861023 -InChI%3D1S%2FC33H49NO10S%2Fc1-21-17-23-24-12-14-33%2840%2C32%2824%2C3%2919-26%2836%2930%2823%2931%282%2913-11-22%2835%2918-25%2821%2931%2927%2837%2920-44-29%2839%2910-8-6-5-7-9-28%2838%2934%284%2915-16-45%2841%2C42%2943%2Fh11%2C13%2C18%2C21%2C23-24%2C26%2C30%2C36%2C40H%2C5-10%2C12%2C14-17%2C19-20H2%2C1-4H3%2C%28H%2C41%2C42%2C43%29%2Ft21-%2C23-%2C24%3F%2C26-%2C30%3F%2C31-%2C32-%2C33-%2Fm0%2Fs1, 159.233001708984, 2.0, 8.0, 7.52898740768433, , 6.0, 3.0, 48.0, 0.0, 22.0, 0.0, -2.74390006065369, 15.0, 3.76999998092651, 94.0, 1.87999999523163 -InChI%3D1S%2FC24H31N3O2S%2Fc1-2-22%2829%2919-8-9-24-21%2818-19%2927%2820-6-3-4-7-23%2820%2930-24%2911-5-10-25-12-14-26%2815-13-25%2916-17-28%2Fh3-4%2C6-9%2C18%2C28H%2C2%2C5%2C10-17H2%2C1H3, 75.4552001953125, 0.0, 3.0, 0.0412090010941029, , 15.0, 1.0, 33.0, 12.0, 4.0, 12.0, -0.202999994158745, 8.0, 3.44000005722046, 61.0, 3.04999995231628 -InChI%3D1S%2FC11H12Cl2N2O%2Fc1-7%2811-14-5-6-15-11%2916-10-8%2812%293-2-4-9%2810%2913%2Fh2-4%2C7H%2C5-6H2%2C1H3%2C%28H%2C14%2C15%29, 40.007999420166, 0.0, 2.0, 0.303711205720901, , 7.0, 1.0, 17.0, 6.0, 3.0, 6.0, 0.551100015640259, 3.0, 2.11999988555908, 28.0, 2.50200009346008 -InChI%3D1S%2FC10H24N2O2%2Fc1-3-9%287-13%2911-5-6-12-10%284-2%298-14%2Fh9-14H%2C3-8H2%2C1-2H3%2Ft9-%2C10-%2Fm0%2Fs1, 54.9944000244141, 0.0, 4.0, 5.24043655395508, , 0.0, 4.0, 13.0, 0.0, 14.0, 0.0, -2.28920006752014, 9.0, 2.11999988555908, 38.0, -0.34400001168251 -InChI%3D1S%2FC12H18O2%2Fc1-2-3-4-5-6-10-7-8-11%2813%299-12%2810%2914%2Fh7-9%2C13-14H%2C2-6H2%2C1H3, 27.5396995544434, 0.0, 6.0, 3.83728909492493, , 8.0, 2.0, 14.0, 6.0, 6.0, 6.0, -1.958899974823, 5.0, 2.55999994277954, 32.0, 3.82699990272522 -InChI%3D1S%2FC11H12N2O2S%2Fc1-7%2813%2815%2911%2812%2914%2910-6-8-4-2-3-5-9%288%2916-10%2Fh2-7%2C15H%2C1H3%2C%28H2%2C12%2C14%29, 30.6322002410889, 0.0, 0.0, 0.00321488990448415, , 9.0, 3.0, 17.0, 10.0, 7.0, 9.0, 0.0566999986767769, 3.0, 2.11999988555908, 28.0, 2.60199999809265 -InChI%3D1S%2FC8H10N6%2Fc9-11-7-5-3-1-2-4-6%285%298%2812-10%2914-13-7%2Fh1-4H%2C9-10H2%2C%28H%2C11%2C13%29%28H%2C12%2C14%29, 27.9654006958008, 0.0, 0.0, 4.59759378433228, , 14.0, 4.0, 15.0, 6.0, 2.0, 6.0, -2.14420008659363, 0.0, 1.67999994754791, 24.0, 1.20000004768372 -InChI%3D1S%2FC42H69NO15%2Fc1-23%282%2919-32%2847%2956-40-27%286%2953-34%2822-42%2840%2C8%2950%2957-37-26%285%2954-41%2836%2849%2935%2837%2943%289%2910%2958-38-29%2817-18-44%2920-24%283%2930%2846%2916-14-12-13-15-25%284%2952-33%2848%2921-31%2839%2838%2951-11%2955-28%287%2945%2Fh12-14%2C16%2C18%2C23-27%2C29-31%2C34-41%2C46%2C49-50H%2C15%2C17%2C19-22H2%2C1-11H3%2Fb13-12-%2C16-14-%2Ft24-%2C25-%2C26-%2C27%2B%2C29%3F%2C30%2B%2C31-%2C34%2B%2C35-%2C36-%2C37-%2C38%2B%2C39%3F%2C40-%2C41%3F%2C42-%2Fm1%2Fs1, 207.953796386719, 2.0, 4.0, 0.637442588806152, , 4.0, 3.0, 60.0, 0.0, 7.0, 0.0, -0.798399984836578, 14.0, 4.32000017166138, 127.0, 2.95099997520447 -InChI%3D1S%2FC5H5N5%2Fc6-4-3-5%289-1-7-3%2910-2-8-4%2Fh1-2H%2C%28H3%2C6%2C7%2C8%2C9%2C10%29, 4.22209978103638, 0.0, 0.0, 0.562350034713745, , 9.0, 3.0, 11.0, 10.0, 0.0, 6.0, -0.749899983406067, 0.0, 1.46000003814697, 14.0, -0.551999986171722 -InChI%3D1S%2FC40H52O2%2Fc1-29%2817-13-19-31%283%2921-23-35-33%285%2937%2841%2925-27-39%2835%2C7%298%2915-11-12-16-30%282%2918-14-20-32%284%2922-24-36-34%286%2938%2842%2926-28-40%2836%2C9%2910%2Fh11-24H%2C25-28H2%2C1-10H3, 193.526992797852, 1.0, 18.0, 79.7127532958984, , 26.0, 0.0, 43.0, 0.0, 22.0, 0.0, 8.92819976806641, 10.0, 5.6399998664856, 94.0, 10.7880001068115 -InChI%3D1S%2FC11H17N%2Fc1-11%282%2C12-3%299-10-7-5-4-6-8-10%2Fh4-8%2C12H%2C9H2%2C1-3H3, 27.5193004608154, 0.0, 3.0, 0.356647849082947, , 6.0, 1.0, 12.0, 6.0, 6.0, 6.0, 0.597199976444244, 3.0, 2.55999994277954, 29.0, 4.38899993896484 -InChI%3D1S%2FC15H11I4NO4%2Fc16-8-4-7%285-9%2817%2913%288%2921%2924-14-10%2818%291-6%282-11%2814%2919%293-12%2820%2915%2822%2923%2Fh1-2%2C4-5%2C12%2C21H%2C3%2C20H2%2C%28H%2C22%2C23%29%2Ft12-%2Fm0%2Fs1, 79.5980987548828, 0.0, 3.0, 15.853138923645, , 14.0, 3.0, 25.0, 12.0, 6.0, 12.0, 3.98160004615784, 5.0, 2.11999988555908, 35.0, 2.84699988365173 -InChI%3D1S%2FC19H29IO2%2Fc1-3-22-19%2821%2915-9-7-5-4-6-8-12-16%282%2917-13-10-11-14-18%2817%2920%2Fh10-11%2C13-14%2C16H%2C3-9%2C12%2C15H2%2C1-2H3, 65.2342987060547, 2.0, 11.0, 0.142506256699562, , 6.0, 0.0, 22.0, 6.0, 15.0, 6.0, 0.377499997615814, 12.0, 3.22000002861023, 51.0, 8.2519998550415 -InChI%3D1S%2FC27H20N4O9S2.2Na%2Fc32-14-15-13-22%2830-28-20-9-11-23%2841%2835%2C36%2937%2918-7-3-1-5-16%2818%2920%2927%2834%2925%2826%2815%2933%2931-29-21-10-12-24%2842%2838%2C39%2940%2919-8-4-2-6-17%2819%2921%3B%3B%2Fh1-13%2C32-34H%2C14H2%2C%28H%2C35%2C36%2C37%29%28H%2C38%2C39%2C40%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb30-28%2B%2C31-29%2B%3B%3B, , 2.0, 0.0, , , 40.0, 3.0, 46.0, 28.0, 3.0, 26.0, , 7.0, 2.55999994277954, 62.0, 5.38899993896484 -InChI%3D1S%2FC19H21ClN4O5%2Fc1-19%282%2C29-13-7-5-12%2820%296-8-13%2917%2826%2928-10-9-24-11-21-15-14%2824%2916%2825%2923%284%2918%2827%2922%2815%293%2Fh5-8%2C11H%2C9-10H2%2C1-4H3, 65.8943023681641, 0.0, 3.0, 0.339888989925385, , 7.0, 1.0, 31.0, 11.0, 9.0, 6.0, 0.583000004291534, 7.0, 2.45000004768372, 50.0, 1.95200002193451 -InChI%3D1S%2FC11H17NO3%2Fc1-7%2812%2911%2813%299-6-8%2814-2%294-5-10%289%2915-3%2Fh4-7%2C11%2C13H%2C12H2%2C1-3H3, 34.1128005981445, 0.0, 3.0, 1.85858690738678, , 8.0, 2.0, 15.0, 6.0, 5.0, 6.0, -1.36329996585846, 4.0, 2.23000001907349, 32.0, 0.609000027179718 -InChI%3D1S%2FC18H19N3O%2Fc1-12-19-9-10-21%2812%2911-13-7-8-16-17%2818%2813%2922%2914-5-3-4-6-15%2814%2920%2816%292%2Fh3-6%2C9-10%2C13H%2C7-8%2C11H2%2C1-2H3, 39.9748001098633, 0.0, 0.0, 0.0866124927997589, , 11.0, 1.0, 25.0, 15.0, 0.0, 9.0, 0.294299989938736, 2.0, 3.0, 41.0, 2.92300009727478 -InChI%3D1S%2FC23H24N2O4S%2Fc1-2-3-6-21-24-14-19%2812-18%2823%2828%2929%2913-20-5-4-11-30-20%2925%2821%2915-16-7-9-17%2810-8-16%2922%2826%2927%2Fh4-5%2C7-12%2C14H%2C2-3%2C6%2C13%2C15H2%2C1H3%2C%28H%2C26%2C27%29%28H%2C28%2C29%29, 58.3288993835449, 1.0, 4.0, 0.00697225006297231, , 10.0, 3.0, 32.0, 16.0, 6.0, 16.0, -0.0834999978542328, 10.0, 3.22000002861023, 54.0, 5.50899982452393 -InChI%3D1S%2FC19H23N3O4S%2Fc1-18%282%2913%2817%2825%2926%2921-15%2824%2912%2816%2821%2927-18%2922-14%2823%2911%2820-19%2822%2C3%294%2910-8-6-5-7-9-10%2Fh5-9%2C11-13%2C16%2C20H%2C1-4H3%2C%28H%2C25%2C26%29%2Ft11%3F%2C12-%2C13%2B%2C16-%2Fm1%2Fs1, 74.2077026367188, 0.0, 0.0, 0.924674570560455, , 6.0, 2.0, 30.0, 6.0, 2.0, 6.0, -0.961600005626678, 3.0, 2.67000007629395, 50.0, 3.20600008964539 -InChI%3D1S%2FC16H19BrN2%2Fc1-19%282%2912-10-15%2816-5-3-4-11-18-16%2913-6-8-14%2817%299-7-13%2Fh3-9%2C11%2C15H%2C10%2C12H2%2C1-2H3%2Ft15-%2Fm0%2Fs1, 34.0872001647949, 0.0, 3.0, 0.633456826210022, , 6.0, 0.0, 20.0, 12.0, 6.0, 12.0, 0.795899987220764, 5.0, 2.89000010490417, 38.0, 4.62599992752075 -InChI%3D1S%2FC21H18ClNO6%2Fc1-12-16%2810-20%2826%2929-11-19%2824%2925%2917-9-15%2828-2%297-8-18%2817%2923%2812%2921%2827%2913-3-5-14%2822%296-4-13%2Fh3-9H%2C10-11H2%2C1-2H3%2C%28H%2C24%2C25%29, 48.7276000976562, 0.0, 2.0, 4.8999999080479e-07, , 18.0, 1.0, 31.0, 16.0, 8.0, 15.0, -0.000699999975040555, 8.0, 2.89000010490417, 47.0, 3.46099996566772 -InChI%3D1S%2FC17H20N2O6S%2Fc1-17%282%2912%2816%2822%2923%2919-14%2821%2911%2815%2819%2926-17%2918-13%2820%2910-8%2824-3%296-5-7-9%2810%2925-4%2Fh5-7%2C11-12%2C15H%2C1-4H3%2C%28H%2C18%2C20%29%28H%2C22%2C23%29%2Ft11%3F%2C12-%2C15%2B%2Fm0%2Fs1, 69.1533966064453, 0.0, 0.0, 0.00326040992513299, , 11.0, 2.0, 28.0, 6.0, 3.0, 6.0, -0.0571000017225742, 5.0, 2.33999991416931, 46.0, 0.939000010490417 -InChI%3D1S%2FC30H30O8%2Fc1-11%282%2919-15-7-13%285%2921%2827%2835%2923%2815%2917%289-31%2925%2833%2929%2819%2937%2922-14%286%298-16-20%2812%283%294%2930%2838%2926%2834%2918%2810-32%2924%2816%2928%2822%2936%2Fh7-12%2C33-38H%2C1-6H3, 67.5151977539062, 2.0, 0.0, 0.513802230358124, , 30.0, 6.0, 41.0, 22.0, 2.0, 20.0, -0.716799974441528, 5.0, 3.88000011444092, 68.0, 5.51000022888184 -InChI%3D1S%2FC21H32O3%2Fc1-12%2822%2916-6-7-17-15-5-4-13-10-14%2823%298-9-20%2813%2C2%2919%2815%2918%2824%2911-21%2816%2C17%293%2Fh13-17%2C19%2C23H%2C4-11H2%2C1-3H3%2Ft13-%2C14%2B%2C15%3F%2C16%2B%2C17-%2C19%2B%2C20%3F%2C21%3F%2Fm0%2Fs1, 89.3310012817383, 0.0, 0.0, 0.110689289867878, , 1.0, 1.0, 27.0, 0.0, 2.0, 0.0, -0.33270001411438, 1.0, 3.44000005722046, 56.0, 3.59999990463257 -InChI%3D1S%2FC3H7NO2S%2Fc4-2%281-7%293%285%296%2Fh2%2C7H%2C1%2C4H2%2C%28H%2C5%2C6%29%2Ft2-%2Fm0%2Fs1, 28.1679992675781, 0.0, 3.0, 0.389625638723373, , 3.0, 2.0, 6.0, 0.0, 7.0, 0.0, -0.624199986457825, 2.0, 1.35000002384186, 14.0, -2.57500004768372 -InChI%3D1S%2FC13H13N5O5S2%2Fc1-23-17-7%285-4-25-13%2814%2915-5%299%2819%2916-8-10%2820%2918-6%2812%2821%2922%292-3-24-11%288%2918%2Fh2%2C4%2C8%2C11H%2C3H2%2C1H3%2C%28H2%2C14%2C15%29%28H%2C16%2C19%29%28H%2C21%2C22%29%2Fb17-7%2B%2Ft8-%2C11-%2Fm1%2Fs1, 90.2366027832031, 0.0, 2.0, 0.000806559983175248, , 8.0, 4.0, 27.0, 0.0, 7.0, 0.0, -0.0284000001847744, 5.0, 1.57000005245209, 40.0, 0.508000016212463 -InChI%3D1S%2FC6H9NO6%2Fc8-3-1-11-6-4%2813-7%289%2910%292-12-5%283%296%2Fh3-6%2C8H%2C1-2H2%2Ft3-%2C4%3F%2C5%3F%2C6%2B%2Fm0%2Fs1, 33.0547981262207, 0.0, 0.0, 0.923713207244873, , 4.0, 1.0, 14.0, 0.0, 4.0, 0.0, -0.961099982261658, 2.0, 1.35000002384186, 22.0, -0.907999992370605 -InChI%3D1S%2FC20H24O2%2Fc1-3-20%2822%2911-9-18-17-6-4-13-12-14%2821%295-7-15%2813%2916%2817%298-10-19%2818%2C20%292%2Fh1%2C5%2C7%2C12%2C16-18%2C21-22H%2C4%2C6%2C8-11H2%2C2H3%2Ft16-%2C17%3F%2C18%3F%2C19%2B%2C20%2B%2Fm1%2Fs1, 60.8055992126465, 0.0, 2.0, 0.364936798810959, , 7.0, 2.0, 25.0, 6.0, 2.0, 6.0, 0.604099988937378, 0.0, 3.44000005722046, 46.0, 4.66699981689453 -InChI%3D1S%2FC25H29I2NO3%2Fc1-4-7-11-22-23%2818-10-8-9-12-21%2818%2931-22%2924%2829%2917-15-19%2826%2925%2820%2827%2916-17%2930-14-13-28%285-2%296-3%2Fh8-10%2C12%2C15-16H%2C4-7%2C11%2C13-14H2%2C1-3H3, 84.9536972045898, 2.0, 4.0, 7.51253271102905, , 9.0, 0.0, 33.0, 16.0, 8.0, 12.0, 2.74090003967285, 11.0, 3.54999995231628, 60.0, 7.77699995040894 -InChI%3D1S%2FC25H27N9O8S2%2Fc1-3-32-8-9-33%2821%2839%2920%2832%2938%2924%2842%2927-15%2812-4-6-14%2835%297-5-12%2918%2836%2926-16-19%2837%2934-17%2823%2840%2941%2913%2810-43-22%2816%2934%2911-44-25-28-29-30-31%2825%292%2Fh4-7%2C15-16%2C22%2C35H%2C3%2C8-11H2%2C1-2H3%2C%28H%2C26%2C36%29%28H%2C27%2C42%29%28H%2C40%2C41%29%2Ft15-%2C16%3F%2C22-%2Fm1%2Fs1, 120.33260345459, 1.0, 2.0, 0.828281998634338, , 9.0, 4.0, 48.0, 11.0, 7.0, 11.0, -0.910099983215332, 10.0, 2.11999988555908, 71.0, -0.647000014781952 -InChI%3D1S%2FC16H14O3%2Fc17-15%2810-11-16%2818%2919%2914-8-6-13%287-9-14%2912-4-2-1-3-5-12%2Fh1-9H%2C10-11H2%2C%28H%2C18%2C19%29, 21.6637001037598, 1.0, 4.0, 0.188355997204781, , 14.0, 1.0, 20.0, 12.0, 7.0, 12.0, -0.433999985456467, 5.0, 2.89000010490417, 33.0, 5.5310001373291 -InChI%3D1S%2FC9H13N3O%2Fc1-7%282%2911-12-9%2813%298-3-5-10-6-4-8%2Fh3-7%2C11H%2C1-2H3%2C%28H%2C12%2C13%29, 25.9368000030518, 0.0, 3.0, 1.00600898265839, , 10.0, 2.0, 13.0, 6.0, 7.0, 6.0, -1.00300002098083, 4.0, 2.00999999046326, 26.0, 1.68599998950958 -InChI%3D1S%2FC23H29ClO4%2Fc1-13%2825%2923%2828-14%282%2926%2910-7-18-16-12-20%2824%2919-11-15%2827%295-8-21%2819%2C3%2917%2816%296-9-22%2818%2C23%294%2Fh11-12%2C16-18H%2C5-10H2%2C1-4H3%2Ft16%3F%2C17-%2C18-%2C21%2B%2C22-%2C23-%2Fm0%2Fs1, 108.792999267578, 0.0, 0.0, 2.20849323272705, , 6.0, 0.0, 31.0, 0.0, 4.0, 0.0, 1.4860999584198, 3.0, 3.44000005722046, 57.0, 3.39000010490417 -InChI%3D1S%2FC20H28O2%2Fc1-15%288-6-9-16%282%2914-19%2821%2922%2911-12-18-17%283%2910-7-13-20%2818%2C4%295%2Fh6%2C8-9%2C11-12%2C14H%2C7%2C10%2C13H2%2C1-5H3%2C%28H%2C21%2C22%29, 96.6302032470703, 1.0, 9.0, 15.109546661377, , 13.0, 1.0, 22.0, 0.0, 13.0, 0.0, 3.88709998130798, 5.0, 3.44000005722046, 50.0, 6.25400018692017 -InChI%3D1S%2FC10H14N5O4%2Fc1-5-3-15%2810%2818%2912-9%285%2917%298-2-6%2813-14-11%297%284-16%2919-8%2Fh3%2C6-8%2C11%2C16H%2C2%2C4H2%2C1H3%2C%28H%2C12%2C17%2C18%29%2Ft6-%2C7%3F%2C8%2B%2Fm0%2Fs1, 55.6195983886719, 0.0, 0.0, 18.0523014068604, , 4.0, 4.0, 20.0, 0.0, 3.0, 0.0, -4.2487998008728, 3.0, 1.57000005245209, 36.0, -0.907000005245209 -InChI%3D1S%2FC17H21NO4%2Fc1-18-13-7-11%288-14%2818%2916-15%2813%2922-16%2921-17%2820%2912%289-19%2910-5-3-2-4-6-10%2Fh2-6%2C11-16%2C19H%2C7-9H2%2C1H3%2Ft11-%2C12-%2C13-%2C14%2B%2C15%3F%2C16%2B%2Fm1%2Fs1, 50.2165985107422, 0.0, 3.0, 2.4059112071991, , 6.0, 1.0, 25.0, 6.0, 6.0, 6.0, -1.55110001564026, 5.0, 2.77999997138977, 43.0, 2.49600005149841 -InChI%3D1S%2FC10H12ClNO4%2Fc11-7-1-3-9%284-2-7%2915-5-8%2813%296-16-10%2812%2914%2Fh1-4%2C8%2C13H%2C5-6H2%2C%28H2%2C12%2C14%29, 32.4492988586426, 0.0, 3.0, 0.327069610357285, , 7.0, 3.0, 16.0, 6.0, 9.0, 6.0, 0.571900010108948, 6.0, 1.89999997615814, 28.0, 2.06299996376038 -InChI%3D1S%2FC11H16N2O3%2Fc1-4-5-11%286-7%282%293%298%2814%2912-10%2816%2913-9%2811%2915%2Fh4%2C7H%2C1%2C5-6H2%2C2-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29, 58.0401000976562, 0.0, 3.0, 0.242359295487404, , 8.0, 2.0, 16.0, 0.0, 4.0, 0.0, 0.492300003767014, 4.0, 2.11999988555908, 32.0, 2.70300006866455 -InChI%3D1S%2FC17H22NO%2Fc1-18%282%2C15-16-9-5-3-6-10-16%2913-14-19-17-11-7-4-8-12-17%2Fh3-12H%2C13-15H2%2C1-2H3%2Fq%2B1, 27.1490993499756, 1.0, 2.0, 1.84579396247864, , 7.0, 0.0, 20.0, 12.0, 7.0, 12.0, -1.35860002040863, 6.0, 3.10999989509583, 41.0, 5.13299989700317 -InChI%3D1S%2FC29H32O13%2Fc1-11-36-9-20-27%2840-11%2924%2831%2925%2832%2929%2841-20%2942-26-14-7-17-16%2838-10-39-17%296-13%2814%2921%2822-15%2826%298-37-28%2822%2933%2912-4-18%2834-2%2923%2830%2919%285-12%2935-3%2Fh4-7%2C11%2C15%2C20-22%2C24-27%2C29-32H%2C8-10H2%2C1-3H3%2Ft11-%2C15%3F%2C20%3F%2C21%3F%2C22%2B%2C24-%2C25-%2C26%3F%2C27-%2C29%3F%2Fm1%2Fs1, 90.7614974975586, 0.0, 0.0, 6.60644197463989, , 9.0, 3.0, 48.0, 12.0, 2.0, 12.0, -2.57030010223389, 5.0, 3.22000002861023, 74.0, 0.199000000953674 -InChI%3D1S%2FC14H24N2O7%2Fc1-5-4-6%2817%2914%2820%2913%2821-5%2922-12-10%2819%297%2815-2%299%2818%298%2816-3%2911%2812%2923-14%2Fh5%2C7-13%2C15-16%2C18-20H%2C4H2%2C1-3H3%2Ft5-%2C7%3F%2C8%2B%2C9%2B%2C10%2B%2C11-%2C12%3F%2C13%2B%2C14%2B%2Fm1%2Fs1, 75.6017990112305, 0.0, 0.0, 8.16644954681396, , 1.0, 5.0, 25.0, 0.0, 2.0, 0.0, -2.85770010948181, 2.0, 2.00999999046326, 47.0, -1.91299998760223 -InChI%3D1S%2FC10H22N4%2Fc11-10%2812%2913-6-9-14-7-4-2-1-3-5-8-14%2Fh1-9H2%2C%28H4%2C11%2C12%2C13%29, 47.5045013427734, 0.0, 2.0, 3.42213010787964, , 4.0, 3.0, 14.0, 0.0, 6.0, 0.0, -1.84990000724792, 4.0, 2.11999988555908, 36.0, 1.46099996566772 -InChI%3D1S%2FCHBr3%2Fc2-1%283%294%2Fh1H, 29.7896995544434, 0.0, 0.0, 4.96665811538696, , 0.0, 0.0, 3.0, 0.0, 4.0, 0.0, 2.228600025177, 0.0, 1.24000000953674, 5.0, 3.08800005912781 -InChI%3D1S%2FC12H26N4O6%2Fc13-2-5-8%2818%299%2819%296%2816%2912%2821-5%2922-11-4%2815%291-3%2814%297%2817%2910%2811%2920%2Fh3-12%2C17-20H%2C1-2%2C13-16H2%2Ft3-%2C4%3F%2C5%3F%2C6-%2C7%2B%2C8-%2C9-%2C10-%2C11%3F%2C12%3F%2Fm1%2Fs1, 71.7674026489258, 1.0, 0.0, 33.0257110595703, , 0.0, 8.0, 23.0, 0.0, 2.0, 0.0, -5.7467999458313, 3.0, 1.67999994754791, 48.0, -3.51999998092651 -InChI%3D1S%2FC18H25NO%2Fc1-19-10-9-18-8-4-3-5-15%2818%2917%2819%2911-13-6-7-14%2820-2%2912-16%2813%2918%2Fh6-7%2C12%2C15%2C17H%2C3-5%2C8-11H2%2C1-2H3%2Ft15-%2C17%3F%2C18%3F%2Fm0%2Fs1, 53.9015007019043, 0.0, 0.0, 0.349281013011932, , 7.0, 0.0, 23.0, 6.0, 2.0, 6.0, -0.591000020503998, 1.0, 3.22000002861023, 45.0, 4.20699977874756 -InChI%3D1S%2FC15H21N3O%2Fc1-11%285-3-7-16%2918-14-10-13%2819-2%299-12-6-4-8-17-15%2812%2914%2Fh4%2C6%2C8-11%2C18H%2C3%2C5%2C7%2C16H2%2C1-2H3, 34.6698989868164, 0.0, 5.0, 3.18836736679077, , 12.0, 2.0, 20.0, 11.0, 7.0, 10.0, -1.78559994697571, 6.0, 2.67000007629395, 40.0, 2.13299989700317 -InChI%3D1S%2FC19H17ClFN3O5S%2Fc1-7-10%2812%2823-29-7%2911-8%2820%295-4-6-9%2811%2921%2915%2825%2922-13-16%2826%2924-14%2818%2827%2928%2919%282%2C3%2930-17%2813%2924%2Fh4-6%2C13-14%2C17H%2C1-3H3%2C%28H%2C22%2C25%29%28H%2C27%2C28%29%2Ft13%3F%2C14-%2C17%2B%2Fm0%2Fs1, 68.3615036010742, 0.0, 0.0, 2.42082476615906, , 6.0, 3.0, 33.0, 11.0, 3.0, 6.0, 1.55589997768402, 4.0, 2.33999991416931, 47.0, 2.50500011444092 -InChI%3D1S%2FC18H21NO3%2Fc1-19-8-7-18-11-4-5-13%2820%2917%2818%2922-16-14%2821-2%296-3-10%2815%2816%2918%299-12%2811%2919%2Fh3%2C6%2C11-12%2C17H%2C4-5%2C7-9H2%2C1-2H3%2Ft11-%2C12%3F%2C17-%2C18%3F%2Fm0%2Fs1, 58.0499992370605, 0.0, 0.0, 0.381429761648178, , 8.0, 0.0, 26.0, 6.0, 2.0, 6.0, -0.61760002374649, 1.0, 3.0, 43.0, 1.42599999904633 -InChI%3D1S%2FC9H11FN2O5%2Fc10-4-2-12%289%2816%2911-8%284%2915%297-1-5%2814%296%283-13%2917-7%2Fh2%2C5-7%2C13-14H%2C1%2C3H2%2C%28H%2C11%2C15%2C16%29%2Ft5-%2C6%3F%2C7%2B%2Fm0%2Fs1, 49.0126991271973, 0.0, 0.0, 3.36575722694397, , 4.0, 4.0, 18.0, 0.0, 2.0, 0.0, -1.83459997177124, 2.0, 1.57000005245209, 32.0, -1.53400003910065 -InChI%3D1S%2FC23H46N6O13%2Fc24-2-7-13%2832%2915%2834%2910%2828%2921%2837-7%2940-18-6%2827%291-5%2826%2912%2831%2920%2818%2942-23-17%2836%2919%289%284-30%2939-23%2941-22-11%2829%2916%2835%2914%2833%298%283-25%2938-22%2Fh5-23%2C30-36H%2C1-4%2C24-29H2%2Ft5-%2C6%2B%2C7-%2C8%2B%2C9-%2C10-%2C11%3F%2C12%2B%2C13-%2C14-%2C15-%2C16-%2C17-%2C18-%2C19%3F%2C20%3F%2C21%3F%2C22-%2C23%2B%2Fm1%2Fs1, 133.946502685547, 2.0, 0.0, 86.6593399047852, , 0.0, 13.0, 45.0, 0.0, 2.0, 0.0, -9.30910015106201, 9.0, 1.89999997615814, 88.0, -6.91400003433228 -InChI%3D1S%2FC49H76O21%2Fc1-20-43%2868-37-15-30%2853%2944%2821%282%2963-37%2969-38-16-32%2865-23%284%2951%2945%2822%283%2964-38%2970-46-42%2859%2941%2858%2940%2857%2933%2818-50%2967-46%2929%2852%2914-36%2862-20%2966-26-9-10-47%285%2925%2812-26%297-8-27-28%2847%2913-34%2855%2948%286%2939%2824-11-35%2856%2961-19-24%2931%2854%2917-49%2827%2C48%2960%2Fh11%2C20-22%2C25-34%2C36-46%2C50%2C52-55%2C57-60H%2C7-10%2C12-19H2%2C1-6H3%2Ft20-%2C21-%2C22-%2C25%3F%2C26%3F%2C27-%2C28%2B%2C29%2B%2C30%2B%2C31%3F%2C32%2B%2C33%3F%2C34%3F%2C36%2B%2C37%2B%2C38%2B%2C39%2B%2C40-%2C41%2B%2C42-%2C43%3F%2C44%3F%2C45%3F%2C46%2B%2C47%3F%2C48%3F%2C49%3F%2Fm1%2Fs1, 227.539505004883, 3.0, 0.0, 33.7828330993652, , 5.0, 9.0, 78.0, 0.0, 4.0, 0.0, -5.81230020523071, 12.0, 4.53999996185303, 146.0, 0.347000002861023 -InChI%3D1S%2FC49H76O19%2Fc1-22-43%2866-38-18-33%2853%2944%2823%282%2961-38%2967-39-19-34%2863-25%284%2951%2945%2824%283%2962-39%2968-46-42%2857%2941%2856%2940%2855%2935%2820-50%2965-46%2932%2852%2917-37%2860-22%2964-28-9-12-47%285%2927%2816-28%297-8-31-30%2847%2910-13-48%286%2929%2811-14-49%2831%2C48%2958%2926-15-36%2854%2959-21-26%2Fh15%2C22-24%2C27-35%2C37-46%2C50%2C52-53%2C55-58H%2C7-14%2C16-21H2%2C1-6H3%2Ft22-%2C23-%2C24-%2C27-%2C28%3F%2C29-%2C30%3F%2C31-%2C32%2B%2C33%2B%2C34%2B%2C35%3F%2C37%2B%2C38%2B%2C39%2B%2C40-%2C41%2B%2C42-%2C43%3F%2C44%3F%2C45%3F%2C46%2B%2C47%3F%2C48-%2C49%3F%2Fm1%2Fs1, 224.931701660156, 3.0, 0.0, 20.0068340301514, , 5.0, 7.0, 76.0, 0.0, 4.0, 0.0, -4.47289991378784, 12.0, 4.76000022888184, 144.0, 2.61800003051758 -InChI%3D1S%2FC6H12N4O9%2Fc11-8%2812%2917-4-1-7%282-5-18-9%2813%2914%293-6-19-10%2815%2916%2Fh1-6H2, 43.8791999816895, 1.0, 2.0, 0.00161604001186788, , 4.0, 0.0, 18.0, 0.0, 19.0, 0.0, 0.0401999987661839, 12.0, 0.689999997615814, 31.0, 0.791999995708466 -InChI%3D1S%2FC24H26FNO4%2Fc1-15%282%2926-21-6-4-3-5-20%2821%2924%2816-7-9-17%2825%2910-8-16%2922%2826%2912-11-18%2827%2913-19%2828%2914-23%2829%2930%2Fh3-12%2C15%2C18-19%2C27-28H%2C13-14H2%2C1-2H3%2C%28H%2C29%2C30%29%2Fb12-11%2B%2Ft18-%2C19-%2Fm1%2Fs1, 55.8894996643066, 0.0, 7.0, 0.251502245664597, , 17.0, 3.0, 32.0, 16.0, 11.0, 15.0, -0.501500010490417, 8.0, 3.44000005722046, 56.0, 4.95800018310547 -InChI%3D1S%2FC12H14N4O2S%2Fc1-8-7-9%282%2915-12%2814-8%2916-19%2817%2C18%2911-5-3-10%2813%294-6-11%2Fh3-7H%2C13H2%2C1-2H3%2C%28H%2C14%2C15%2C16%29, 26.8286991119385, 0.0, 0.0, 0.651894748210907, , 17.0, 2.0, 20.0, 12.0, 4.0, 12.0, -0.807399988174438, 3.0, 2.00999999046326, 33.0, 1.73399996757507 -InChI%3D1S%2FC20H33N3O4%2Fc1-7-23%288-2%2919%2826%2922-15-9-10-18%2817%2811-15%2914%283%2924%2927-13-16%2825%2912-21-20%284%2C5%296%2Fh9-11%2C16%2C21%2C25H%2C7-8%2C12-13H2%2C1-6H3%2C%28H%2C22%2C26%29, 81.535400390625, 1.0, 3.0, 0.121521957218647, , 13.0, 3.0, 27.0, 6.0, 10.0, 6.0, 0.348600000143051, 11.0, 2.89000010490417, 60.0, 3.24000000953674 -InChI%3D1S%2FC21H26NO3.BrH%2Fc1-22%282%2915-9-14-19%2816-22%2925-20%2823%2921%2824%2C17-10-5-3-6-11-17%2918-12-7-4-8-13-18%3B%2Fh3-8%2C10-13%2C19%2C24H%2C9%2C14-16H2%2C1-2H3%3B1H%2Fq%2B1%3B%2Fp-1, , 1.0, 2.0, , , 6.0, 1.0, 27.0, 12.0, 5.0, 12.0, , 5.0, 3.22000002861023, 52.0, 5.86499977111816 -InChI%3D1S%2FC19H18ClFN2O3%2Fc20-13-5-6-17-15%2811-13%2919%2814-3-1-2-4-16%2814%2921%2922%288-10-26-19%2912-18%2825%2923%2817%297-9-24%2Fh1-6%2C11%2C24H%2C7-10%2C12H2, 46.7226982116699, 0.0, 2.0, 0.0217267591506243, , 9.0, 1.0, 29.0, 12.0, 3.0, 12.0, -0.147400006651878, 3.0, 2.77999997138977, 44.0, 2.78800010681152 -InChI%3D1S%2FC21H32N6O3%2Fc1-4-19%2828%2927%2818-9-7-6-8-10-18%2921%2817-30-3%2911-13-24%2814-12-21%2915-16-26-20%2829%2925%285-2%2922-23-26%2Fh6-10H%2C4-5%2C11-17H2%2C1-3H3, 86.3235015869141, 0.0, 3.0, 6.28003597259521, , 9.0, 2.0, 32.0, 6.0, 5.0, 6.0, -2.50600004196167, 10.0, 2.77999997138977, 64.0, 3.53099989891052 -InChI%3D1S%2FC10H12N2%2Fc1-2-4-9%285-3-1%298-10-11-6-7-12-10%2Fh1-5H%2C6-8H2%2C%28H%2C11%2C12%29, 22.4853992462158, 0.0, 0.0, 0.413191825151443, , 6.0, 1.0, 13.0, 6.0, 0.0, 6.0, -0.642799973487854, 2.0, 2.33999991416931, 24.0, 3.13000011444092 -InChI%3D1S%2FC15H22O3%2Fc1-11-6-7-12%282%2913%2810-11%2918-9-5-8-15%283%2C4%2914%2816%2917%2Fh6-7%2C10H%2C5%2C8-9H2%2C1-4H3%2C%28H%2C16%2C17%29, 45.9565010070801, 0.0, 5.0, 2.52905416488647, , 7.0, 1.0, 18.0, 6.0, 10.0, 6.0, 1.59029996395111, 6.0, 2.77999997138977, 40.0, 3.74799990653992 -InChI%3D1S%2FC22H26F3N3OS%2Fc23-22%2824%2C25%2917-6-7-21-19%2816-17%2928%2818-4-1-2-5-20%2818%2930-21%299-3-8-26-10-12-27%2813-11-26%2914-15-29%2Fh1-2%2C4-7%2C16%2C29H%2C3%2C8-15H2, 66.0959014892578, 0.0, 3.0, 1.15089988708496, , 13.0, 1.0, 33.0, 12.0, 3.0, 12.0, 1.07280004024506, 7.0, 3.0, 56.0, 4.40899991989136 -InChI%3D1S%2FC18H31NO4%2Fc1-14%282%2919-11-17%2820%2913-23-18-7-5-16%286-8-18%2912-21-9-10-22-15%283%294%2Fh5-8%2C14-15%2C17%2C19-20H%2C9-13H2%2C1-4H3, 68.071403503418, 1.0, 3.0, 1.51536095142365, , 7.0, 2.0, 23.0, 6.0, 9.0, 6.0, -1.23099994659424, 12.0, 2.89000010490417, 54.0, 2.36899995803833 -InChI%3D1S%2FC22H32N2O5%2Fc1-6-23%287-2%2922%2826%2917-13-24-9-8-15-10-20%2827-4%2921%2828-5%2911-16%2815%2918%2824%2912-19%2817%2929-14%283%2925%2Fh10-11%2C17-19H%2C6-9%2C12-13H2%2C1-5H3, 83.8733978271484, 0.0, 2.0, 0.126522496342659, , 8.0, 0.0, 31.0, 6.0, 7.0, 6.0, -0.355699986219406, 8.0, 3.10999989509583, 61.0, 1.72800004482269 -InChI%3D1S%2FC19H24N2O4%2Fc1-13%289-14-3-6-16%2825-2%297-4-14%2920-11-19%2824%2915-5-8-18%2823%2917%2810-15%2921-12-22%2Fh3-8%2C10%2C12-13%2C19-20%2C23-24H%2C9%2C11H2%2C1-2H3%2C%28H%2C21%2C22%29%2Ft13-%2C19%2B%2Fm1%2Fs1, 47.8459014892578, 0.0, 3.0, 2.30675339698792, , 10.0, 4.0, 26.0, 12.0, 7.0, 12.0, -1.5188000202179, 8.0, 2.89000010490417, 49.0, 2.71000003814697 -InChI%3D1S%2FC6H10N6O%2Fc1-12%282%2911-10-6-4%285%287%2913%298-3-9-6%2Fh3H%2C1-2H3%2C%28H2%2C7%2C13%29%28H%2C8%2C9%29%2Fb11-10-, 26.0491008758545, 0.0, 0.0, 0.271128475666046, , 3.0, 3.0, 13.0, 5.0, 5.0, 0.0, -0.520699977874756, 3.0, 1.35000002384186, 22.0, -1.77999997138977 -InChI%3D1S%2FC13H20N6O4%2Fc1-7%282%298%2814%2912%2821%2923-4-3-22-6-19-5-16-9-10%2819%2917-13%2815%2918-11%289%2920%2Fh5%2C7-8H%2C3-4%2C6%2C14H2%2C1-2H3%2C%28H3%2C15%2C17%2C18%2C20%29%2Ft8-%2Fm0%2Fs1, 63.2215995788574, 0.0, 4.0, 1.78222501277924, , 4.0, 6.0, 24.0, 5.0, 12.0, 0.0, -1.33500003814697, 8.0, 1.78999996185303, 45.0, -0.170000001788139 -InChI%3D1S%2FC30H42O8%2Fc1-16-24%2832%2925%2833%2926%2834%2927%2837-16%2938-19-8-11-28%282%2918%2814-19%295-6-22-21%2828%299-12-29%283%2920%2810-13-30%2822%2C29%2935%2917-4-7-23%2831%2936-15-17%2Fh4%2C7%2C14-16%2C19-22%2C24-27%2C32-35H%2C5-6%2C8-13H2%2C1-3H3%2Ft16-%2C19-%2C20%2B%2C21%3F%2C22%2B%2C24-%2C25%2B%2C26%3F%2C27-%2C28-%2C29%2B%2C30%3F%2Fm0%2Fs1, 135.280303955078, 0.0, 0.0, 1.52399027347565, , 3.0, 4.0, 43.0, 0.0, 0.0, 0.0, -1.23450005054474, 3.0, 3.88000011444092, 84.0, 3.10500001907349 -InChI%3D1S%2FC3H9O6P%2Fc4-1-3%282-5%299-10%286%2C7%298%2Fh3-5H%2C1-2H2%2C%28H2%2C6%2C7%2C8%29, 30.8153991699219, 0.0, 3.0, 1.80606722831726, , 5.0, 4.0, 9.0, 0.0, 10.0, 0.0, -1.34389996528625, 4.0, 1.01999998092651, 19.0, -3.10899996757507 -InChI%3D1S%2FC18H21NO%2Fc20-18%2815-9-3-1-4-10-15%2C16-11-5-2-6-12-16%2917-13-7-8-14-19-17%2Fh1-6%2C9-12%2C17%2C19-20H%2C7-8%2C13-14H2, 25.0125007629395, 1.0, 0.0, 4.27827835083008, , 6.0, 2.0, 22.0, 12.0, 2.0, 12.0, -2.06839990615845, 3.0, 3.22000002861023, 41.0, 5.86299991607666 -InChI%3D1S%2FC18H26O2%2Fc1-18-9-8-14-13-5-3-12%2819%2910-11%2813%292-4-15%2814%2916%2818%296-7-17%2818%2920%2Fh10%2C13-17%2C20H%2C2-9H2%2C1H3%2Ft13%3F%2C14-%2C15%3F%2C16%2B%2C17%2B%2C18%3F%2Fm1%2Fs1, 76.2046966552734, 0.0, 0.0, 0.0152769600972533, , 4.0, 1.0, 23.0, 0.0, 0.0, 0.0, -0.123599998652935, 0.0, 3.22000002861023, 46.0, 3.22300004959106 -InChI%3D1S%2FC11H12Cl2N2O5%2Fc12-10%2813%2911%2818%2914-8%285-16%299%2817%296-1-3-7%284-2-6%2915%2819%2920%2Fh1-4%2C8-10%2C16-17H%2C5H2%2C%28H%2C14%2C18%29%2Ft8-%2C9-%2Fm1%2Fs1, 43.3061981201172, 0.0, 3.0, 0.00203400989994407, , 9.0, 3.0, 20.0, 6.0, 11.0, 6.0, -0.045099999755621, 6.0, 1.67999994754791, 32.0, 1.66299998760223 -InChI%3D1S%2FC17H20N2O2S%2Fc1-2-21-17%2820%2915-13-8-9-19%2811-14%2813%2922-16%2815%2918%2910-12-6-4-3-5-7-12%2Fh3-7H%2C2%2C8-11%2C18H2%2C1H3, 49.7841987609863, 0.0, 2.0, 0.164754807949066, , 9.0, 1.0, 24.0, 11.0, 5.0, 11.0, 0.405900001525879, 5.0, 2.77999997138977, 42.0, 3.78600001335144 -InChI%3D1S%2FC15H11ClN2O2%2Fc16-10-6-7-12-11%288-10%2913%289-4-2-1-3-5-9%2918-15%2820%2914%2819%2917-12%2Fh1-8%2C15%2C20H%2C%28H%2C17%2C19%29, 26.4554996490479, 0.0, 0.0, 0.054943360388279, , 17.0, 2.0, 22.0, 12.0, 0.0, 12.0, 0.234400004148483, 1.0, 2.55999994277954, 31.0, 4.36499977111816 -InChI%3D1S%2FC12H18Cl2N2O%2Fc1-12%282%2C3%2916-6-10%2817%297-4-8%2813%2911%2815%299%2814%295-7%2Fh4-5%2C10%2C16-17H%2C6%2C15H2%2C1-3H3, 48.9285011291504, 0.0, 2.0, 0.727267861366272, , 7.0, 3.0, 17.0, 6.0, 8.0, 6.0, 0.852800011634827, 4.0, 2.23000001907349, 35.0, 1.88900005817413 -InChI%3D1S%2FC19H28O2%2Fc1-18-9-7-13%2820%2911-12%2818%293-4-14-15-5-6-17%2821%2919%2815%2C2%2910-8-16%2814%2918%2Fh3%2C13-16%2C20H%2C4-11H2%2C1-2H3%2Ft13-%2C14%3F%2C15-%2C16-%2C18%3F%2C19%3F%2Fm0%2Fs1, 82.4268035888672, 0.0, 0.0, 0.0306250005960464, , 2.0, 1.0, 24.0, 0.0, 0.0, 0.0, 0.174999997019768, 0.0, 3.32999992370605, 49.0, 3.03500008583069 -InChI%3D1S%2FC10H12N4O3%2Fc15-3-6-1-2-7%2817-6%2914-5-13-8-9%2814%2911-4-12-10%288%2916%2Fh4-7%2C15H%2C1-3H2%2C%28H%2C11%2C12%2C16%29%2Ft6-%2C7%2B%2Fm0%2Fs1, 26.7570991516113, 0.0, 0.0, 2.38424491882324, , 9.0, 3.0, 19.0, 10.0, 2.0, 6.0, -1.54410004615784, 2.0, 1.78999996185303, 29.0, -0.540000021457672 -InChI%3D1S%2FC12H12N2O3%2Fc1-3-14-6-9%2812%2816%2917%2910%2815%298-5-4-7%282%2913-11%288%2914%2Fh4-6H%2C3H2%2C1-2H3%2C%28H%2C16%2C17%29, 39.5200996398926, 0.0, 2.0, 0.0284596905112267, , 9.0, 1.0, 18.0, 6.0, 2.0, 6.0, 0.168699994683266, 2.0, 2.23000001907349, 31.0, 1.13199996948242 -InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2%2Ft3-%2C4%2B%2C5%2B%2C6-, 50.472599029541, 0.0, 6.0, 0.0585639998316765, , 0.0, 4.0, 11.0, 0.0, 12.0, 0.0, -0.241999998688698, 5.0, 1.46000003814697, 24.0, -0.272000014781952 -InChI%3D1S%2FC5H9NO4%2Fc6-3%285%289%2910%291-2-4%287%298%2Fh3H%2C1-2%2C6H2%2C%28H%2C7%2C8%29%28H%2C9%2C10%29%2Ft3-%2Fm0%2Fs1, 29.444299697876, 0.0, 5.0, 2.68894410133362, , 3.0, 3.0, 9.0, 0.0, 10.0, 0.0, -1.63979995250702, 4.0, 1.46000003814697, 19.0, -3.34899997711182 -InChI%3D1S%2FC20H31NO3%2Fc1-3-21%284-2%2914-15-23-16-17-24-19%2822%2920%2812-8-9-13-20%2918-10-6-5-7-11-18%2Fh5-7%2C10-11H%2C3-4%2C8-9%2C12-17H2%2C1-2H3, 67.813102722168, 2.0, 2.0, 0.0907214432954788, , 6.0, 0.0, 25.0, 6.0, 13.0, 6.0, -0.30120000243187, 11.0, 3.22000002861023, 55.0, 5.2020001411438 -InChI%3D1S%2FC8H8O3%2Fc9-7%288%2810%2911%296-4-2-1-3-5-6%2Fh1-5%2C7%2C9H%2C%28H%2C10%2C11%29, 13.1066999435425, 0.0, 2.0, 0.734791815280914, , 6.0, 2.0, 11.0, 6.0, 5.0, 6.0, -0.857200026512146, 2.0, 2.00999999046326, 19.0, 1.89400005340576 -InChI%3D1S%2FC19H20N8O5%2Fc20-15-14-16%2827-19%2821%2926-15%2923-8-11%2824-14%297-22-10-3-1-9%282-4-10%2917%2830%2925-12%2818%2831%2932%295-6-13%2828%2929%2Fh1-4%2C8%2C12%2C22H%2C5-7H2%2C%28H%2C25%2C30%29%28H%2C28%2C29%29%28H%2C31%2C32%29%28H4%2C20%2C21%2C23%2C26%2C27%29, 59.2751998901367, 2.0, 5.0, 9.1246280670166, , 10.0, 8.0, 34.0, 12.0, 12.0, 12.0, -3.02069997787476, 10.0, 2.11999988555908, 54.0, -2.15400004386902 -InChI%3D1S%2FC9H12N4O3%2Fc1-11-7-6%288%2815%2912%282%299%2811%2916%2913%283-4-14%295-10-7%2Fh5%2C14H%2C3-4H2%2C1-2H3, 41.1645011901855, 0.0, 2.0, 0.941870272159576, , 6.0, 2.0, 17.0, 5.0, 3.0, 0.0, -0.970499992370605, 2.0, 1.67999994754791, 28.0, -1.33399999141693 -InChI%3D1S%2FC13H18ClNO%2Fc1-9%2815-13%282%2C3%294%2912%2816%2910-6-5-7-11%2814%298-10%2Fh5-9%2C15H%2C1-4H3, 42.9836006164551, 0.0, 3.0, 0.975946426391602, , 8.0, 1.0, 16.0, 6.0, 9.0, 6.0, 0.987900018692017, 4.0, 2.55999994277954, 34.0, 3.50600004196167 -InChI%3D1S%2FC10H15NO2%2Fc1-2-11-7-10%2813%298-4-3-5-9%2812%296-8%2Fh3-6%2C10-13H%2C2%2C7H2%2C1H3, 26.5298004150391, 0.0, 2.0, 1.05493438243866, , 7.0, 3.0, 13.0, 6.0, 6.0, 6.0, -1.02709996700287, 4.0, 2.23000001907349, 28.0, 0.887000024318695 -InChI%3D1S%2FC17H17NO2%2Fc1-18-8-7-10-3-2-4-12-15%2810%2913%2818%299-11-5-6-14%2819%2917%2820%2916%2811%2912%2Fh2-6%2C13%2C19-20H%2C7-9H2%2C1H3, 31.1511993408203, 0.0, 0.0, 0.276570796966553, , 14.0, 2.0, 23.0, 12.0, 0.0, 12.0, -0.52590000629425, 0.0, 3.0, 37.0, 3.1489999294281 -InChI%3D1S%2FC15H17FN4O3%2Fc1-2-19-8-10%2815%2822%2923%2912%2821%299-7-11%2816%2914%2818-13%289%2919%2920-5-3-17-4-6-20%2Fh7-8%2C17H%2C2-6H2%2C1H3%2C%28H%2C22%2C23%29, 59.706901550293, 0.0, 2.0, 0.0230736099183559, , 10.0, 2.0, 25.0, 6.0, 2.0, 6.0, -0.151899993419647, 3.0, 2.23000001907349, 42.0, 0.0970000028610229 -InChI%3D1S%2FC10H16N2O3S%2Fc13-8%2814%294-2-1-3-7-9-6%285-16-7%2911-10%2815%2912-9%2Fh6-7%2C9H%2C1-5H2%2C%28H%2C13%2C14%29%28H2%2C11%2C12%2C15%29%2Ft6-%2C7-%2C9%3F%2Fm0%2Fs1, 54.086799621582, 0.0, 5.0, 0.647381186485291, , 4.0, 3.0, 17.0, 0.0, 7.0, 0.0, -0.80460000038147, 5.0, 1.89999997615814, 32.0, 1.20899999141693 -InChI%3D1S%2FC19H24N2OS%2Fc1-14%2812-20%282%293%2913-21-16-7-5-6-8-18%2816%2923-19-10-9-15%2822-4%2911-17%2819%2921%2Fh5-11%2C14H%2C12-13H2%2C1-4H3, 50.2583999633789, 0.0, 3.0, 0.858216941356659, , 14.0, 0.0, 25.0, 12.0, 7.0, 12.0, 0.926400005817413, 5.0, 3.10999989509583, 47.0, 4.21400022506714 -InChI%3D1S%2FC10H14ClN%2Fc1-10%282%2C12%297-8-3-5-9%2811%296-4-8%2Fh3-6H%2C7%2C12H2%2C1-2H3, 28.3603000640869, 0.0, 3.0, 0.827554106712341, , 6.0, 1.0, 12.0, 6.0, 5.0, 6.0, 0.909699976444244, 2.0, 2.33999991416931, 26.0, 3.03999996185303 -InChI%3D1S%2FC16H12FN3O3%2Fc1-19-14-7-6-10%2820%2822%2923%298-12%2814%2916%2818-9-15%2819%2921%2911-4-2-3-5-13%2811%2917%2Fh2-8H%2C9H2%2C1H3, 28.0615997314453, 0.0, 0.0, 0.165486246347427, , 20.0, 0.0, 25.0, 12.0, 2.0, 12.0, -0.406800001859665, 2.0, 2.45000004768372, 35.0, 3.1800000667572 -InChI%3D1S%2FC20H20N2O2%2Fc1-15%282%2913-14-18-19%2823%2921%2816-9-5-3-6-10-16%2922%2820%2818%2924%2917-11-7-4-8-12-17%2Fh3-13%2C18H%2C14H2%2C1-2H3, 43.4726982116699, 1.0, 4.0, 0.0417384915053844, , 18.0, 0.0, 26.0, 12.0, 5.0, 12.0, 0.204300001263618, 4.0, 3.22000002861023, 44.0, 5.31500005722046 -InChI%3D1S%2FC18H34O2.C2H7NO%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%3B3-1-2-4%2Fh9-10H%2C2-8%2C11-17H2%2C1H3%2C%28H%2C19%2C20%29%3B4H%2C1-3H2%2Fb10-9-%3B, 85.1280975341797, 2.0, 18.0, 12.4587821960449, , 3.0, 3.0, 22.0, 0.0, 20.0, 0.0, -3.52970004081726, 16.0, 3.22000002861023, 65.0, 6.91699981689453 -InChI%3D1S%2FC4H6O4S2%2Fc5-3%286%291%289%292%2810%294%287%298%2Fh1-2%2C9-10H%2C%28H%2C5%2C6%29%28H%2C7%2C8%29, 38.467399597168, 0.0, 4.0, 0.0520752407610416, , 3.0, 2.0, 9.0, 0.0, 10.0, 0.0, 0.228200003504753, 3.0, 1.24000000953674, 16.0, -0.342000007629395 -InChI%3D1S%2FC21H41N7O12%2Fc1-5-21%2836%2C4-30%2916%2840-17-9%2826-2%2913%2834%2910%2831%296%283-29%2938-17%2918%2837-5%2939-15-8%2828-20%2824%2925%2911%2832%297%2827-19%2822%2923%2912%2833%2914%2815%2935%2Fh5-18%2C26%2C29-36H%2C3-4H2%2C1-2H3%2C%28H4%2C22%2C23%2C27%29%28H4%2C24%2C25%2C28%29%2Ft5-%2C6%3F%2C7%2B%2C8%3F%2C9-%2C10-%2C11%2B%2C12-%2C13-%2C14%2B%2C15%2B%2C16-%2C17%3F%2C18%3F%2C21%2B%2Fm0%2Fs1, 123.145202636719, 3.0, 0.0, 37.2917861938477, , 4.0, 15.0, 42.0, 0.0, 4.0, 0.0, -6.10669994354248, 11.0, 1.67999994754791, 81.0, -3.77500009536743 -InChI%3D1S%2FC5H11Cl2N%2Fc1-8%284-2-6%295-3-7%2Fh2-5H2%2C1H3, 38.6747016906738, 0.0, 2.0, 2.72415018081665, , 0.0, 0.0, 7.0, 0.0, 8.0, 0.0, 1.65050005912781, 4.0, 1.67999994754791, 19.0, 1.59300005435944 -InChI%3D1S%2FC11H14N2O4%2Fc12-10%2814%2916-6-9%287-17-11%2813%2915%298-4-2-1-3-5-8%2Fh1-5%2C9H%2C6-7H2%2C%28H2%2C12%2C14%29%28H2%2C13%2C15%29, 31.8826007843018, 0.0, 3.0, 0.42968025803566, , 6.0, 4.0, 17.0, 6.0, 11.0, 6.0, 0.655499994754791, 7.0, 2.00999999046326, 31.0, 4.34600019454956 -InChI%3D1S%2FC35H60N2O4.2BrH%2Fc1-24%2838%2940-32-21-26-13-14-27-28%2835%2826%2C4%2923-31%2832%2937%286%2919-11-8-12-20-37%2915-16-34%283%2929%2827%2922-30%2833%2834%2941-25%282%2939%2936%285%2917-9-7-10-18-36%3B%3B%2Fh26-33H%2C7-23H2%2C1-6H3%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2%2Ft26-%2C27%3F%2C28-%2C29-%2C30-%2C31-%2C32%3F%2C33-%2C34%3F%2C35%3F%3B%3B%2Fm0..%2Fs1, , 1.0, 2.0, , , 3.0, 0.0, 46.0, 0.0, 4.0, 0.0, , 6.0, 4.42999982833862, 103.0, 8.28600025177002 -InChI%3D1S%2FC4H4N2OS%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29, 11.256199836731, 0.0, 0.0, 0.00257048988714814, , 7.0, 1.0, 8.0, 6.0, 0.0, 6.0, 0.0507000014185905, 0.0, 1.46000003814697, 12.0, 0.428999990224838 -InChI%3D1S%2FC11H16ClN3O4S2%2Fc1-6%282%293-11-14-8-4-7%2812%299%2820%2813%2C16%2917%295-10%288%2921%2818%2C19%2915-11%2Fh4-6%2C11%2C14-15H%2C3H2%2C1-2H3%2C%28H2%2C13%2C16%2C17%29, 51.5556983947754, 0.0, 3.0, 1.28142404556274, , 15.0, 3.0, 22.0, 6.0, 4.0, 6.0, -1.13199996948242, 3.0, 1.57000005245209, 37.0, 0.632000029087067 -InChI%3D1S%2FC40H56%2Fc1-31%2819-13-21-33%283%2925-27-37-35%285%2923-15-29-39%2837%2C7%298%2917-11-12-18-32%282%2920-14-22-34%284%2926-28-38-36%286%2924-16-30-40%2838%2C9%2910%2Fh11-14%2C17-22%2C25-28H%2C15-16%2C23-24%2C29-30H2%2C1-10H3%2Fb12-11%2B%2C19-13%2B%2C20-14%2B%2C27-25%2B%2C28-26%2B%2C31-17-%2C32-18%2B%2C33-21%2B%2C34-22%2B, 189.290603637695, 1.0, 18.0, 79.834228515625, , 22.0, 0.0, 41.0, 0.0, 22.0, 0.0, 8.9350004196167, 10.0, 5.8600001335144, 96.0, 14.7340002059937 -InChI%3D1S%2FC11H9I3N2O4%2Fc1-3%2817%2916-9-7%2813%294%2810%2818%2915-2%296%2812%295%288%289%2914%2911%2819%2920%2Fh1-2H3%2C%28H%2C15%2C18%29%28H%2C16%2C17%29%28H%2C19%2C20%29, 76.8516006469727, 0.0, 0.0, 13.2001419067383, , 15.0, 3.0, 20.0, 6.0, 4.0, 6.0, 3.63319993019104, 3.0, 1.67999994754791, 29.0, 3.37899994850159 -InChI%3D1S%2FC18H21NO4%2Fc1-19-8-7-17-14-10-3-4-12%2822-2%2915%2814%2923-16%2817%2911%2820%295-6-18%2817%2C21%2913%2819%299-10%2Fh3-4%2C13%2C16%2C21H%2C5-9H2%2C1-2H3%2Ft13-%2C16%2B%2C17%2B%2C18-%2Fm1%2Fs1, 60.1147994995117, 0.0, 0.0, 1.11661493778229, , 8.0, 1.0, 27.0, 6.0, 2.0, 6.0, -1.0566999912262, 1.0, 2.89000010490417, 44.0, 0.515999972820282 -InChI%3D1S%2FC21H30NO4.BrH%2Fc1-3-4-10-22%282%2917-11-15%2812-18%2822%2920-19%2817%2926-20%2925-21%2824%2916%2813-23%2914-8-6-5-7-9-14%3B%2Fh5-9%2C15-20%2C23H%2C3-4%2C10-13H2%2C1-2H3%3B1H%2Fq%2B1%3B%2Fp-1%2Ft15-%2C16-%2C17-%2C18%3F%2C19%3F%2C20%2B%2C22%3F%3B%2Fm1.%2Fs1, , 0.0, 4.0, , , 6.0, 1.0, 29.0, 6.0, 6.0, 6.0, , 8.0, 3.10999989509583, 57.0, 4.50500011444092 -InChI%3D1S%2FC12H14N2O2%2Fc1-2-12%289-6-4-3-5-7-9%2910%2815%2913-8-14-11%2812%2916%2Fh3-7H%2C2%2C8H2%2C1H3%2C%28H%2C13%2C15%29%28H%2C14%2C16%29, 32.5567016601562, 0.0, 2.0, 1.57904350757599, , 6.0, 2.0, 17.0, 6.0, 2.0, 6.0, -1.25660002231598, 2.0, 2.33999991416931, 30.0, 3.51799988746643 -InChI%3D1S%2FC20H25NO2%2Fc1-3-21%284-2%2915-16-23-20%2822%2919%2817-11-7-5-8-12-17%2918-13-9-6-10-14-18%2Fh5-14%2C19H%2C3-4%2C15-16H2%2C1-2H3, 42.2167015075684, 1.0, 2.0, 0.256036013364792, , 6.0, 0.0, 24.0, 12.0, 11.0, 12.0, 0.505999982357025, 9.0, 3.32999992370605, 48.0, 7.30000019073486 -InChI%3D1S%2FC30H50O%2Fc1-8-22%2819%282%293%2910-9-20%284%2924-13-14-26-23-11-12-25-21%285%2928%2831%2916-18-30%2825%2C7%2927%2823%2915-17-29%2824%2C26%296%2Fh8%2C11%2C19-21%2C24-28%2C31H%2C9-10%2C12-18H2%2C1-7H3%2Ft20-%2C21%3F%2C24-%2C25%3F%2C26%2B%2C27%2B%2C28%2B%2C29%3F%2C30%2B%2Fm1%2Fs1, 132.361206054688, 1.0, 7.0, 6.30461883544922, , 2.0, 1.0, 34.0, 0.0, 10.0, 0.0, 2.51090002059937, 5.0, 4.65000009536743, 81.0, 11.1160001754761 -InChI%3D1S%2FC6H6Cl2N2O4S2%2Fc7-4-1-3%2815%289%2C11%2912%292-5%286%284%298%2916%2810%2C13%2914%2Fh1-2H%2C%28H2%2C9%2C11%2C12%29%28H2%2C10%2C13%2C14%29, 33.5144004821777, 0.0, 0.0, 0.147763356566429, , 14.0, 2.0, 16.0, 6.0, 3.0, 6.0, -0.384400010108948, 2.0, 1.01999998092651, 22.0, -0.843999981880188 -InChI%3D1S%2FC18H19F3N2S%2Fc1-22%282%2910-5-11-23-14-6-3-4-7-16%2814%2924-17-9-8-13%2812-15%2817%2923%2918%2819%2C20%2921%2Fh3-4%2C6-9%2C12H%2C5%2C10-11H2%2C1-2H3, 43.7535018920898, 1.0, 3.0, 2.73869395256042, , 13.0, 0.0, 26.0, 12.0, 6.0, 12.0, 1.65489995479584, 5.0, 2.77999997138977, 43.0, 5.47499990463257 -InChI%3D1S%2FC18H22N2O2S%2Fc1-14%2812-19%282%293%2913-20-15-8-4-6-10-17%2815%2923%2821%2C22%2918-11-7-5-9-16%2818%2920%2Fh4-11%2C14H%2C12-13H2%2C1-3H3, 43.790699005127, 0.0, 3.0, 0.00141376000829041, , 16.0, 0.0, 25.0, 12.0, 7.0, 12.0, -0.0375999994575977, 4.0, 2.89000010490417, 45.0, 3.43700003623962 -InChI%3D1S%2FC20H34O5%2Fc1-2-3-6-9-15%2821%2912-13-17-16%2818%2822%2914-19%2817%2923%2910-7-4-5-8-11-20%2824%2925%2Fh4%2C7%2C12-13%2C15-19%2C21-23H%2C2-3%2C5-6%2C8-11%2C14H2%2C1H3%2C%28H%2C24%2C25%29%2Fb7-4-%2C13-12%2B%2Ft15-%2C16%2B%2C17%3F%2C18-%2C19%3F%2Fm0%2Fs1, 88.5842971801758, 1.0, 8.0, 7.68620157241821, , 3.0, 4.0, 25.0, 0.0, 9.0, 0.0, -2.77239990234375, 12.0, 3.10999989509583, 59.0, 3.20300006866455 -InChI%3D1S%2FC20H28O2%2Fc1-18-9-6-14%2821%2912-13%2818%294-5-15-16%2818%297-10-19%282%2917%2815%298-11-20%2819%2C3%2922%2Fh6%2C9%2C12%2C15-17%2C22H%2C4-5%2C7-8%2C10-11H2%2C1-3H3%2Ft15%3F%2C16-%2C17-%2C18%3F%2C19%3F%2C20-%2Fm0%2Fs1, 88.9448013305664, 0.0, 0.0, 1.62307596206665, , 6.0, 1.0, 25.0, 0.0, 0.0, 0.0, 1.27400004863739, 0.0, 3.44000005722046, 50.0, 4.51999998092651 -InChI%3D1S%2FC22H30O4%2Fc1-20-9-5-15%2823%2913-14%2820%293-4-16-17%2820%296-10-21%282%2918%2816%297-11-22%2821%2C26%2912-8-19%2824%2925%2Fh3-4%2C13%2C16-18%2C26H%2C5-12H2%2C1-2H3%2C%28H%2C24%2C25%29%2Ft16%3F%2C17-%2C18-%2C20-%2C21-%2C22%2B%2Fm0%2Fs1, 100.375198364258, 0.0, 3.0, 1.08743178844452, , 6.0, 2.0, 29.0, 0.0, 5.0, 0.0, 1.042799949646, 3.0, 3.44000005722046, 56.0, 3.40899991989136 -InChI%3D1S%2FC15H13NO2S%2Fc1-16-11-4-2-3-5-13%2811%2919-14-7-6-10%288-12%2814%2916%299-15%2817%2918%2Fh2-8H%2C9H2%2C1H3%2C%28H%2C17%2C18%29, 28.1567001342773, 0.0, 2.0, 0.251101195812225, , 13.0, 1.0, 21.0, 12.0, 4.0, 12.0, 0.50110000371933, 2.0, 2.67000007629395, 32.0, 3.37899994850159 -InChI%3D1S%2FC14H11ClN2O4S%2Fc15-11-6-5-8%287-12%2811%2922%2816%2C20%2921%2914%2819%2910-4-2-1-3-9%2810%2913%2818%2917-14%2Fh1-7%2C19H%2C%28H%2C17%2C18%29%28H2%2C16%2C20%2C21%29, 30.0988006591797, 0.0, 0.0, 0.509938836097717, , 10.0, 3.0, 24.0, 12.0, 3.0, 12.0, -0.714100003242493, 2.0, 2.11999988555908, 33.0, 1.81500005722046 -InChI%3D1S%2FC17H13ClN4%2Fc1-11-20-21-16-10-19-17%2812-5-3-2-4-6-12%2914-9-13%2818%297-8-15%2814%2922%2811%2916%2Fh2-9H%2C10H2%2C1H3, 25.5408000946045, 1.0, 0.0, 0.240688353776932, , 19.0, 1.0, 25.0, 17.0, 0.0, 17.0, 0.490599989891052, 1.0, 2.77999997138977, 35.0, 5.44399976730347 -InChI%3D1S%2FC21H23ClFN3O%2Fc1-3-25%284-2%2911-12-26-19-10-9-15%2822%2913-17%2819%2921%2824-14-20%2826%2927%2916-7-5-6-8-18%2816%2923%2Fh5-10%2C13H%2C3-4%2C11-12%2C14H2%2C1-2H3, 57.3981018066406, 0.0, 2.0, 1.0477569103241, , 17.0, 0.0, 29.0, 12.0, 7.0, 12.0, 1.02359998226166, 6.0, 3.10999989509583, 50.0, 4.08799982070923 -InChI%3D1S%2FC10H16N6S%2Fc1-8-9%2816-7-15-8%295-17-4-3-13-10%2812-2%2914-6-11%2Fh7H%2C3-5H2%2C1-2H3%2C%28H%2C15%2C16%29%28H2%2C12%2C13%2C14%29, 50.934398651123, 0.0, 2.0, 0.246313691139221, , 6.0, 4.0, 17.0, 5.0, 11.0, 0.0, 0.496300011873245, 7.0, 1.78999996185303, 32.0, 1.37899994850159 -InChI%3D1S%2FC18H20O2%2Fc1-3-17%2813-5-9-15%2819%2910-6-13%2918%284-2%2914-7-11-16%2820%2912-8-14%2Fh5-12%2C19-20H%2C3-4H2%2C1-2H3, 33.7085990905762, 1.0, 6.0, 0.0529920384287834, , 16.0, 2.0, 21.0, 12.0, 6.0, 12.0, -0.230199992656708, 4.0, 3.22000002861023, 40.0, 5.66200017929077 -InChI%3D1S%2FC13H13N3O6S%2Fc1-6%2817%2922-4-7-5-23-12-9%2815-8%2818%292-3-14%2911%2819%2916%2812%2910%287%2913%2820%2921%2Fh9%2C12H%2C2%2C4-5H2%2C1H3%2C%28H%2C15%2C18%29%28H%2C20%2C21%29%2Ft9-%2C12-%2Fm1%2Fs1, 77.7454986572266, 0.0, 3.0, 0.306472957134247, , 8.0, 2.0, 24.0, 0.0, 6.0, 0.0, -0.553600013256073, 6.0, 1.78999996185303, 36.0, -1.73099994659424 -InChI%3D1S%2FC21H27N5O9S2%2Fc1-9%282%2933-21%2830%2935-10%283%2934-19%2829%2915-11%286-31-4%297-36-18-14%2817%2828%2926%2815%2918%2924-16%2827%2913%2825-32-5%2912-8-37-20%2822%2923-12%2Fh8-10%2C14%2C18H%2C6-7H2%2C1-5H3%2C%28H2%2C22%2C23%29%28H%2C24%2C27%29%2Fb25-13%2B%2Ft10%3F%2C14-%2C18-%2Fm1%2Fs1, 131.410995483398, 2.0, 2.0, 0.75637811422348, , 8.0, 3.0, 39.0, 0.0, 12.0, 0.0, 0.869700014591217, 13.0, 2.00999999046326, 66.0, 1.84399998188019 -InChI%3D1S%2FC25H32O8.Na%2Fc1-23-9-7-15%2826%2911-14%2823%293-4-16-17-8-10-25%2832%2C24%2817%2C2%2912-18%2827%2922%2816%2923%2919%2828%2913-33-21%2831%296-5-20%2829%2930%3B%2Fh7%2C9%2C11%2C16-18%2C22%2C27%2C32H%2C3-6%2C8%2C10%2C12-13H2%2C1-2H3%2C%28H%2C29%2C30%29%3B%2Fq%3B%2B1%2Fp-1%2Ft16%3F%2C17-%2C18-%2C22%2B%2C23-%2C24-%2C25-%3B%2Fm0.%2Fs1, , 0.0, 4.0, , , 6.0, 2.0, 36.0, 0.0, 11.0, 0.0, , 7.0, 3.22000002861023, 65.0, 0.221000000834465 -InChI%3D1S%2FC27H44O3%2Fc1-18%288-6-14-26%283%2C4%2930%2923-12-13-24-20%289-7-15-27%2823%2C24%295%2910-11-21-16-22%2828%2917-25%2829%2919%2821%292%2Fh10-11%2C18%2C22-25%2C28-30H%2C2%2C6-9%2C12-17H2%2C1%2C3-5H3%2Fb20-10%2B%2C21-11%2B%2Ft18-%2C22-%2C23-%2C24%2B%2C25%2B%2C27%3F%2Fm1%2Fs1, 120.530403137207, 1.0, 7.0, 0.5695720911026, , 6.0, 3.0, 32.0, 0.0, 9.0, 0.0, 0.754700005054474, 6.0, 4.09999990463257, 74.0, 6.74499988555908 -InChI%3D1S%2FC18H36N4O11%2Fc19-4-1-5%2820%2916%2833-18-13%2828%298%2821%2910%2825%296%282-23%2931-18%2914%2829%2915%284%2932-17-9%2822%2912%2827%2911%2826%297%283-24%2930-17%2Fh4-18%2C23-29H%2C1-3%2C19-22H2%2Ft4-%2C5%2B%2C6%3F%2C7%2B%2C8-%2C9%3F%2C10%2B%2C11%2B%2C12%2B%2C13%2B%2C14-%2C15%3F%2C16%3F%2C17%2B%2C18%3F%2Fm0%2Fs1, 104.180702209473, 2.0, 0.0, 56.1555404663086, , 0.0, 11.0, 35.0, 0.0, 2.0, 0.0, -7.49370002746582, 6.0, 1.78999996185303, 69.0, -5.48600006103516 -InChI%3D1S%2FC18H27NO2%2Fc1-3-19%284-2%2914-15-21-17%2820%2918%2812-8-9-13-18%2916-10-6-5-7-11-16%2Fh5-7%2C10-11H%2C3-4%2C8-9%2C12-15H2%2C1-2H3, 56.7695999145508, 1.0, 2.0, 0.0290020909160376, , 6.0, 0.0, 22.0, 6.0, 10.0, 6.0, -0.170300006866455, 8.0, 3.10999989509583, 48.0, 5.39200019836426 -InChI%3D1S%2FC6H9N3O2%2Fc7-5%286%2810%2911%291-4-2-8-3-9-4%2Fh2-3%2C5H%2C1%2C7H2%2C%28H%2C8%2C9%29%28H%2C10%2C11%29%2Ft5-%2Fm0%2Fs1, 19.2159996032715, 0.0, 3.0, 0.794237434864044, , 3.0, 4.0, 11.0, 5.0, 6.0, 0.0, -0.891200006008148, 3.0, 1.57000005245209, 19.0, -3.0220000743866 -InChI%3D1S%2FC2H5NO2%2Fc1-2%284%293-5%2Fh5H%2C1H3%2C%28H%2C3%2C4%29, 16.1786003112793, 0.0, 0.0, 0.0353440009057522, , 4.0, 2.0, 4.0, 0.0, 5.0, 0.0, -0.187999993562698, 0.0, 1.35000002384186, 10.0, 0.163000002503395 -InChI%3D1S%2FC11H15Cl2N5%2Fc1-6%282%2916-10%2814%2918-11%2815%2917-7-3-4-8%2812%299%2813%295-7%2Fh3-6H%2C1-2H3%2C%28H5%2C14%2C15%2C16%2C17%2C18%29, 46.3259010314941, 0.0, 3.0, 1.23899161815643, , 13.0, 5.0, 18.0, 6.0, 10.0, 6.0, 1.11310005187988, 6.0, 1.89999997615814, 33.0, 3.86500000953674 -InChI%3D1S%2FC21H26O3%2Fc1-14%288-7-9-15%282%2912-21%2822%2923%2910-11-19-16%283%2913-20%2824-6%2918%285%2917%2819%294%2Fh7-13H%2C1-6H3%2C%28H%2C22%2C23%29, 80.8047027587891, 1.0, 9.0, 18.4186897277832, , 18.0, 1.0, 24.0, 6.0, 13.0, 6.0, 4.29169988632202, 6.0, 3.44000005722046, 50.0, 6.02899980545044 -InChI%3D1S%2FC6H13NO2%2Fc1-4%282%293-5%287%296%288%299%2Fh4-5H%2C3%2C7H2%2C1-2H3%2C%28H%2C8%2C9%29%2Ft5-%2Fm0%2Fs1, 33.4837989807129, 0.0, 5.0, 0.101314887404442, , 3.0, 2.0, 8.0, 0.0, 9.0, 0.0, -0.318300008773804, 3.0, 1.78999996185303, 22.0, -1.38900005817413 -InChI%3D1S%2FC18H23NO3%2Fc1-13%282-3-14-4-7-16%2820%298-5-14%2919-11-10-15-6-9-17%2821%2918%2822%2912-15%2Fh4-9%2C12-13%2C19-22H%2C2-3%2C10-11H2%2C1H3, 37.2313995361328, 0.0, 4.0, 3.09337735176086, , 8.0, 4.0, 23.0, 12.0, 7.0, 12.0, -1.75880002975464, 7.0, 3.0, 45.0, 3.65899991989136 -InChI%3D1S%2FC15H24N2O4S%2Fc1-5-17%286-2%2910-9-16-15%2818%2913-11-12%2822%284%2C19%2920%297-8-14%2813%2921-3%2Fh7-8%2C11H%2C5-6%2C9-10H2%2C1-4H3%2C%28H%2C16%2C18%29, 62.2471008300781, 0.0, 2.0, 0.00375769007951021, , 13.0, 1.0, 22.0, 6.0, 10.0, 6.0, 0.0612999983131886, 8.0, 2.33999991416931, 46.0, 1.64199995994568 -InChI%3D1S%2FC27H36N2O4%2Fc1-4-33-25-17-20%2812-13-22%2825%2927%2831%2932%2918-26%2830%2928-23%2816-19%282%293%2921-10-6-7-11-24%2821%2929-14-8-5-9-15-29%2Fh6-7%2C10-13%2C17%2C19%2C23H%2C4-5%2C8-9%2C14-16%2C18H2%2C1-3H3%2C%28H%2C28%2C30%29%28H%2C31%2C32%29, 74.9357986450195, 1.0, 4.0, 0.0623001605272293, , 10.0, 2.0, 35.0, 12.0, 9.0, 12.0, -0.249599993228912, 10.0, 3.76999998092651, 69.0, 6.57000017166138 -InChI%3D1S%2FC19H23N5O3%2Fc1-10-11%285-6-13-16%2810%2918%2820%2924-19%2821%2923-13%299-22-12-7-14%2825-2%2917%2827-4%2915%288-12%2926-3%2Fh5-8%2C22H%2C9H2%2C1-4H3%2C%28H4%2C20%2C21%2C23%2C24%29, 52.8600006103516, 0.0, 0.0, 0.127449005842209, , 12.0, 5.0, 29.0, 12.0, 2.0, 12.0, -0.35699999332428, 6.0, 2.67000007629395, 50.0, 3.21000003814697 -InChI%3D1S%2FC39H69NO14.C18H36O2%2Fc1-15-27-39%2811%2C47%2932%2843%2921%284%2929%2842%2919%282%2917-37%289%2C46%2934%2854-36-31%2851-25%288%2941%2926%2840%2812%2913%2916-20%283%2949-36%2922%285%2930%2823%286%2935%2845%2952-27%2953-28-18-38%2810%2C48-14%2933%2844%2924%287%2950-28%3B1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%2Fh19-24%2C26-28%2C30-34%2C36%2C43-44%2C46-47H%2C15-18H2%2C1-14H3%3B2-17H2%2C1H3%2C%28H%2C19%2C20%29%2Ft19-%2C20-%2C21%2B%2C22%2B%2C23-%2C24%2B%2C26%2B%2C27-%2C28%2B%2C30%2B%2C31%3F%2C32-%2C33%2B%2C34-%2C36%2B%2C37-%2C38-%2C39-%3B%2Fm1.%2Fs1, 251.973495483398, , 18.0, 42.9903144836426, , 3.0, 5.0, 75.0, 0.0, 20.0, 0.0, -6.55670022964478, 25.0, 5.8600001335144, 179.0, -InChI%3D1S%2FC15H20N2O2%2Fc18-14-16-12-15%2819-14%297-10-17%2811-8-15%299-6-13-4-2-1-3-5-13%2Fh1-5H%2C6-12H2%2C%28H%2C16%2C18%29, 43.9656982421875, 0.0, 2.0, 0.0904204919934273, , 6.0, 1.0, 21.0, 6.0, 2.0, 6.0, -0.300700008869171, 3.0, 2.67000007629395, 39.0, 4.16699981689453 -InChI%3D1S%2FC22H24N2O2%2Fc1-17-7-9-18%2810-8-17%2920%2813-16-24-14-2-3-15-24%2921-6-4-5-19%2823-21%2911-12-22%2825%2926%2Fh4-13H%2C2-3%2C14-16H2%2C1H3%2C%28H%2C25%2C26%29, 54.921199798584, 1.0, 3.0, 0.257556259632111, , 19.0, 1.0, 28.0, 12.0, 5.0, 12.0, 0.507499992847443, 6.0, 3.44000005722046, 50.0, 6.17399978637695 -InChI%3D1S%2FC9H7Cl2N5%2Fc10-5-3-1-2-4%286%285%2911%297-8%2812%2914-9%2813%2916-15-7%2Fh1-3H%2C%28H4%2C12%2C13%2C14%2C16%29, 36.5284004211426, 0.0, 0.0, 0.00481635984033346, , 6.0, 5.0, 17.0, 6.0, 0.0, 6.0, -0.0693999975919724, 1.0, 1.67999994754791, 27.0, 2.11199998855591 -InChI%3D1S%2FC22H28N2O%2Fc1-2-22%2825%2924%2820-11-7-4-8-12-20%2921-14-17-23%2818-15-21%2916-13-19-9-5-3-6-10-19%2Fh3-12%2C21H%2C2%2C13-18H2%2C1H3, 48.5969009399414, 1.0, 3.0, 0.75951224565506, , 9.0, 0.0, 27.0, 12.0, 5.0, 12.0, -0.871500015258789, 7.0, 3.54999995231628, 53.0, 6.73199987411499 -InChI%3D1S%2FC14H19N3O%2Fc1-3-17%284-2%2911-10-13-15-14%2816-18-13%2912-8-6-5-7-9-12%2Fh5-9H%2C3-4%2C10-11H2%2C1-2H3, 32.121898651123, 0.0, 2.0, 0.0830016136169434, , 6.0, 2.0, 19.0, 11.0, 7.0, 6.0, 0.288100004196167, 6.0, 2.55999994277954, 37.0, 4.28999996185303 -InChI%3D1S%2FC18H21N3O%2Fc1-19%282%2912-13-21-17-11-7-6-10-16%2817%2920%283%2915-9-5-4-8-14%2815%2918%2821%2922%2Fh4-11H%2C12-13H2%2C1-3H3, 39.7519989013672, 0.0, 2.0, 0.0774508863687515, , 16.0, 0.0, 24.0, 12.0, 5.0, 12.0, -0.278299987316132, 3.0, 3.0, 43.0, 3.49600005149841 -InChI%3D1S%2FC22H20O13%2Fc1-4-8-5%282-6%2824%299%284%2922%2833%2934%2913%2825%2910-11%2815%288%2927%2916%2828%2912%2818%2830%2917%2810%2929%2921-20%2832%2919%2831%2914%2826%297%283-23%2935-21%2Fh2%2C7%2C14%2C19-21%2C23-24%2C26%2C28-32H%2C3H2%2C1H3%2C%28H%2C33%2C34%29%2Ft7-%2C14%3F%2C19%2B%2C20-%2C21-%2Fm1%2Fs1, 67.2509994506836, 1.0, 0.0, 17.6593246459961, , 23.0, 9.0, 38.0, 12.0, 2.0, 12.0, -4.20230007171631, 3.0, 2.45000004768372, 55.0, -2.27900004386902 -InChI%3D1S%2FC37H40N2O6.2ClH%2Fc1-38-14-12-24-19-32%2842-4%2933-21-27%2824%2928%2838%2916-22-6-9-26%2810-7-22%2944-37-35-25%2820-34%2843-5%2936%2837%2941%2913-15-39%282%2C3%2929%2835%2917-23-8-11-30%2840%2931%2818-23%2945-33%3B%3B%2Fh6-11%2C18-21%2C28-29H%2C12-17H2%2C1-5H3%2C%28H-%2C40%2C41%29%3B2%2A1H%2Ft28-%2C29%2B%3B%3B%2Fm0..%2Fs1, 75.277099609375, 1.0, 0.0, 4.9800386428833, , 15.0, 1.0, 51.0, 24.0, 2.0, 24.0, -2.23160004615784, 2.0, 4.42999982833862, 89.0, 5.89300012588501 -InChI%3D1S%2FC15H14ClNO3%2Fc1-9-7-12%288-13%2818%2919%2917%282%2914%289%2915%2820%2910-3-5-11%2816%296-4-10%2Fh3-7H%2C8H2%2C1-2H3%2C%28H%2C18%2C19%29, 36.8269004821777, 0.0, 2.0, 1.06708896160126, , 13.0, 1.0, 21.0, 11.0, 4.0, 11.0, 1.03299999237061, 4.0, 2.55999994277954, 34.0, 2.88599991798401 -InChI%3D1S%2FC24H31FO6%2Fc1-12-7-16-15-9-18%2825%2917-8-14%2827%295-6-22%2817%2C3%2921%2815%2919%2828%2910-23%2816%2C4%2924%2812%2C30%2920%2829%2911-31-13%282%2926%2Fh5-6%2C8%2C12%2C15-16%2C18-19%2C21%2C28%2C30H%2C7%2C9-11H2%2C1-4H3%2Ft12-%2C15%3F%2C16%2B%2C18%2B%2C19%2B%2C21-%2C22%2B%2C23%2B%2C24%2B%2Fm1%2Fs1, 110.249198913574, 0.0, 2.0, 0.182414412498474, , 6.0, 2.0, 34.0, 0.0, 7.0, 0.0, -0.427100002765656, 4.0, 3.32999992370605, 62.0, 1.34700000286102 -InChI%3D1S%2FC14H18N2O3%2Fc1-5-7-8-10%283%2914%289-6-2%2911%2817%2915-13%2819%2916%284%2912%2814%2918%2Fh6%2C10H%2C2%2C5%2C9H2%2C1%2C3-4H3%2C%28H%2C15%2C17%2C19%29, 72.0988006591797, 0.0, 6.0, 1.20121598243713, , 8.0, 1.0, 19.0, 0.0, 6.0, 0.0, 1.09599995613098, 3.0, 2.45000004768372, 37.0, 2.11400008201599 -InChI%3D1S%2FC2H2Cl2O2%2Fc3-1%284%292%285%296%2Fh1H%2C%28H%2C5%2C6%29, 22.619499206543, 0.0, 2.0, 0.931611061096191, , 3.0, 1.0, 5.0, 0.0, 6.0, 0.0, 0.965200006961823, 1.0, 1.24000000953674, 8.0, 0.570999979972839 -InChI%3D1S%2FC23H32O3%2Fc1-3-4-5-22%2825%2926-21-11-10-20-19-8-6-15-14-16%2824%297-9-17%2815%2918%2819%2912-13-23%2820%2C21%292%2Fh7%2C9%2C14%2C18-21%2C24H%2C3-6%2C8%2C10-13H2%2C1-2H3%2Ft18-%2C19%3F%2C20%2B%2C21%2B%2C23%2B%2Fm1%2Fs1, 72.5942993164062, 1.0, 5.0, 0.348808348178864, , 7.0, 1.0, 29.0, 6.0, 7.0, 6.0, -0.59060001373291, 5.0, 3.66000008583069, 58.0, 6.77699995040894 -InChI%3D1S%2FC26H37N5O2%2Fc1-5-11-30-17-19%2825%2832%2931%2826%2833%2927-6-2%2913-8-12-29%283%294%2914-21-20-9-7-10-22-24%2820%2918%2816-28-22%2915-23%2821%2930%2Fh5%2C7%2C9-10%2C16%2C19%2C21%2C23%2C28H%2C1%2C6%2C8%2C11-15%2C17H2%2C2-4H3%2C%28H%2C27%2C33%29%2Ft19-%2C21%3F%2C23-%2Fm1%2Fs1, 94.372802734375, 0.0, 3.0, 0.0630009993910789, , 7.0, 2.0, 36.0, 10.0, 14.0, 6.0, 0.250999987125397, 10.0, 3.54999995231628, 69.0, 2.87700009346008 -InChI%3D1S%2FC20H27N5O5S%2Fc1-15-14-18%2823-30-15%2919%2826%2921-11-10-16-6-8-17%289-7-16%2931%2828%2C29%2924-20%2827%2922-25-12-4-2-3-5-13-25%2Fh6-9%2C14H%2C2-5%2C10-13H2%2C1H3%2C%28H%2C21%2C26%29%28H2%2C22%2C24%2C27%29, 67.5449981689453, 0.0, 2.0, 2.8815062046051, , 14.0, 4.0, 33.0, 11.0, 7.0, 6.0, -1.69749999046326, 9.0, 2.45000004768372, 58.0, 3.50300002098083 -InChI%3D1S%2FC19H24O3%2Fc1-18-9-7-13%2820%2911-12%2818%293-4-14-15%2818%298-10-19%282%2916%2814%295-6-17%2821%2922-19%2Fh7%2C9%2C11%2C14-16H%2C3-6%2C8%2C10H2%2C1-2H3%2Ft14%3F%2C15-%2C16-%2C18%3F%2C19%3F%2Fm0%2Fs1, 83.4629974365234, 0.0, 0.0, 1.14832651615143, , 6.0, 0.0, 25.0, 0.0, 0.0, 0.0, 1.07159996032715, 0.0, 3.22000002861023, 46.0, 3.68300008773804 -InChI%3D1S%2FC43H55N5O7%2Fc1-6-39%2852%2921-25-22-42%2838%2851%2955-5%2C33-27%2813-17-47%2823-25%2924-39%2926-11-8-9-12-30%2826%2945-33%2929-19-28-31%2820-32%2829%2954-4%2946%283%2935-41%2828%2915-18-48-16-10-14-40%287-2%2C34%2841%2948%2936%2849%2943%2835%2C53%2937%2844%2950%2Fh8-12%2C14%2C19-20%2C25%2C27%2C34-36%2C49%2C52-53H%2C6-7%2C13%2C15-18%2C21-24H2%2C1-5H3%2C%28H2%2C44%2C50%29%2Ft25-%2C27%3F%2C34%2B%2C35-%2C36-%2C39%2B%2C40%3F%2C41-%2C42%2B%2C43%2B%2Fm1%2Fs1, 155.577606201172, 1.0, 0.0, 7.84448051452637, , 8.0, 5.0, 63.0, 12.0, 4.0, 12.0, -2.80080008506775, 7.0, 4.86999988555908, 110.0, 3.94700002670288 -InChI%3D1S%2FC14H17N3O9%2Fc1-6%2818%2923-5-9-11%2824-7%282%2919%2912%2825-8%283%2920%2913%2826-9%2917-14%2822%2916-10%2821%294-15-17%2Fh4%2C9%2C11-13H%2C5H2%2C1-3H3%2C%28H%2C16%2C21%2C22%29%2Ft9%3F%2C11-%2C12%3F%2C13-%2Fm1%2Fs1, 78.5476989746094, 1.0, 2.0, 3.13183808326721, , 5.0, 3.0, 27.0, 0.0, 5.0, 0.0, -1.769700050354, 8.0, 1.67999994754791, 47.0, -0.46000000834465 -InChI%3D1S%2FC17H23N3O%2Fc1-19%282%2912-13-20%2817-6-4-5-11-18-17%2914-15-7-9-16%2821-3%2910-8-15%2Fh4-11H%2C12-14H2%2C1-3H3, 38.6417999267578, 0.0, 2.0, 0.0457959994673729, , 7.0, 0.0, 22.0, 12.0, 7.0, 12.0, 0.214000001549721, 7.0, 2.89000010490417, 44.0, 3.18300008773804 -InChI%3D1S%2FC12H11I3N2O4%2Fc1-4%2818%2916-3-6-8%2813%297%2812%2820%2921%2910%2815%2911%289%286%2914%2917-5%282%2919%2Fh3H2%2C1-2H3%2C%28H%2C16%2C18%29%28H%2C17%2C19%29%28H%2C20%2C21%29, 81.3849029541016, 0.0, 2.0, 13.428560256958, , 12.0, 3.0, 21.0, 6.0, 5.0, 6.0, 3.66449999809265, 4.0, 1.78999996185303, 32.0, 3.375 -InChI%3D1S%2FC20H24N2OS%2Fc1-5-18%2823%2915-10-11-20-17%2812-15%2922%2813-14%282%2921%283%294%2916-8-6-7-9-19%2816%2924-20%2Fh6-12%2C14H%2C5%2C13H2%2C1-4H3, 54.7855987548828, 0.0, 3.0, 0.430860966444016, , 15.0, 0.0, 26.0, 12.0, 6.0, 12.0, 0.6564000248909, 5.0, 3.22000002861023, 48.0, 4.21799993515015 -InChI%3D1S%2FC16H23NO2%2Fc1-4-15%2818%2919-16%2814-8-6-5-7-9-14%2910-11-17%283%2912-13%2816%292%2Fh5-9%2C13H%2C4%2C10-12H2%2C1-3H3%2Ft13-%2C16%3F%2Fm1%2Fs1, 48.5085983276367, 0.0, 3.0, 0.0935136377811432, , 6.0, 0.0, 20.0, 6.0, 5.0, 6.0, -0.30579999089241, 4.0, 2.89000010490417, 42.0, 4.08900022506714 -InChI%3D1S%2FC22H23NO7%2Fc1-23-8-7-11-9-14-20%2829-10-28-14%2921%2827-4%2915%2811%2917%2823%2918-12-5-6-13%2825-2%2919%2826-3%2916%2812%2922%2824%2930-18%2Fh5-6%2C9%2C17-18H%2C7-8%2C10H2%2C1-4H3%2Ft17-%2C18%2B%2Fm1%2Fs1, 60.2657012939453, 0.0, 0.0, 0.0714492872357368, , 11.0, 0.0, 34.0, 12.0, 2.0, 12.0, -0.267300009727478, 4.0, 3.0, 53.0, 1.5789999961853 -InChI%3D1S%2FC24H29N5O3%2Fc1-4-5-10-21%2830%2929%2822%2816%282%293%2924%2831%2932%2915-17-11-13-18%2814-12-17%2919-8-6-7-9-20%2819%2923-25-27-28-26-23%2Fh6-9%2C11-14%2C16%2C22H%2C4-5%2C10%2C15H2%2C1-3H3%2C%28H%2C31%2C32%29%28H%2C25%2C26%2C27%2C28%29%2Ft22-%2Fm1%2Fs1, 53.2346992492676, 2.0, 5.0, 0.878156423568726, , 12.0, 5.0, 34.0, 17.0, 15.0, 12.0, -0.937099993228912, 11.0, 3.22000002861023, 60.0, 6.90000009536743 -InChI%3D1S%2FC4H11N5%2Fc1-9%282%294%287%298-3%285%296%2Fh1-2H3%2C%28H5%2C5%2C6%2C7%2C8%29, 31.2928009033203, 0.0, 0.0, 0.0497736111283302, , 7.0, 4.0, 8.0, 0.0, 9.0, 0.0, -0.223100006580353, 3.0, 1.35000002384186, 20.0, 0.558000028133392 -InChI%3D1S%2FC20H28N2O3%2Fc1-22-14-8-13-21-18%2822%2915-25-19%2823%2920%2824%2C16-9-4-2-5-10-16%2917-11-6-3-7-12-17%2Fh2%2C4-5%2C9-10%2C17%2C24H%2C3%2C6-8%2C11-15H2%2C1H3, 62.7070007324219, 0.0, 2.0, 6.55513620376587, , 6.0, 1.0, 27.0, 6.0, 6.0, 6.0, -2.56030011177063, 6.0, 3.10999989509583, 53.0, 4.82000017166138 -InChI%3D1S%2FC9H23NO3PS.HI%2Fc1-6-12-14%2811%2C13-7-2%2915-9-8-10%283%2C4%295%3B%2Fh6-9H2%2C1-5H3%3B1H%2Fq%2B1%3B%2Fp-1, , 0.0, 2.0, , , 4.0, 0.0, 14.0, 0.0, 15.0, 0.0, , 8.0, 1.67999994754791, 39.0, 1.53400003910065 -InChI%3D1S%2FC21H21N%2Fc1-22-14-12-18%2813-15-22%2921-19-8-4-2-6-16%2819%2910-11-17-7-3-5-9-20%2817%2921%2Fh2-11H%2C12-15H2%2C1H3, 45.119701385498, 1.0, 0.0, 1.42635250091553, , 16.0, 0.0, 25.0, 12.0, 0.0, 12.0, 1.19430005550385, 0.0, 3.66000008583069, 43.0, 7.96199989318848 -InChI%3D1S%2FC22H29NO2%2Fc1-5-21%2824%2925-22%2818%282%2917-23%283%294%2C20-14-10-7-11-15-20%2916-19-12-8-6-9-13-19%2Fh6-15%2C18H%2C5%2C16-17H2%2C1-4H3%2Ft18-%2C22%2B%2Fm1%2Fs1, 51.3361015319824, 1.0, 4.0, 0.155314803123474, , 6.0, 0.0, 26.0, 12.0, 13.0, 12.0, 0.39410001039505, 9.0, 3.54999995231628, 54.0, 7.62900018692017 -InChI%3D1S%2FC28H37FO7%2Fc1-6-23%2833%2935-15-22%2832%2928%2836-24%2834%297-2%2916%283%2912-20-19-9-8-17-13-18%2830%2910-11-25%2817%2C4%2927%2819%2C29%2921%2831%2914-26%2820%2C28%295%2Fh10-11%2C13%2C16%2C19-21%2C31H%2C6-9%2C12%2C14-15H2%2C1-5H3%2Ft16-%2C19%2B%2C20%3F%2C21%2B%2C25%2B%2C26%2B%2C27%3F%2C28%2B%2Fm1%2Fs1, 129.645294189453, 0.0, 3.0, 0.0011155599495396, , 6.0, 1.0, 39.0, 0.0, 8.0, 0.0, -0.0333999991416931, 8.0, 3.66000008583069, 73.0, 2.6949999332428 -InChI%3D1S%2FC14H14ClNS%2Fc15-13-4-2-1-3-11%2813%299-16-7-5-14-12%2810-16%296-8-17-14%2Fh1-4%2C6%2C8H%2C5%2C7%2C9-10H2, 33.3553009033203, 0.0, 0.0, 1.19880604743958, , 6.0, 0.0, 19.0, 11.0, 0.0, 11.0, 1.0949000120163, 2.0, 2.67000007629395, 31.0, 4.07999992370605 -InChI%3D1S%2FC28H24N6.2BrH%2Fc1-21-27%2823-13-5-3-6-14-23%2933%2825-17-9-11-19-31%2821%2925%2929-30-34-26-18-10-12-20-32%2826%2922%282%2928%2834%2924-15-7-4-8-16-24%3B%3B%2Fh3-20H%2C1-2H3%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2, , 1.0, 0.0, , , 6.0, 2.0, 39.0, 32.0, 2.0, 12.0, , 4.0, 3.66000008583069, 62.0, 10.2559995651245 -InChI%3D1S%2FC14H21N3O2S%2Fc1-15-20%2818%2C19%2910-11-4-5-14-13%288-11%2912%289-16-14%296-7-17%282%293%2Fh4-5%2C8-9%2C15-16H%2C6-7%2C10H2%2C1-3H3, 45.0059013366699, 0.0, 2.0, 0.113973759114742, , 7.0, 2.0, 21.0, 10.0, 6.0, 6.0, -0.337599992752075, 6.0, 2.33999991416931, 40.0, 1.08299994468689 -InChI%3D1S%2FC18H22I3N3O8%2Fc1-5%2826%2922-12-9%2819%298%2810%2820%2914%2811%2812%2921%2924%283%296%282%2927%2917%2830%2923-13-16%2829%2915%2828%297%284-25%2932-18%2813%2931%2Fh7%2C13%2C15-16%2C18%2C25%2C28-29%2C31H%2C4H2%2C1-3H3%2C%28H%2C22%2C26%29%28H%2C23%2C30%29%2Ft7%3F%2C13%3F%2C15-%2C16-%2C18%3F%2Fm1%2Fs1, 116.043800354004, 2.0, 0.0, 2.01412868499756, , 15.0, 6.0, 33.0, 6.0, 5.0, 6.0, 1.41919994354248, 6.0, 1.89999997615814, 54.0, 1.37399995326996 -InChI%3D1S%2FC13H16ClNO%2Fc1-15-13%289-5-4-8-12%2813%2916%2910-6-2-3-7-11%2810%2914%2Fh2-3%2C6-7%2C15H%2C4-5%2C8-9H2%2C1H3, 37.0854988098145, 0.0, 0.0, 0.166545614600182, , 6.0, 1.0, 17.0, 6.0, 2.0, 6.0, -0.408100008964539, 2.0, 2.55999994277954, 32.0, 2.96600008010864 -InChI%3D1S%2FCH5N3%2Fc2-1%283%294%2Fh%28H5%2C2%2C3%2C4%29, 11.1997003555298, 0.0, 0.0, 0.220430254936218, , 4.0, 3.0, 3.0, 0.0, 4.0, 0.0, -0.469500005245209, 0.0, 1.24000000953674, 9.0, -0.646000027656555 -InChI%3D1S%2FC17H24N2O2%2Fc1-3-19%284-2%2913-12-17%2814-8-6-5-7-9-14%2911-10-15%2820%2918-16%2817%2921%2Fh5-9H%2C3-4%2C10-13H2%2C1-2H3%2C%28H%2C18%2C20%2C21%29, 57.2960014343262, 0.0, 2.0, 0.0190716106444597, , 6.0, 1.0, 22.0, 6.0, 7.0, 6.0, -0.138099998235703, 6.0, 2.89000010490417, 45.0, 4.08099985122681 -InChI%3D1S%2FC20H23N5O6S%2Fc1-20%282%2913%2817%2828%2929%2925-15%2827%2912%2816%2825%2932-20%2922-14%2826%2911%2810-6-4-3-5-7-10%2923-19%2831%2924-9-8-21-18%2824%2930%2Fh3-7%2C11-13%2C16H%2C8-9H2%2C1-2H3%2C%28H%2C21%2C30%29%28H%2C22%2C26%29%28H%2C23%2C31%29%28H%2C28%2C29%29%2Ft11-%2C12%3F%2C13-%2C16%2B%2Fm0%2Fs1, 86.5372009277344, 1.0, 2.0, 0.00257048988714814, , 7.0, 4.0, 35.0, 6.0, 7.0, 6.0, 0.0507000014185905, 6.0, 2.33999991416931, 55.0, 2.80900001525879 -InChI%3D1S%2FC18H28N4O%2Fc1-3-5-13-22%2814-6-4-2%2915-12-19-18-20-17%2821-23-18%2916-10-8-7-9-11-16%2Fh7-11H%2C3-6%2C12-15H2%2C1-2H3%2C%28H%2C19%2C20%2C21%29, 61.5312004089355, 1.0, 4.0, 2.03918409347534, , 6.0, 2.0, 24.0, 6.0, 12.0, 6.0, -1.42799997329712, 10.0, 2.89000010490417, 53.0, 5.59899997711182 -InChI%3D1S%2FC10H15N3%2Fc1-11-10%2812-2%2913-8-9-6-4-3-5-7-9%2Fh3-7H%2C8H2%2C1-2H3%2C%28H2%2C11%2C12%2C13%29, 27.0251007080078, 0.0, 0.0, 0.347628146409988, , 6.0, 2.0, 13.0, 6.0, 7.0, 6.0, -0.589600026607513, 4.0, 2.23000001907349, 28.0, 3.15599989891052 -InChI%3D1S%2FC12H18N2O4%2Fc1-17-8-3-4-11%2818-2%299%285-8%2910%2815%297-14-12%2816%296-13%2Fh3-5%2C10%2C15H%2C6-7%2C13H2%2C1-2H3%2C%28H%2C14%2C16%29, 42.3800010681152, 0.0, 2.0, 3.46034407615662, , 8.0, 3.0, 18.0, 6.0, 8.0, 6.0, -1.86020004749298, 6.0, 2.11999988555908, 36.0, -0.261000007390976 -InChI%3D1S%2FC21H25NO3%2Fc23-20%2825-17-16-22-14-8-3-9-15-22%2921%2824%2C18-10-4-1-5-11-18%2919-12-6-2-7-13-19%2Fh1-2%2C4-7%2C10-13%2C24H%2C3%2C8-9%2C14-17H2, 41.6408996582031, 1.0, 2.0, 2.69189643859863, , 6.0, 1.0, 27.0, 12.0, 7.0, 12.0, -1.64069998264313, 7.0, 3.32999992370605, 50.0, 5.52699995040894 -InChI%3D1S%2FC5H9NO4S%2Fc6-3%285%289%2910%291-11-2-4%287%298%2Fh3H%2C1-2%2C6H2%2C%28H%2C7%2C8%29%28H%2C9%2C10%29, 39.0512008666992, 0.0, 3.0, 0.972590446472168, , 3.0, 3.0, 10.0, 0.0, 11.0, 0.0, -0.986199975013733, 5.0, 1.35000002384186, 20.0, -3.09400010108948 -InChI%3D1S%2FC24H34N2O5%2Fc1-3-31-24%2830%2919%2814-13-17-9-5-4-6-10-17%2925-16%282%2922%2827%2926-20-12-8-7-11-18%2820%2915-21%2826%2923%2828%2929%2Fh4-6%2C9-10%2C16%2C18-21%2C25H%2C3%2C7-8%2C11-15H2%2C1-2H3%2C%28H%2C28%2C29%29%2Ft16-%2C18%3F%2C19-%2C20-%2C21-%2Fm0%2Fs1, 81.7261962890625, 2.0, 4.0, 5.70397710800171, , 6.0, 2.0, 33.0, 6.0, 13.0, 6.0, -2.3882999420166, 11.0, 3.32999992370605, 65.0, 5.4850001335144 -InChI%3D1S%2FC35H42N2O9%2Fc1-40-21-8-9-22-23-11-12-37-18-20-15-29%2846-30%2838%2910-7-19-13-27%2841-2%2933%2843-4%2928%2814-19%2942-3%2934%2844-5%2931%2835%2839%2945-6%2924%2820%2917-26%2837%2932%2823%2936-25%2822%2916-21%2Fh7-10%2C13-14%2C16%2C20%2C24%2C26%2C29%2C31%2C34%2C36H%2C11-12%2C15%2C17-18H2%2C1-6H3%2Fb10-7%2B%2Ft20%3F%2C24%3F%2C26-%2C29%3F%2C31%2B%2C34%2B%2Fm1%2Fs1, 110.201301574707, 1.0, 3.0, 0.00683928979560733, , 14.0, 1.0, 51.0, 16.0, 5.0, 12.0, -0.0826999992132187, 11.0, 4.09999990463257, 87.0, 3.5 -InChI%3D1S%2FC20H22N2S%2Fc1-3-7-19-17%285-1%2922%2818-6-2-4-8-20%2818%2923-19%2914-16-13-21-11-9-15%2816%2910-12-21%2Fh1-8%2C15-16H%2C9-14H2, 43.8670997619629, 0.0, 0.0, 0.275415033102036, , 13.0, 0.0, 27.0, 12.0, 0.0, 12.0, -0.524800002574921, 2.0, 3.32999992370605, 45.0, 4.76300001144409 -InChI%3D1S%2FC15H16N4O%2Fc1-3-19-15-13%2810%282%2918-19%2917-12%2820%299-16-14%2815%2911-7-5-4-6-8-11%2Fh4-8H%2C3%2C9H2%2C1-2H3%2C%28H%2C17%2C20%29, 38.2625007629395, 0.0, 2.0, 0.173388957977295, , 8.0, 2.0, 22.0, 11.0, 2.0, 6.0, 0.416399985551834, 2.0, 2.55999994277954, 36.0, 2.91000008583069 -InChI%3D1S%2FC17H27NO2%2Fc1-18%282%2913-16%2817%2819%2911-5-4-6-12-17%2914-7-9-15%2820-3%2910-8-14%2Fh7-10%2C16%2C19H%2C4-6%2C11-13H2%2C1-3H3, 51.6282005310059, 0.0, 2.0, 1.50430226325989, , 7.0, 1.0, 21.0, 6.0, 5.0, 6.0, -1.22650003433228, 5.0, 3.0, 47.0, 3.23900008201599 -InChI%3D1S%2FC15H23N3O4S%2Fc1-14%282%299%2812%2820%2921%2918-10%2819%298%2811%2818%2923-14%2917-13%2822%2915%2816%296-4-3-5-7-15%2Fh8-9%2C11H%2C3-7%2C16H2%2C1-2H3%2C%28H%2C17%2C22%29%28H%2C20%2C21%29%2Ft8-%2C9%2B%2C11-%2Fm1%2Fs1, 78.685302734375, 0.0, 0.0, 1.79854917526245, , 3.0, 3.0, 25.0, 0.0, 3.0, 0.0, -1.34109997749329, 3.0, 2.23000001907349, 46.0, -1.97500002384186 -InChI%3D1S%2FC17H25NO4%2Fc1-20-13-11-15%2821-2%2917%2816%2812-13%2922-3%2914%2819%297-6-10-18-8-4-5-9-18%2Fh11-12H%2C4-10H2%2C1-3H3, 57.6119995117188, 0.0, 4.0, 1.4409601688385, , 11.0, 0.0, 23.0, 6.0, 5.0, 6.0, -1.20039999485016, 8.0, 2.77999997138977, 47.0, 1.51300001144409 -InChI%3D1S%2FC14H15N3O5S2.Na%2Fc1-9%2818%2917-24%2821%2C22%2914-8-11%2816%294-7-13%2814%2923%2819%2C20%2912-5-2-10%2815%293-6-12%3B%2Fh2-8H%2C15-16H2%2C1H3%2C%28H%2C17%2C18%29%3B%2Fq%3B%2B1%2Fp-1, , 0.0, 0.0, , , 23.0, 2.0, 25.0, 12.0, 7.0, 12.0, , 4.0, 1.78999996185303, 39.0, 0.177000001072884 -InChI%3D1S%2FC14H22ClNO2%2Fc1-10-5-6-12%2815%2913%287-10%2918-9-11%2817%298-16-14%282%2C3%294%2Fh5-7%2C11%2C16-17H%2C8-9H2%2C1-4H3, 50.9241981506348, 0.0, 3.0, 1.84389245510101, , 7.0, 2.0, 18.0, 6.0, 10.0, 6.0, 1.35790002346039, 6.0, 2.55999994277954, 40.0, 3.01300001144409 -InChI%3D1S%2FC5H10N2O3%2Fc6-3%285%289%2910%291-2-4%287%298%2Fh3H%2C1-2%2C6H2%2C%28H2%2C7%2C8%29%28H%2C9%2C10%29, 30.7014007568359, 0.0, 5.0, 2.19513845443726, , 3.0, 4.0, 9.0, 0.0, 10.0, 0.0, -1.48160004615784, 4.0, 1.46000003814697, 20.0, -2.94300007820129 -InChI%3D1S%2FC18H22N2%2Fc1-19-12-14-20%2815-13-19%2918%2816-8-4-2-5-9-16%2917-10-6-3-7-11-17%2Fh2-11%2C18H%2C12-15H2%2C1H3, 33.7393989562988, 1.0, 0.0, 0.0155500900000334, , 6.0, 0.0, 22.0, 12.0, 0.0, 12.0, 0.124700002372265, 3.0, 3.22000002861023, 42.0, 5.55900001525879 -InChI%3D1S%2FC13H18ClN3O4S2%2Fc14-9-6-10-12%287-11%289%2922%2815%2C18%2919%2923%2820%2C21%2917-13%2816-10%295-8-3-1-2-4-8%2Fh6-8%2C13%2C16-17H%2C1-5H2%2C%28H2%2C15%2C18%2C19%29, 54.8175010681152, 0.0, 0.0, 4.30894565582275, , 15.0, 3.0, 25.0, 6.0, 3.0, 6.0, -2.0757999420166, 3.0, 1.78999996185303, 41.0, 1.42999994754791 -InChI%3D1S%2FC17H12ClF3N2O%2Fc18-12-6-7-14-13%288-12%2916%2811-4-2-1-3-5-11%2922-9-15%2824%2923%2814%2910-17%2819%2C20%2921%2Fh1-8H%2C9-10H2, 35.3689994812012, 1.0, 2.0, 0.831379234790802, , 17.0, 0.0, 26.0, 12.0, 5.0, 12.0, 0.911800026893616, 3.0, 2.55999994277954, 36.0, 5.27699995040894 -InChI%3D1S%2FC8H12N4O5%2Fc9-7-10-2-12%288%2816%2911-7%296-5%2815%294%2814%293%281-13%2917-6%2Fh2-6%2C13-15H%2C1H2%2C%28H2%2C9%2C11%2C16%29%2Ft3%3F%2C4-%2C5-%2C6%3F%2Fm1%2Fs1, 51.6804008483887, 1.0, 0.0, 3.01057195663452, , 4.0, 7.0, 18.0, 0.0, 2.0, 0.0, -1.73510003089905, 2.0, 1.35000002384186, 33.0, -1.72200000286102 -InChI%3D1S%2FC4H7NO2S%2Fc6-4%287%293-1-8-2-5-3%2Fh3%2C5H%2C1-2H2%2C%28H%2C6%2C7%29, 30.5816993713379, 0.0, 0.0, 0.0439321584999561, , 3.0, 2.0, 8.0, 0.0, 3.0, 0.0, -0.209600001573563, 1.0, 1.46000003814697, 15.0, -0.287999987602234 -InChI%3D1S%2FC21H24ClN3O3%2Fc1-24%2815-20%2826%2925-10-12-28-13-11-25%2914-17-18%2822%298-5-9-19%2817%2923-21%2827%2916-6-3-2-4-7-16%2Fh2-9H%2C10-15H2%2C1H3%2C%28H%2C23%2C27%29, 59.8703002929688, 0.0, 2.0, 0.023870250210166, , 15.0, 1.0, 30.0, 12.0, 6.0, 12.0, -0.154499992728233, 7.0, 3.0, 52.0, 3.92700004577637 -InChI%3D1S%2FC16H25NO3%2Fc1-11%282%2914-10-15%2820-13%284%2918%2912%283%299-16%2814%2919-8-7-17%285%296%2Fh9-11H%2C7-8H2%2C1-6H3, 56.8208999633789, 0.0, 2.0, 1.48986434936523, , 10.0, 0.0, 20.0, 6.0, 6.0, 6.0, 1.22060000896454, 7.0, 2.77999997138977, 45.0, 3.28299999237061 -InChI%3D1S%2FC16H20N4O3S%2Fc1-11%282%2918-16%2821%2920-24%2822%2C23%2915-10-17-8-7-14%2815%2919-13-6-4-5-12%283%299-13%2Fh4-11H%2C1-3H3%2C%28H%2C17%2C19%29%28H2%2C18%2C20%2C21%29, 67.4225997924805, 0.0, 0.0, 0.294523298740387, , 8.0, 3.0, 25.0, 6.0, 10.0, 6.0, -0.542699992656708, 5.0, 2.33999991416931, 48.0, 3.16000008583069 -InChI%3D1S%2FC20H28N2O5S%2Fc1-4-26-17-7-5-6-8-18%2817%2927-12-11-22-15%282%2913-16-9-10-19%2825-3%2920%2814-16%2928%2821%2C23%2924%2Fh5-10%2C14-15%2C22H%2C4%2C11-13H2%2C1-3H3%2C%28H2%2C21%2C23%2C24%29%2Ft15-%2Fm1%2Fs1, 58.5724983215332, 1.0, 3.0, 1.63251733779907, , 11.0, 2.0, 29.0, 12.0, 7.0, 12.0, -1.27769994735718, 11.0, 2.77999997138977, 56.0, 2.67799997329712 -InChI%3D1S%2FC16H25NO2%2Fc1-17%282%2912-14-7-4-5-10-16%2814%2C18%2913-8-6-9-15%2811-13%2919-3%2Fh6%2C8-9%2C11%2C14%2C18H%2C4-5%2C7%2C10%2C12H2%2C1-3H3%2Ft14-%2C16%3F%2Fm1%2Fs1, 48.7165985107422, 0.0, 0.0, 0.880782246589661, , 7.0, 1.0, 20.0, 6.0, 4.0, 6.0, -0.938499987125397, 4.0, 2.89000010490417, 44.0, 2.88100004196167 -InChI%3D1S%2FC6H14N2O2.ClH%2Fc1-8%282%2C3%294-5-10-6%287%299%3B%2Fh4-5H2%2C1-3H3%2C%28H-%2C7%2C9%29%3B1H, 34.0643997192383, 0.0, 2.0, 1.74874174594879, , 4.0, 1.0, 9.0, 0.0, 10.0, 0.0, -1.32239997386932, 4.0, 1.57000005245209, 26.0, 0.671000003814697 -InChI%3D1S%2FC17H28N2O%2Fc1-6-12-19%288-3%2915%287-2%2917%2820%2918-16-13%284%2910-9-11-14%2816%295%2Fh9-11%2C15H%2C6-8%2C12H2%2C1-5H3%2C%28H%2C18%2C20%29, 58.0247001647949, 0.0, 4.0, 0.901360332965851, , 9.0, 1.0, 20.0, 6.0, 12.0, 6.0, 0.949400007724762, 7.0, 3.0, 48.0, 4.67700004577637 -InChI%3D1S%2FC27H44O2%2Fc1-19-10-13-23%2828%2918-22%2819%2912-11-21-9-7-17-27%285%2924%2814-15-25%2821%2927%2920%282%298-6-16-26%283%2C4%2929%2Fh11-12%2C20%2C23-25%2C28-29H%2C1%2C6-10%2C13-18H2%2C2-5H3%2Fb21-11%2B%2C22-12%3F%2Ft20-%2C23%2B%2C24-%2C25%2B%2C27%3F%2Fm1%2Fs1, 119.433296203613, 1.0, 7.0, 1.76305282115936, , 6.0, 2.0, 31.0, 0.0, 9.0, 0.0, 1.32780003547668, 6.0, 4.21000003814697, 73.0, 7.93100023269653 -InChI%3D1S%2FC7H11NO7P2%2Fc9-7%2816%2810%2C11%2912%2C17%2813%2C14%2915%294-6-2-1-3-8-5-6%2Fh1-3%2C5%2C9H%2C4H2%2C%28H2%2C10%2C11%2C12%29%28H2%2C13%2C14%2C15%29, 32.5373001098633, 0.0, 2.0, 0.787301301956177, , 6.0, 5.0, 17.0, 6.0, 11.0, 6.0, -0.88730001449585, 4.0, 1.12999999523163, 28.0, -3.00099992752075 -InChI%3D1S%2FC46H78N2O15%2Fc1-13-35%2850%2960-34-24-36%2851%2956-27%283%2917-15-14-16-18-33%2861-37-20-19-32%2847%288%299%2928%284%2957-37%2926%282%2923-31%2821-22-49%2942%2843%2834%2955-12%2963-45-40%2852%2939%2848%2810%2911%2941%2829%285%2959-45%2962-38-25-46%287%2C54%2944%2853%2930%286%2958-38%2Fh14-16%2C18%2C22%2C26-34%2C37-45%2C52-54H%2C13%2C17%2C19-21%2C23-25H2%2C1-12H3%2Fb15-14-%2C18-16-%2Ft26%3F%2C27-%2C28-%2C29-%2C30%2B%2C31%3F%2C32%2B%2C33%2B%2C34-%2C37-%2C38%2B%2C39-%2C40-%2C41-%2C42%2B%2C43%2B%2C44%2B%2C45%3F%2C46-%2Fm1%2Fs1, 227.093399047852, 2.0, 3.0, 3.32150626182556, , 4.0, 3.0, 66.0, 0.0, 5.0, 0.0, -1.82249999046326, 14.0, 4.65000009536743, 141.0, 2.92199993133545 -InChI%3D1S%2FC3H11NO7P2%2Fc4-2-1-3%285%2C12%286%2C7%298%2913%289%2C10%2911%2Fh5H%2C1-2%2C4H2%2C%28H2%2C6%2C7%2C8%29%28H2%2C9%2C10%2C11%29, 39.9314002990723, 1.0, 3.0, 4.70542860031128, , 4.0, 6.0, 12.0, 0.0, 13.0, 0.0, -2.16919994354248, 4.0, 0.689999997615814, 24.0, -4.6560001373291 -InChI%3D1S%2FC16H14N2O4%2Fc1-7%282%298-3-4-12-9%285-8%2913%2819%2910-6-11%2816%2820%2921%2914%2817%2918-15%2810%2922-12%2Fh3-7H%2C1-2H3%2C%28H2%2C17%2C18%29%28H%2C20%2C21%29, 32.6743011474609, 0.0, 3.0, 0.696724116802216, , 19.0, 2.0, 24.0, 12.0, 3.0, 12.0, -0.834699988365173, 2.0, 2.55999994277954, 36.0, 3.35400009155273 -InChI%3D1S%2FC41H64O14%2Fc1-19-36%2847%2928%2842%2915-34%2850-19%2954-38-21%283%2952-35%2817-30%2838%2944%2955-37-20%282%2951-33%2816-29%2837%2943%2953-24-8-10-39%284%2923%2813-24%296-7-26-27%2839%2914-31%2845%2940%285%2925%289-11-41%2826%2C40%2948%2922-12-32%2846%2949-18-22%2Fh12%2C19-21%2C23-31%2C33-38%2C42-45%2C47-48H%2C6-11%2C13-18H2%2C1-5H3%2Ft19-%2C20-%2C21-%2C23-%2C24%2B%2C25-%2C26%3F%2C27%2B%2C28%2B%2C29%2B%2C30%2B%2C31-%2C33%2B%2C34%2B%2C35%2B%2C36-%2C37-%2C38-%2C39%2B%2C40%2B%2C41%3F%2Fm1%2Fs1, 184.464004516602, 2.0, 0.0, 13.5291547775269, , 5.0, 6.0, 62.0, 0.0, 0.0, 0.0, -3.67820000648499, 7.0, 4.42999982833862, 119.0, 2.17400002479553 -InChI%3D1S%2FC16H18N2%2Fc1-18-10-14%2812-6-3-2-4-7-12%2913-8-5-9-16%2817%2915%2813%2911-18%2Fh2-9%2C14H%2C10-11%2C17H2%2C1H3, 25.8141002655029, 0.0, 0.0, 0.416670262813568, , 7.0, 1.0, 20.0, 12.0, 0.0, 12.0, -0.645500004291534, 1.0, 3.0, 36.0, 4.55999994277954 -InChI%3D1S%2FC6H12N3PS%2Fc11-10%287-1-2-7%2C8-3-4-8%299-5-6-9%2Fh1-6H2, 50.7221984863281, 0.0, 0.0, 0.579273223876953, , 5.0, 0.0, 13.0, 0.0, 2.0, 0.0, -0.761099994182587, 3.0, 1.57000005245209, 23.0, 0.759999990463257 -InChI%3D1S%2FC10H12ClNO2%2Fc11-9-3-1-7%282-4-9%298%286-12%295-10%2813%2914%2Fh1-4%2C8H%2C5-6%2C12H2%2C%28H%2C13%2C14%29, 29.1212005615234, 0.0, 4.0, 0.255125999450684, , 6.0, 2.0, 14.0, 6.0, 7.0, 6.0, -0.505100011825562, 4.0, 2.11999988555908, 26.0, 1.57700002193451 -InChI%3D1S%2FC12H14N4O3S%2Fc1-8-14-11%287-12%2815-8%2919-2%2916-20%2817%2C18%2910-5-3-9%2813%294-6-10%2Fh3-7H%2C13H2%2C1-2H3%2C%28H%2C14%2C15%2C16%29, 28.5781993865967, 0.0, 0.0, 2.84563159942627, , 18.0, 2.0, 21.0, 12.0, 4.0, 12.0, -1.68690001964569, 4.0, 1.89999997615814, 34.0, 1.33299994468689 -InChI%3D1S%2FC16H15N5O7S2%2Fc1-2-6-4-29-14-10%2813%2825%2921%2814%2911%286%2915%2826%2927%2919-12%2824%299%2820-28-3-8%2822%2923%297-5-30-16%2817%2918-7%2Fh2%2C5%2C10%2C14H%2C1%2C3-4H2%2C%28H2%2C17%2C18%29%28H%2C19%2C24%29%28H%2C22%2C23%29%28H%2C26%2C27%29%2Fb20-9%2B%2Ft10-%2C14-%2Fm1%2Fs1, 105.24829864502, 0.0, 2.0, 0.00364816002547741, , 10.0, 5.0, 32.0, 0.0, 10.0, 0.0, -0.0604000017046928, 8.0, 1.67999994754791, 47.0, 0.24099999666214 -InChI%3D1S%2FC12H11N7%2Fc13-9-7%286-4-2-1-3-5-6%2916-8-10%2814%2918-12%2815%2919-11%288%2917-9%2Fh1-5H%2C%28H6%2C13%2C14%2C15%2C17%2C18%2C19%29, 40.4961013793945, 1.0, 0.0, 4.24154043197632, , 6.0, 7.0, 21.0, 6.0, 0.0, 6.0, -2.05949997901917, 1.0, 2.00999999046326, 36.0, 1.93400001525879 -InChI%3D1S%2FC16H17N5O7S2%2Fc1-6%2822%2928-3-7-4-29-14-10%2813%2824%2921%2814%2911%287%2915%2825%2926%2919-12%2823%299%2820-27-2%298-5-30-16%2817%2918-8%2Fh5%2C10%2C14H%2C3-4H2%2C1-2H3%2C%28H2%2C17%2C18%29%28H%2C19%2C23%29%28H%2C25%2C26%29%2Fb20-9-%2Ft10%3F%2C14-%2Fm1%2Fs1, 105.444801330566, 0.0, 2.0, 0.0862009599804878, , 8.0, 4.0, 32.0, 0.0, 7.0, 0.0, -0.293599992990494, 8.0, 1.67999994754791, 49.0, 0.061999998986721 -InChI%3D1S%2FC14H18Cl2N2O6S.ClH%2Fc1-25%2822%2C23%299-4-2-8%283-5-9%2912%2820%2910%287-24-11%2819%296-17%2918-14%2821%2913%2815%2916%3B%2Fh2-5%2C10%2C12-13%2C20H%2C6-7%2C17H2%2C1H3%2C%28H%2C18%2C21%29%3B1H%2Ft10-%2C12%2B%3B%2Fm0.%2Fs1, 67.2698974609375, 0.0, 3.0, 0.81703519821167, , 9.0, 3.0, 25.0, 6.0, 15.0, 6.0, -0.903900027275085, 9.0, 1.67999994754791, 45.0, 1.07000005245209 -InChI%3D1S%2FC12H11I3N2O4%2Fc1-4%2818%2916-10-7%2813%296%2812%2820%2921%298%2814%2911%289%2810%2915%2917%283%295%282%2919%2Fh1-3H3%2C%28H%2C16%2C18%29%28H%2C20%2C21%29, 81.5213012695312, 0.0, 2.0, 11.7388467788696, , 15.0, 2.0, 21.0, 6.0, 5.0, 6.0, 3.4261999130249, 4.0, 1.78999996185303, 32.0, 3.15599989891052 -InChI%3D1S%2FC8H14N2O2%2Fc1-2-6%288%289%2912%2910-5-3-4-7%2810%2911%2Fh6H%2C2-5H2%2C1H3%2C%28H2%2C9%2C12%29%2Ft6-%2Fm0%2Fs1, 40.2239990234375, 0.0, 4.0, 1.82736325263977, , 3.0, 2.0, 12.0, 0.0, 6.0, 0.0, -1.35179996490479, 3.0, 1.89999997615814, 26.0, 0.501999974250793 -InChI%3D1S%2FC11H18N2O3%2Fc1-4-6-7%283%2911%285-2%298%2814%2912-10%2816%2913-9%2811%2915%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29, 56.263801574707, 0.0, 5.0, 0.943423688411713, , 8.0, 2.0, 16.0, 0.0, 5.0, 0.0, -0.971300005912781, 4.0, 2.11999988555908, 34.0, 3.06900000572205 -InChI%3D1S%2FCH3O5P.3Na%2Fc2-1%283%297%284%2C5%296%3B%3B%3B%2Fh%28H%2C2%2C3%29%28H2%2C4%2C5%2C6%29%3B%3B%3B%2Fq%3B3%2A%2B1%2Fp-3, , 0.0, 0.0, , , 7.0, 0.0, 6.0, 0.0, 7.0, 0.0, , 1.0, 0.579999983310699, 10.0, -2.60800004005432 -InChI%3D1S%2FC8H12N2O3%2Fc1-3-8%284-2%295%2811%299-7%2813%2910-6%288%2912%2Fh3-4H2%2C1-2H3%2C%28H2%2C9%2C10%2C11%2C12%2C13%29, 44.8168983459473, 0.0, 2.0, 0.666998863220215, , 8.0, 2.0, 13.0, 0.0, 2.0, 0.0, -0.816699981689453, 2.0, 1.78999996185303, 25.0, 1.42299997806549 -InChI%3D1S%2FC11H11NO2%2Fc1-12-10%2813%297-9%2811%2812%2914%298-5-3-2-4-6-8%2Fh2-6%2C9H%2C7H2%2C1H3, 26.2504997253418, 0.0, 0.0, 0.586602807044983, , 6.0, 0.0, 15.0, 6.0, 0.0, 6.0, -0.765900015830994, 1.0, 2.33999991416931, 25.0, 2.37199997901917 -InChI%3D1S%2FC19H23ClN2%2Fc1-21%282%2912-5-13-22-18-7-4-3-6-15%2818%298-9-16-10-11-17%2820%2914-19%2816%2922%2Fh3-4%2C6-7%2C10-11%2C14H%2C5%2C8-9%2C12-13H2%2C1-2H3, 44.8717994689941, 1.0, 3.0, 0.69772607088089, , 13.0, 0.0, 24.0, 12.0, 6.0, 12.0, 0.835300028324127, 4.0, 3.22000002861023, 45.0, 5.12900018692017 -InChI%3D1S%2FC22H30N6O4S%2Fc1-5-7-17-19-20%2827%284%2925-17%2922%2829%2924-21%2823-19%2916-14-15%288-9-18%2816%2932-6-2%2933%2830%2C31%2928-12-10-26%283%2911-13-28%2Fh8-9%2C14H%2C5-7%2C10-13H2%2C1-4H3%2C%28H%2C23%2C24%2C29%29, 85.9704971313477, 0.0, 3.0, 1.86213314533234, , 11.0, 3.0, 36.0, 11.0, 3.0, 6.0, -1.36459994316101, 7.0, 2.67000007629395, 65.0, 0.970000028610229 -InChI%3D1S%2FC19H22N2O3%2Fc1-2-3-14-17%2819%2823%2924%2918%2822%2921%2816-12-8-5-9-13-16%2920-15-10-6-4-7-11-15%2Fh4-13%2C17%2C20H%2C2-3%2C14H2%2C1H3%2C%28H%2C23%2C24%29, 37.7560997009277, 1.0, 6.0, 2.91999745368958, , 16.0, 2.0, 25.0, 12.0, 12.0, 12.0, -1.70879995822906, 9.0, 3.0, 46.0, 6.76800012588501 -InChI%3D1S%2FC17H20BrNO%2Fc1-19%282%2912-13-20-17%2814-6-4-3-5-7-14%2915-8-10-16%2818%2911-9-15%2Fh3-11%2C17H%2C12-13H2%2C1-2H3, 37.331901550293, 1.0, 2.0, 0.85618007183075, , 6.0, 0.0, 21.0, 12.0, 7.0, 12.0, 0.925300002098083, 6.0, 3.0, 40.0, 5.52699995040894 -InChI%3D1S%2FC18H29NO3%2Fc1-14%282%2919-11-17%2820%2913-22-18-7-5-15%286-8-18%299-10-21-12-16-3-4-16%2Fh5-8%2C14%2C16-17%2C19-20H%2C3-4%2C9-13H2%2C1-2H3, 62.7029991149902, 1.0, 3.0, 0.462399989366531, , 7.0, 2.0, 23.0, 6.0, 9.0, 6.0, -0.680000007152557, 11.0, 3.0, 51.0, 2.7720000743866 -InChI%3D1S%2FC31H36N2O11.Na%2Fc1-14%282%297-8-16-13-17%289-11-19%2816%2934%2927%2837%2933-21-22%2835%2918-10-12-20%2815%283%2924%2818%2942-28%2821%2938%2941-29-23%2836%2925%2843-30%2832%2939%2926%2840-6%2931%284%2C5%2944-29%3B%2Fh7%2C9-13%2C23%2C25-26%2C29%2C34-36H%2C8H2%2C1-6H3%2C%28H2%2C32%2C39%29%28H%2C33%2C37%29%3B%2Fq%3B%2B1%2Fp-1%2Ft23-%2C25%2B%2C26-%2C29%3F%3B%2Fm1.%2Fs1, , 0.0, 4.0, , , 10.0, 5.0, 47.0, 12.0, 5.0, 12.0, , 10.0, 3.32999992370605, 82.0, 3.95099997520447 -InChI%3D1S%2FC12H17NO%2Fc1-10-12%2814-9-8-13%2810%292%2911-6-4-3-5-7-11%2Fh3-7%2C10%2C12H%2C8-9H2%2C1-2H3, 32.3326988220215, 0.0, 0.0, 0.00421201018616557, , 6.0, 0.0, 15.0, 6.0, 0.0, 6.0, -0.0649000033736229, 1.0, 2.55999994277954, 31.0, 3.06800007820129 -InChI%3D1S%2FC12H15N3O2S2%2Fc1-12%282%2C3%2910-13-14-11%2818-10%2915-19%2816%2C17%299-7-5-4-6-8-9%2Fh4-8H%2C1-3H3%2C%28H%2C14%2C15%29, 38.0619010925293, 0.0, 3.0, 1.46482610702515, , 15.0, 2.0, 20.0, 11.0, 4.0, 11.0, 1.21029996871948, 4.0, 2.00999999046326, 34.0, 3.32100009918213 -InChI%3D1S%2FC35H36ClNO3S%2Fc1-34%282%2C40%2930-9-4-3-7-25%2830%2913-17-32%2841-23-35%2818-19-35%2922-33%2838%2939%2927-8-5-6-24%2820-27%2910-15-29-16-12-26-11-14-28%2836%2921-31%2826%2937-29%2Fh3-12%2C14-16%2C20-21%2C32%2C40H%2C13%2C17-19%2C22-23H2%2C1-2H3%2C%28H%2C38%2C39%29, 80.0671997070312, 2.0, 3.0, 1.49352836608887, , 18.0, 2.0, 45.0, 23.0, 5.0, 22.0, 1.22210001945496, 12.0, 4.65000009536743, 77.0, 11.0950002670288 -InChI%3D1S%2FC9H13NO3%2Fc1-10-5-9%2813%296-2-3-7%2811%298%2812%294-6%2Fh2-4%2C9-13H%2C5H2%2C1H3%2Ft9-%2Fm0%2Fs1, 24.8006000518799, 0.0, 2.0, 3.01994872093201, , 8.0, 4.0, 13.0, 6.0, 5.0, 6.0, -1.73780000209808, 3.0, 2.00999999046326, 26.0, -0.0700000002980232 -InChI%3D1S%2FC12H19NO3%2Fc1-12%282%2C3%2913-7-11%2816%298-4-9%2814%296-10%2815%295-8%2Fh4-6%2C11%2C13-16H%2C7H2%2C1-3H3, 38.6044006347656, 0.0, 2.0, 0.650442242622375, , 8.0, 4.0, 16.0, 6.0, 8.0, 6.0, -0.806500017642975, 4.0, 2.33999991416931, 35.0, 0.800999999046326 -InChI%3D1S%2FC47H73NO17%2Fc1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34%2864-46-44%2858%2941%2848%2943%2857%2930%284%2963-46%2924-38-40%2845%2859%2960%2937%2854%2926-47%2861%2C65-38%2925-33%2851%2922-36%2853%2935%2852%2920-19-31%2849%2921-32%2850%2923-39%2855%2962-29%283%2928%282%2942%2827%2956%2Fh5-18%2C27-38%2C40-44%2C46%2C49-54%2C56-58%2C61H%2C19-26%2C48H2%2C1-4H3%2C%28H%2C59%2C60%29%2Fb6-5%2B%2C9-7%2B%2C10-8%2B%2C13-11%2B%2C14-12%2B%2C17-15%2B%2C18-16%2B%2Ft27-%2C28-%2C29-%2C30%2B%2C31%2B%2C32%2B%2C33-%2C34-%2C35%2B%2C36%2B%2C37-%2C38-%2C40%2B%2C41-%2C42%2B%2C43%2B%2C44%3F%2C46-%2C47%2B%2Fm0%2Fs1, 230.935302734375, 2.0, 0.0, 26.8469066619873, , 14.0, 12.0, 67.0, 0.0, 2.0, 0.0, -5.18139982223511, 3.0, 4.65000009536743, 138.0, 2.06800007820129 -InChI%3D1S%2FC15H12N2O%2Fc16-15%2818%2917-13-7-3-1-5-11%2813%299-10-12-6-2-4-8-14%2812%2917%2Fh1-10H%2C%28H2%2C16%2C18%29, 21.2961006164551, 1.0, 0.0, 0.154684886336327, , 18.0, 2.0, 20.0, 12.0, 3.0, 12.0, 0.393299996852875, 1.0, 2.77999997138977, 30.0, 6.09700012207031 -InChI%3D1S%2FC22H24N2O9.2H2O%2Fc1-21%2832%297-5-4-6-8%2825%299%287%2915%2826%2910-12%2821%2917%2828%2913-14%2824%282%293%2916%2827%2911%2820%2823%2931%2919%2830%2922%2813%2C33%2918%2810%2929%3B%3B%2Fh4-6%2C12-14%2C17%2C25%2C27-29%2C32-33H%2C1-3H3%2C%28H2%2C23%2C31%29%3B2%2A1H2%2Ft12%3F%2C13-%2C14%2B%2C17%2B%2C21-%2C22%2B%3B%3B%2Fm1..%2Fs1, 88.6361999511719, , 0.0, 11.464319229126, , 12.0, 10.0, 36.0, 6.0, 3.0, 6.0, -3.38590002059937, 2.0, 2.45000004768372, 63.0, -InChI%3D1S%2FC9H11NO4%2Fc10-6%289%2813%2914%293-5-1-2-7%2811%298%2812%294-5%2Fh1-2%2C4%2C6%2C11-12H%2C3%2C10H2%2C%28H%2C13%2C14%29%2Ft6-%2Fm0%2Fs1, 24.7588005065918, 0.0, 3.0, 4.02002477645874, , 8.0, 4.0, 14.0, 6.0, 6.0, 6.0, -2.00500011444092, 3.0, 1.89999997615814, 25.0, -2.11100006103516 -InChI%3D1S%2FC15H20N2O4S%2Fc1-11%2818%2912-7-9-14%2810-8-12%2922%2820%2C21%2917-15%2819%2916-13-5-3-2-4-6-13%2Fh7-10%2C13H%2C2-6H2%2C1H3%2C%28H2%2C16%2C17%2C19%29, 48.2519989013672, 0.0, 0.0, 5.55120706558228, , 15.0, 2.0, 23.0, 6.0, 7.0, 6.0, -2.35610008239746, 5.0, 2.33999991416931, 42.0, 2.87199997901917 -InChI%3D1S%2FC22H28N6O3S%2Fc1-15%282%2924-19-5-4-8-23-21%2819%2927-9-11-28%2812-10-27%2922%2829%2920-14-16-13-17%2826-32%283%2C30%2931%296-7-18%2816%2925-20%2Fh4-8%2C13-15%2C24-26H%2C9-12H2%2C1-3H3, 64.5218963623047, 0.0, 3.0, 3.15986180305481, , 11.0, 3.0, 35.0, 16.0, 5.0, 12.0, -1.77760004997253, 7.0, 2.77999997138977, 59.0, 2.18400001525879 -InChI%3D1S%2FC52H76O24%2Fc1-18-29%2872-34-14-30%2843%2858%2921%284%2968-34%2973-33-13-28%2854%2942%2857%2920%283%2967-33%2912-26-10-25-11-27%2849%2866-9%2948%2863%2941%2856%2919%282%2953%2950%2847%2862%2939%2825%2946%2861%2938%2826%2940%2818%2955%2976-36-16-31%2844%2859%2923%286%2970-36%2974-35-15-32%2845%2860%2922%285%2969-35%2975-37-17-52%288%2C65%2951%2864%2924%287%2971-37%2Fh10%2C12%2C19-24%2C27-28%2C30-37%2C41-45%2C49-51%2C53-61%2C64-65H%2C11%2C13-17H2%2C1-9H3%2Ft19-%2C20-%2C21-%2C22-%2C23-%2C24-%2C27%3F%2C28-%2C30-%2C31-%2C32-%2C33%2B%2C34%2B%2C35%2B%2C36%2B%2C37%2B%2C41%2B%2C42-%2C43%2B%2C44-%2C45-%2C49%2B%2C50%2B%2C51-%2C52%2B%2Fm1%2Fs1, 210.279006958008, 3.0, 5.0, 65.1329727172852, , 15.0, 11.0, 83.0, 11.0, 10.0, 10.0, -8.07050037384033, 15.0, 4.53999996185303, 152.0, -1.6139999628067 -InChI%3D1S%2FC24H29ClO4%2Fc1-12%2826%2924%2829-13%282%2927%298-6-16-14-10-20%2825%2919-11-21%2828%2915-9-18%2815%2923%2819%2C4%2917%2814%295-7-22%2816%2C24%293%2Fh10-11%2C14-18H%2C5-9H2%2C1-4H3%2Ft14%3F%2C15%3F%2C16-%2C17-%2C18-%2C22-%2C23-%2C24-%2Fm0%2Fs1, 111.438301086426, 0.0, 2.0, 1.61874723434448, , 6.0, 0.0, 33.0, 0.0, 4.0, 0.0, 1.27230000495911, 3.0, 3.54999995231628, 58.0, 3.28200006484985 -InChI%3D1S%2FC21H28O5%2Fc1-19-7-5-13%2823%299-12%2819%293-4-14-15-6-8-21%2826%2C17%2825%2911-22%2920%2815%2C2%2910-16%2824%2918%2814%2919%2Fh9%2C14-15%2C18%2C22%2C26H%2C3-8%2C10-11H2%2C1-2H3%2Ft14%3F%2C15-%2C18%2B%2C19-%2C20-%2C21-%2Fm0%2Fs1, 95.4826965332031, 0.0, 2.0, 1.02556133270264, , 4.0, 2.0, 29.0, 0.0, 4.0, 0.0, -1.01269996166229, 2.0, 3.22000002861023, 54.0, 0.140000000596046 -InChI%3D1S%2FC30H53NO11%2Fc1-3-4-9-31-29-7-5-28%286-8-29%2930%2832%2942-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-2%2Fh5-8%2C31H%2C3-4%2C9-27H2%2C1-2H3, 131.113998413086, 2.0, 4.0, 4.41168022155762, , 10.0, 1.0, 42.0, 6.0, 31.0, 6.0, -2.1003999710083, 33.0, 3.44000005722046, 95.0, 1.35399997234344 -InChI%3D1S%2FC40H48N2O6.2HI%2Fc1-41%282%2917-15-27-22-34%2844-6%2936-24-30%2827%2931%2841%2919-25-9-12-29%2813-10-25%2947-40-38-28%2823-37%2845-7%2939%2840%2946-8%2916-18-42%283%2C4%2932%2838%2920-26-11-14-33%2843-5%2935%2821-26%2948-36%3B%3B%2Fh9-14%2C21-24%2C31-32H%2C15-20H2%2C1-8H3%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2%2Ft31-%2C32%2B%3B%3B%2Fm0..%2Fs1, , 1.0, 0.0, , , 15.0, 0.0, 54.0, 24.0, 2.0, 24.0, , 4.0, 4.76000022888184, 98.0, 7.81599998474121 -InChI%3D1S%2FC11H10O2%2Fc1-7-6-10%2812%298-4-2-3-5-9%288%2911%287%2913%2Fh2-6%2C12-13H%2C1H3, 10.6312999725342, 0.0, 0.0, 0.0776179581880569, , 12.0, 2.0, 14.0, 11.0, 0.0, 10.0, -0.278600007295609, 0.0, 2.45000004768372, 23.0, 2.43600010871887 -InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29, 16.4654006958008, 0.0, 0.0, 0.28302401304245, , 10.0, 2.0, 11.0, 6.0, 4.0, 6.0, -0.532000005245209, 1.0, 2.00999999046326, 20.0, 1.66600000858307 -InChI%3D1S%2FC21H28O2%2Fc1-4-21%2823%2912-9-18-16-6-5-14-13-15%2822%297-10-19%2814%2C2%2917%2816%298-11-20%2818%2C21%293%2Fh1%2C13%2C16-18%2C23H%2C5-12H2%2C2-3H3%2Ft16%3F%2C17-%2C18-%2C19%3F%2C20%3F%2C21-%2Fm0%2Fs1, 90.1475982666016, 0.0, 2.0, 1.78356027603149, , 4.0, 1.0, 26.0, 0.0, 2.0, 0.0, 1.33550000190735, 0.0, 3.54999995231628, 51.0, 3.65599989891052 -InChI%3D1S%2FC35H38Cl2N8O4%2Fc1-3-25%282%2945-34%2846%2944%2824-40-45%2929-7-5-27%286-8-29%2941-14-16-42%2817-15-41%2928-9-11-30%2812-10-28%2947-19-31-20-48-35%2849-31%2C21-43-23-38-22-39-43%2932-13-4-26%2836%2918-33%2832%2937%2Fh4-13%2C18%2C22-25%2C31H%2C3%2C14-17%2C19-21H2%2C1-2H3%2Ft25%3F%2C31-%2C35-%2Fm0%2Fs1, 99.0497970581055, 3.0, 4.0, 0.0261468905955553, , 12.0, 3.0, 55.0, 23.0, 4.0, 18.0, -0.161699995398521, 11.0, 3.76999998092651, 89.0, 6.25299978256226 -InChI%3D1S%2FC43H58N4O12%2Fc1-21-12-11-13-22%282%2942%2855%2945-33-28%2820-44-47-17-15-46%289%2916-18-47%2937%2852%2930-31%2838%2833%2953%2936%2851%2926%286%2940-32%2830%2941%2854%2943%288%2C59-40%2957-19-14-29%2856-10%2923%283%2939%2858-27%287%2948%2925%285%2935%2850%2924%284%2934%2821%2949%2Fh11-14%2C19-21%2C23-25%2C29%2C34-35%2C39%2C49-53H%2C15-18H2%2C1-10H3%2C%28H%2C45%2C55%29%2Fb12-11%2B%2C19-14%2B%2C22-13%3F%2C44-20%2B%2Ft21%3F%2C23-%2C24-%2C25-%2C29%3F%2C34%2B%2C35-%2C39-%2C43%2B%2Fm1%2Fs1, 182.721694946289, 2.0, 0.0, 0.328443616628647, , 26.0, 6.0, 63.0, 11.0, 4.0, 10.0, -0.573099970817566, 5.0, 4.42999982833862, 117.0, 2.12199997901917 -InChI%3D1S%2FC19H21NS%2Fc1-20-11-8-15%289-12-20%2919-16-5-3-2-4-14%2816%296-7-18-17%2819%2910-13-21-18%2Fh2-5%2C10%2C13H%2C6-9%2C11-12H2%2C1H3, 51.9118003845215, 1.0, 0.0, 2.6735520362854, , 13.0, 0.0, 24.0, 11.0, 0.0, 11.0, 1.63510000705719, 0.0, 3.32999992370605, 42.0, 5.17000007629395 -InChI%3D1S%2FC8H11NO5S%2Fc1-8%282%296%287%2811%2912%299-4%2810%293-5%289%2915%288%2C13%2914%2Fh5-6H%2C3H2%2C1-2H3%2C%28H%2C11%2C12%29, 48.1198997497559, 0.0, 0.0, 0.484137654304504, , 3.0, 1.0, 16.0, 0.0, 2.0, 0.0, -0.695800006389618, 1.0, 1.57000005245209, 26.0, -1.13199996948242 -InChI%3D1S%2FC21H26ClNO%2Fc1-21%2817-7-4-3-5-8-17%2C18-10-12-19%2822%2913-11-18%2924-16-14-20-9-6-15-23%2820%292%2Fh3-5%2C7-8%2C10-13%2C20H%2C6%2C9%2C14-16H2%2C1-2H3%2Ft20-%2C21-%2Fm1%2Fs1, 45.4220008850098, 1.0, 2.0, 0.000954810006078333, , 6.0, 0.0, 26.0, 12.0, 5.0, 12.0, -0.0308999996632338, 6.0, 3.44000005722046, 50.0, 6.50699996948242 -InChI%3D1S%2FC23H23N2S2.HI%2Fc1-3-24-18-12-8-10-14-20%2818%2926-22%2824%2916-6-5-7-17-23-25%284-2%2919-13-9-11-15-21%2819%2927-23%3B%2Fh5-17H%2C3-4H2%2C1-2H3%3B1H%2Fq%2B1%3B%2Fp-1, , 1.0, 5.0, , , 13.0, 1.0, 30.0, 16.0, 5.0, 12.0, , 5.0, 3.44000005722046, 52.0, 8.15499973297119 -InChI%3D1S%2FC17H15ClN4S%2Fc1-3-11-8-13-16%2812-6-4-5-7-14%2812%2918%2919-9-15-21-20-10%282%2922%2815%2917%2813%2923-11%2Fh4-8H%2C3%2C9H2%2C1-2H3, 42.1445999145508, 0.0, 2.0, 0.713180243968964, , 18.0, 0.0, 26.0, 16.0, 2.0, 16.0, 0.844500005245209, 2.0, 2.67000007629395, 38.0, 4.81500005722046 -InChI%3D1S%2FC9H8ClN5S%2Fc10-5-1-2-6-8%2815-16-14-6%297%285%2913-9-11-3-4-12-9%2Fh1-2H%2C3-4H2%2C%28H2%2C11%2C12%2C13%29, 33.8464012145996, 0.0, 0.0, 0.44142735004425, , 13.0, 4.0, 18.0, 10.0, 0.0, 9.0, 0.664399981498718, 2.0, 1.67999994754791, 24.0, 1.56299996376038 -InChI%3D1S%2FC62H86N12O16%2Fc1-27%282%2942-59%2884%2973-23-17-19-36%2873%2957%2882%2969%2813%2925-38%2875%2971%2815%2948%2829%285%296%2961%2886%2988-33%2811%2944%2855%2880%2965-42%2967-53%2878%2935-22-21-31%289%2951-46%2835%2964-47-40%2841%2863%2950%2877%2932%2810%2952%2847%2990-51%2954%2879%2968-45-34%2812%2989-62%2887%2949%2830%287%298%2972%2816%2939%2876%2926-70%2814%2958%2883%2937-20-18-24-74%2837%2960%2885%2943%2828%283%294%2966-56%2845%2981%2Fh21-22%2C27-30%2C33-34%2C36-37%2C42-45%2C48-49H%2C17-20%2C23-26%2C63H2%2C1-16H3%2C%28H%2C65%2C80%29%28H%2C66%2C81%29%28H%2C67%2C78%29%28H%2C68%2C79%29%2Ft33-%2C34-%2C36-%2C37-%2C42%2B%2C43%2B%2C44%3F%2C45%3F%2C48-%2C49-%2Fm0%2Fs1, 289.450012207031, 2.0, 0.0, 29.7897644042969, , 11.0, 6.0, 96.0, 6.0, 3.0, 6.0, -5.45800018310547, 8.0, 5.19999980926514, 182.0, 1.51999998092651 -InChI%3D1S%2FC13H21N3O%2Fc1-3-16%284-2%2910-9-15-13%2817%2911-5-7-12%2814%298-6-11%2Fh5-8H%2C3-4%2C9-10%2C14H2%2C1-2H3%2C%28H%2C15%2C17%29, 43.9669990539551, 0.0, 2.0, 0.413320422172546, , 10.0, 2.0, 17.0, 6.0, 10.0, 6.0, -0.642899990081787, 7.0, 2.45000004768372, 38.0, 1.49199998378754 -InChI%3D1S%2FC21H26NO3.BrH%2Fc1-4-22%283%2C5-2%2914-15-24-21%2823%2920-16-10-6-8-12-18%2816%2925-19-13-9-7-11-17%2819%2920%3B%2Fh6-13%2C20H%2C4-5%2C14-15H2%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1, , 1.0, 2.0, , , 13.0, 0.0, 27.0, 12.0, 11.0, 12.0, , 7.0, 3.22000002861023, 52.0, 5.36299991607666 -InChI%3D1S%2FC25H48N6O8%2Fc1-21%2832%2929%2837%2918-9-3-6-16-27-22%2833%2912-14-25%2836%2931%2839%2920-10-4-7-17-28-23%2834%2911-13-24%2835%2930%2838%2919-8-2-5-15-26%2Fh37-39H%2C2-20%2C26H2%2C1H3%2C%28H%2C27%2C33%29%28H%2C28%2C34%29, 128.918395996094, 2.0, 5.0, 49.2818031311035, , 4.0, 6.0, 38.0, 0.0, 39.0, 0.0, -7.02010011672974, 26.0, 2.67000007629395, 87.0, -1.32000005245209 -InChI%3D1S%2FC5H4N4S%2Fc10-5-3-4%287-1-6-3%298-2-9-5%2Fh1-2H%2C%28H2%2C6%2C7%2C8%2C9%2C10%29, 8.69159984588623, 0.0, 0.0, 0.26112100481987, , 8.0, 2.0, 11.0, 10.0, 0.0, 6.0, 0.510999977588654, 0.0, 1.46000003814697, 13.0, 0.36599999666214 -InChI%3D1S%2FC13H21N5O4.C6H5NO2%2Fc1-15%284-5-19%296-9%2820%297-18-8-14-11-10%2818%2912%2821%2917%283%2913%2822%2916%2811%292%3B8-6%289%295-2-1-3-7-4-5%2Fh8-9%2C19-20H%2C4-7H2%2C1-3H3%3B1-4H%2C%28H%2C8%2C9%29, 72.3654022216797, , 3.0, 2.50367331504822, , 9.0, 3.0, 32.0, 11.0, 9.0, 6.0, -1.58229994773865, 7.0, 2.23000001907349, 57.0, -InChI%3D1S%2FC31H46O2%2Fc1-22%282%2912-9-13-23%283%2914-10-15-24%284%2916-11-17-25%285%2920-21-27-26%286%2930%2832%2928-18-7-8-19-29%2828%2931%2827%2933%2Fh7-8%2C18-20%2C22-24H%2C9-17%2C21H2%2C1-6H3%2Fb25-20%2B%2Ft23-%2C24-%2Fm1%2Fs1, 110.625297546387, 2.0, 16.0, 7.52130603790283, , 12.0, 0.0, 34.0, 6.0, 20.0, 6.0, 2.7425000667572, 14.0, 4.65000009536743, 79.0, 12.0109996795654 -InChI%3D1S%2FC21H43N5O7%2Fc1-9%2825-3%2913-6-5-10%2822%2919%2831-13%2932-16-11%2823%297-12%2824%2917%2814%2816%2927%2933-20-15%2828%2918%2826-4%2921%282%2C29%298-30-20%2Fh9-20%2C25-29H%2C5-8%2C22-24H2%2C1-4H3%2Ft9%3F%2C10-%2C11%2B%2C12-%2C13%2B%2C14%2B%2C15-%2C16%3F%2C17%3F%2C18-%2C19%3F%2C20%3F%2C21%3F%2Fm1%2Fs1, 112.545097351074, 2.0, 0.0, 33.2848243713379, , 0.0, 8.0, 35.0, 0.0, 4.0, 0.0, -5.76929998397827, 7.0, 2.45000004768372, 76.0, -2.88000011444092 -InChI%3D1S%2FC9H13NO2%2Fc1-2-9%2812-8%2810%2911%296-4-3-5-7-9%2Fh1H%2C3-7H2%2C%28H2%2C10%2C11%29, 37.5332984924316, 0.0, 2.0, 0.355692952871323, , 4.0, 2.0, 12.0, 0.0, 4.0, 0.0, 0.596400022506714, 2.0, 2.11999988555908, 25.0, 2.34599995613098 -InChI%3D1S%2FC22H29FO5%2Fc1-12-8-16-15-5-4-13-9-14%2825%296-7-19%2813%2C2%2921%2815%2C23%2917%2826%2910-20%2816%2C3%2922%2812%2C28%2918%2827%2911-24%2Fh6-7%2C9%2C12%2C15-17%2C24%2C26%2C28H%2C4-5%2C8%2C10-11H2%2C1-3H3%2Ft12-%2C15%2B%2C16%3F%2C17%2B%2C19%2B%2C20%2B%2C21%3F%2C22%2B%2Fm1%2Fs1, 101.295303344727, 0.0, 2.0, 0.891135990619659, , 6.0, 3.0, 31.0, 0.0, 4.0, 0.0, -0.944000005722046, 2.0, 3.22000002861023, 57.0, 1.13800001144409 -InChI%3D1S%2FC3H8O3%2Fc4-1-3%286%292-5%2Fh3-6H%2C1-2H2, 20.5160999298096, 0.0, 3.0, 1.98274564743042, , 0.0, 3.0, 5.0, 0.0, 6.0, 0.0, -1.40810000896454, 2.0, 1.46000003814697, 14.0, -1.87999999523163 -InChI%3D1S%2FC20H25N3O2%2Fc1-3-14%2811-24%2922-20%2825%2913-7-16-15-5-4-6-17-19%2815%2912%289-21-17%298-18%2816%2923%282%2910-13%2Fh4-7%2C9%2C13-14%2C18%2C21%2C24H%2C3%2C8%2C10-11H2%2C1-2H3%2C%28H%2C22%2C25%29%2Ft13-%2C14%2B%2C18-%2Fm1%2Fs1, 62.1582984924316, 0.0, 4.0, 0.439436405897141, , 9.0, 3.0, 28.0, 10.0, 8.0, 6.0, -0.662899971008301, 4.0, 3.10999989509583, 49.0, 1.82599997520447 -InChI%3D1S%2FC19H21NO4%2Fc1-2-8-20-9-7-18-15-11-3-4-12%2821%2916%2815%2924-17%2818%2913%2822%295-6-19%2818%2C23%2914%2820%2910-11%2Fh2-4%2C14%2C17%2C21%2C23H%2C1%2C5-10H2%2Ft14-%2C17%2B%2C18%2B%2C19-%2Fm1%2Fs1, 64.5262985229492, 0.0, 3.0, 0.719782531261444, , 8.0, 2.0, 28.0, 6.0, 3.0, 6.0, -0.848399996757507, 2.0, 3.0, 45.0, 0.611999988555908 -InChI%3D1S%2FC19H24N2S%2Fc1-4-20%285-2%2915%283%2914-21-16-10-6-8-12-18%2816%2922-19-13-9-7-11-17%2819%2921%2Fh6-13%2C15H%2C4-5%2C14H2%2C1-3H3, 47.5792999267578, 1.0, 3.0, 1.78195798397064, , 13.0, 0.0, 24.0, 12.0, 8.0, 12.0, 1.33490002155304, 5.0, 3.22000002861023, 46.0, 5.30900001525879 -InChI%3D1S%2FC18H18ClNS%2Fc1-20%282%2911-5-7-14-15-6-3-4-8-17%2815%2921-18-10-9-13%2819%2912-16%2814%2918%2Fh3-4%2C6-10%2C12H%2C5%2C11H2%2C1-2H3, 44.4227981567383, 0.0, 3.0, 2.39785218238831, , 14.0, 0.0, 23.0, 12.0, 6.0, 12.0, 1.54849994182587, 3.0, 3.10999989509583, 39.0, 4.95599985122681 -InChI%3D1S%2FC11H13N3O3S%2Fc1-7-8%282%2913-17-11%287%2914-18%2815%2C16%2910-5-3-9%2812%294-6-10%2Fh3-6%2C14H%2C12H2%2C1-2H3, 28.217399597168, 0.0, 0.0, 0.576080977916718, , 11.0, 3.0, 19.0, 11.0, 4.0, 6.0, -0.75900000333786, 3.0, 1.89999997615814, 31.0, 1.45799994468689 -InChI%3D1S%2FC14H14N8O4S3%2Fc1-6-17-18-14%2829-6%2928-4-7-3-27-12-9%2811%2824%2922%2812%2910%287%2913%2825%2926%2916-8%2823%292-21-5-15-19-20-21%2Fh5%2C9%2C12H%2C2-4H2%2C1H3%2C%28H%2C16%2C23%29%28H%2C25%2C26%29%2Ft9%3F%2C12-%2Fm1%2Fs1, 84.2273025512695, 1.0, 2.0, 0.252003997564316, , 8.0, 2.0, 32.0, 10.0, 4.0, 5.0, 0.501999974250793, 7.0, 1.35000002384186, 43.0, -0.851000010967255 -InChI%3D1S%2FC15H17N5O6S2%2Fc1-25-3-6-4-27-13-9%2812%2822%2920%2813%2910%286%2914%2823%2924%2918-11%2821%298%2819-26-2%297-5-28-15%2816%2917-7%2Fh5%2C9%2C13H%2C3-4H2%2C1-2H3%2C%28H2%2C16%2C17%29%28H%2C18%2C21%29%28H%2C23%2C24%29%2Fb19-8%2B%2Ft9-%2C13-%2Fm1%2Fs1, 101.044502258301, 0.0, 2.0, 0.0698016434907913, , 8.0, 4.0, 30.0, 0.0, 7.0, 0.0, -0.264200001955032, 7.0, 1.67999994754791, 47.0, -0.158999994397163 -InChI%3D1S%2FC32H53N2O4.BrH%2Fc1-5-14-34%2815-6-7-16-34%2928-20-26-24-9-8-23-19-29%2836%2927%2833-12-17-37-18-13-33%2921-32%2823%2C4%2925%2824%2910-11-31%2826%2C3%2930%2828%2938-22%282%2935%3B%2Fh5%2C23-30%2C36H%2C1%2C6-21H2%2C2-4H3%3B1H%2Fq%2B1%3B%2Fp-1%2Ft23-%2C24%3F%2C25-%2C26%3F%2C27-%2C28%3F%2C29-%2C30-%2C31-%2C32-%3B%2Fm0.%2Fs1, , 1.0, 3.0, , , 3.0, 1.0, 43.0, 0.0, 4.0, 0.0, , 6.0, 4.21000003814697, 92.0, 5.88000011444092 -InChI%3D1S%2FC13H12N8O4S3%2Fc22-7%281-20-4-14-18-19-20%2916-8-10%2823%2921-9%2812%2824%2925%296%282-26-11%288%2921%293-27-13-17-15-5-28-13%2Fh4-5%2C8%2C11H%2C1-3H2%2C%28H%2C16%2C22%29%28H%2C24%2C25%29%2Ft8%3F%2C11-%2Fm1%2Fs1, 78.3285980224609, 1.0, 2.0, 0.203130483627319, , 8.0, 2.0, 31.0, 10.0, 4.0, 5.0, 0.450700014829636, 7.0, 1.24000000953674, 40.0, -1.34800004959106 -InChI%3D1S%2FC8H17NO%2Fc1-3-5-7%286-4-2%298%289%2910%2Fh7H%2C3-6H2%2C1-2H3%2C%28H2%2C9%2C10%29, 38.622200012207, 0.0, 7.0, 0.0355322510004044, , 3.0, 2.0, 9.0, 0.0, 10.0, 0.0, -0.188500002026558, 5.0, 2.11999988555908, 27.0, 3.14800000190735 -InChI%3D1S%2FC17H23NO2%2Fc1-4-20-16%2819%2917%2814-10-6-5-7-11-14%2913-9-8-12-15%2817%2918%282%293%2Fh5-8%2C10-12%2C15H%2C4%2C9%2C13H2%2C1-3H3%2Ft15-%2C17%3F%2Fm1%2Fs1, 56.2277984619141, 0.0, 2.0, 0.714025020599365, , 6.0, 0.0, 21.0, 6.0, 5.0, 6.0, 0.845000028610229, 5.0, 3.0, 43.0, 4.54500007629395 -InChI%3D1S%2FC20H27NO3%2Fc1-18-7-6-14-12%2813%2818%293-4-15%2818%2922%295-8-20-17%2824-20%2916%2823%2911%2810-21%299-19%2814%2C20%292%2Fh12-15%2C17%2C22-23H%2C3-9H2%2C1-2H3%2Ft12-%2C13-%2C14%3F%2C15-%2C17%2B%2C18%3F%2C19%2B%2C20%2B%2Fm0%2Fs1, 86.5641021728516, 0.0, 0.0, 0.0276889596134424, , 5.0, 2.0, 28.0, 0.0, 2.0, 0.0, 0.166400000452995, 0.0, 3.22000002861023, 51.0, 2.64400005340576 -InChI%3D1S%2FC20H26N2%2Fc1-16%2814-21%282%293%2915-22-19-10-6-4-8-17%2819%2912-13-18-9-5-7-11-20%2818%2922%2Fh4-11%2C16H%2C12-15H2%2C1-3H3, 44.8799018859863, 1.0, 3.0, 0.262553751468658, , 13.0, 0.0, 24.0, 12.0, 7.0, 12.0, 0.512399971485138, 4.0, 3.44000005722046, 48.0, 5.54099988937378 -InChI%3D1S%2FC22H22FN3O3%2Fc23-17-7-5-15%286-8-17%2920%2827%2916-9-11-25%2812-10-16%2913-14-26-21%2828%2918-3-1-2-4-19%2818%2924-22%2826%2929%2Fh1-8%2C16H%2C9-14H2%2C%28H%2C24%2C29%29, 54.1040992736816, 0.0, 2.0, 1.54330933094025, , 10.0, 2.0, 32.0, 12.0, 2.0, 12.0, -1.24230003356934, 5.0, 3.10999989509583, 53.0, 3.03399991989136 -InChI%3D1S%2FC20H14I6N2O6%2Fc21-7-5-9%2823%2917%2815%2825%2913%287%2919%2831%2932%2927-11%2829%293-1-2-4-12%2830%2928-18-10%2824%296-8%2822%2914%2816%2818%2926%2920%2833%2934%2Fh5-6H%2C1-4H2%2C%28H%2C27%2C29%29%28H%2C28%2C30%29%28H%2C31%2C32%29%28H%2C33%2C34%29, 129.990203857422, 1.0, 6.0, 54.3375396728516, , 12.0, 4.0, 35.0, 12.0, 10.0, 12.0, 7.37139987945557, 9.0, 2.11999988555908, 48.0, 7.7020001411438 -InChI%3D1S%2FC10H14N5O7P%2Fc11-8-5-9%2813-2-12-8%2915%283-14-5%2910-7%2817%296%2816%294%2822-10%291-21-23%2818%2C19%2920%2Fh2-4%2C6-7%2C10%2C16-17H%2C1H2%2C%28H2%2C11%2C12%2C13%29%28H2%2C18%2C19%2C20%29%2Ft4%3F%2C6-%2C7%3F%2C10-%2Fm1%2Fs1, 44.8157005310059, 1.0, 0.0, 4.9057822227478, , 9.0, 6.0, 25.0, 10.0, 6.0, 6.0, -2.21490001678467, 4.0, 1.12999999523163, 37.0, -3.46700000762939 -InChI%3D1S%2FC14H17N5O3%2Fc1-2-18-8-10%2813%2821%2922%2911%2820%299-7-16-14%2817-12%289%2918%2919-5-3-15-4-6-19%2Fh7-8%2C15H%2C2-6H2%2C1H3%2C%28H%2C21%2C22%29, 58.834400177002, 0.0, 2.0, 0.398918569087982, , 10.0, 2.0, 24.0, 6.0, 2.0, 6.0, -0.631600022315979, 3.0, 2.11999988555908, 41.0, -0.797999978065491 -InChI%3D1S%2FC14H30N2O4.2ClH%2Fc1-15%282%2C3%299-11-19-13%2817%297-8-14%2818%2920-12-10-16%284%2C5%296%3B%3B%2Fh7-12H2%2C1-6H3%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2, , 1.0, 4.0, , , 3.0, 0.0, 19.0, 0.0, 20.0, 0.0, , 11.0, 2.11999988555908, 52.0, 0.280000001192093 -InChI%3D1S%2FC16H19N3O5S%2Fc1-24-9-7-25-15-11%2814%2821%2919%2815%2912%289%2916%2822%2923%2918-13%2820%2910%2817%298-5-3-2-4-6-8%2Fh2-3%2C6%2C10-11%2C15H%2C4-5%2C7%2C17H2%2C1H3%2C%28H%2C18%2C20%29%28H%2C22%2C23%29%2Ft10-%2C11-%2C15-%2Fm1%2Fs1, 95.0149993896484, 0.0, 2.0, 0.409472018480301, , 9.0, 3.0, 27.0, 0.0, 5.0, 0.0, -0.639900028705597, 5.0, 2.23000001907349, 44.0, -2.65499997138977 -InChI%3D1S%2FC27H30O6%2Fc1-19%282%2913-15-31-22-8-5-21%286-9-22%297-12-25%2828%2924-11-10-23%2832-16-14-20%283%294%2917-26%2824%2933-18-27%2829%2930%2Fh5-14%2C17H%2C15-16%2C18H2%2C1-4H3%2C%28H%2C29%2C30%29, 81.8579025268555, 2.0, 4.0, 5.424241065979, , 19.0, 1.0, 34.0, 12.0, 6.0, 12.0, 2.3289999961853, 12.0, 3.76999998092651, 63.0, 5.67600011825562 -InChI%3D1S%2FC28H31NO5%2Fc1-18-6-10-20%2811-7-18%2926%2831%2933-24-15-14-22%2823%2830%2917-29-28%283%2C4%295%2916-25%2824%2934-27%2832%2921-12-8-19%282%299-13-21%2Fh6-16%2C23%2C29-30H%2C17H2%2C1-5H3, 57.062801361084, 1.0, 2.0, 1.47841286659241, , 24.0, 2.0, 36.0, 18.0, 8.0, 18.0, 1.21589994430542, 10.0, 3.88000011444092, 65.0, 8.41899967193604 -InChI%3D1S%2FC17H19N5%2Fc1-16%282%2C9-18%2914-5-13%288-22-12-20-11-21-22%296-15%287-14%2917%283%2C4%2910-19%2Fh5-7%2C11-12H%2C8H2%2C1-4H3, 47.2568016052246, 0.0, 3.0, 3.69639086723328, , 6.0, 2.0, 23.0, 11.0, 5.0, 6.0, 1.92260003089905, 4.0, 2.77999997138977, 41.0, 1.88499999046326 -InChI%3D1S%2FC7H13BrN2O2%2Fc1-3-7%288%2C4-2%295%2811%2910-6%289%2912%2Fh3-4H2%2C1-2H3%2C%28H3%2C9%2C10%2C11%2C12%29, 45.2765998840332, 0.0, 5.0, 0.0257602501660585, , 6.0, 3.0, 11.0, 0.0, 12.0, 0.0, -0.160500004887581, 4.0, 1.67999994754791, 25.0, 1.60300004482269 -InChI%3D1S%2FC20H30O%2Fc1-16%288-6-9-17%282%2913-15-21%2911-12-19-18%283%2910-7-14-20%2819%2C4%295%2Fh6%2C8-9%2C11-13%2C21H%2C7%2C10%2C14-15H2%2C1-5H3, 96.7628021240234, 1.0, 9.0, 14.3254680633545, , 10.0, 1.0, 21.0, 0.0, 12.0, 0.0, 3.78489995002747, 5.0, 3.54999995231628, 51.0, 6.15799999237061 -InChI%3D1S%2FC21H27NO%2Fc23-21%2819-11-4-1-5-12-19%2C20-13-6-2-7-14-20%2915-10-18-22-16-8-3-9-17-22%2Fh1-2%2C4-7%2C11-14%2C23H%2C3%2C8-10%2C15-18H2, 38.0004005432129, 1.0, 4.0, 2.5395610332489, , 6.0, 1.0, 25.0, 12.0, 5.0, 12.0, -1.59360003471375, 6.0, 3.54999995231628, 50.0, 6.7810001373291 -InChI%3D1S%2FC22H26NO3.BrH%2Fc1-23-14-12-17%2813-15-23%2920%2816-23%2926-21%2824%2922%2825%2C18-8-4-2-5-9-18%2919-10-6-3-7-11-19%3B%2Fh2-11%2C17%2C20%2C25H%2C12-16H2%2C1H3%3B1H%2Fq%2B1%3B%2Fp-1, , 1.0, 2.0, , , 6.0, 1.0, 29.0, 12.0, 5.0, 12.0, , 5.0, 3.32999992370605, 53.0, 5.88700008392334 -InChI%3D1S%2FC21H26N2S2%2Fc1-22-13-6-5-7-16%2822%2912-14-23-18-8-3-4-9-20%2818%2925-21-11-10-17%2824-2%2915-19%2821%2923%2Fh3-4%2C8-11%2C15-16H%2C5-7%2C12-14H2%2C1-2H3, 57.2450981140137, 1.0, 2.0, 0.0542889982461929, , 13.0, 0.0, 28.0, 12.0, 2.0, 12.0, 0.232999995350838, 4.0, 3.32999992370605, 51.0, 5.62900018692017 -InChI%3D1S%2FC10H12ClN3O3S%2Fc1-2-9-13-7-4-6%2811%298%2818%2812%2C16%2917%293-5%287%2910%2815%2914-9%2Fh3-4%2C9%2C13H%2C2H2%2C1H3%2C%28H%2C14%2C15%29%28H2%2C12%2C16%2C17%29, 40.5528984069824, 0.0, 2.0, 1.83277440071106, , 14.0, 2.0, 19.0, 6.0, 3.0, 6.0, -1.35380005836487, 2.0, 1.67999994754791, 30.0, 0.592000007629395 -InChI%3D1S%2FC15H23N3O3S%2Fc1-15%282%2911%2814%2820%2921%2918-12%2819%2910%2813%2818%2922-15%2916-9-17-7-5-3-4-6-8-17%2Fh9-11%2C13H%2C3-8H2%2C1-2H3%2C%28H%2C20%2C21%29%2Fb16-9%2B%2Ft10-%2C11%2B%2C13-%2Fm1%2Fs1, 77.1671981811523, 0.0, 0.0, 2.39073443412781, , 3.0, 1.0, 24.0, 0.0, 2.0, 0.0, -1.54620003700256, 3.0, 2.33999991416931, 45.0, 1.43499994277954 -InChI%3D1S%2FC20H30O2%2Fc1-3-20%2822%2911-9-18-17-6-4-13-12-14%2821%295-7-15%2813%2916%2817%298-10-19%2818%2C20%292%2Fh12%2C15-18%2C22H%2C3-11H2%2C1-2H3%2Ft15-%2C16%2B%2C17%3F%2C18-%2C19-%2C20-%2Fm0%2Fs1, 85.4602966308594, 0.0, 2.0, 0.00262143998406827, , 4.0, 1.0, 25.0, 0.0, 2.0, 0.0, -0.0511999987065792, 1.0, 3.44000005722046, 52.0, 3.99799990653992 -InChI%3D1S%2FC16H22FNO%2Fc1-13-8-11-18%2812-9-13%2910-2-3-16%2819%2914-4-6-15%2817%297-5-14%2Fh4-7%2C13H%2C2-3%2C8-12H2%2C1H3, 45.0723991394043, 0.0, 4.0, 0.186537608504295, , 8.0, 0.0, 20.0, 6.0, 5.0, 6.0, -0.43189999461174, 5.0, 2.89000010490417, 41.0, 3.67000007629395 -InChI%3D1S%2FC7H6ClN3O4S2%2Fc8-4-1-5-7%282-6%284%2916%289%2C12%2913%2917%2814%2C15%2911-3-10-5%2Fh1-3H%2C%28H%2C10%2C11%29%28H2%2C9%2C12%2C13%29, 35.4497985839844, 0.0, 0.0, 1.35233640670776, , 16.0, 2.0, 18.0, 6.0, 3.0, 6.0, -1.1628999710083, 1.0, 1.12999999523163, 23.0, -0.725000023841858 -InChI%3D1S%2FC18H23N9O4S3%2Fc1-25%282%293-4-26-18%2822-23-24-26%2934-7-9-6-32-15-12%2814%2829%2927%2815%2913%289%2916%2830%2931%2921-11%2828%295-10-8-33-17%2819%2920-10%2Fh8%2C12%2C15H%2C3-7H2%2C1-2H3%2C%28H2%2C19%2C20%29%28H%2C21%2C28%29%28H%2C30%2C31%29%2Ft12-%2C15-%2Fm1%2Fs1, 118.841400146484, 1.0, 2.0, 0.867319703102112, , 8.0, 7.0, 37.0, 5.0, 5.0, 0.0, 0.931299984455109, 10.0, 1.67999994754791, 59.0, -0.474000006914139 -InChI%3D1S%2FC10H17NO2%2Fc1-4-10%285-2%298%2812%297%283%296-11-9%2810%2913%2Fh7H%2C4-6H2%2C1-3H3%2C%28H%2C11%2C13%29, 51.0233993530273, 0.0, 2.0, 0.00036864000139758, , 3.0, 1.0, 13.0, 0.0, 2.0, 0.0, -0.0192000009119511, 2.0, 2.23000001907349, 30.0, 1.56900000572205 -InChI%3D1S%2FC20H24N2O2%2Fc1-3-13-12-22-9-7-14%2813%2910-19%2822%2920%2823%2916-6-8-21-18-5-4-15%2824-2%2911-17%2816%2918%2Fh3-6%2C8%2C11%2C13-14%2C19-20%2C23H%2C1%2C7%2C9-10%2C12H2%2C2H3%2Ft13-%2C14%3F%2C19%2B%2C20-%2Fm0%2Fs1, 52.1147994995117, 0.0, 2.0, 0.263784974813461, , 11.0, 1.0, 27.0, 11.0, 2.0, 10.0, -0.513599991798401, 4.0, 3.22000002861023, 48.0, 2.66199994087219 -InChI%3D1S%2FC32H40BrN5O5%2Fc1-16%282%2912-24-29%2840%2937-11-7-10-25%2837%2932%2842%2938%2824%2930%2841%2931%2843-32%2C17%283%294%2935-28%2839%2918-13-20-19-8-6-9-22-26%2819%2921%2827%2833%2934-22%2914-23%2820%2936%285%2915-18%2Fh6%2C8-9%2C13%2C16-18%2C23-25%2C34%2C42H%2C7%2C10-12%2C14-15H2%2C1-5H3%2C%28H%2C35%2C39%29%2Ft18-%2C23-%2C24%2B%2C25%2B%2C31-%2C32%3F%2Fm1%2Fs1, 126.259002685547, 0.0, 3.0, 0.235322013497353, , 9.0, 3.0, 49.0, 10.0, 4.0, 6.0, 0.485100001096725, 5.0, 3.76999998092651, 82.0, 3.7590000629425 -InChI%3D1S%2FC18H14N4O5S%2Fc23-16-9-6-13%2811-15%2816%2918%2824%2925%2921-20-12-4-7-14%288-5-12%2928%2826%2C27%2922-17-3-1-2-10-19-17%2Fh1-11%2C23H%2C%28H%2C19%2C22%29%28H%2C24%2C25%29, 20.925500869751, 0.0, 0.0, 2.67845964431763, , 28.0, 3.0, 30.0, 18.0, 4.0, 18.0, -1.63660001754761, 6.0, 2.33999991416931, 42.0, 4.29099988937378 -InChI%3D1S%2FC5H7N5S%2Fc6-5-9-3-2%284%2811%2910-5%297-1-8-3%2Fh1-2%2C4%2C11H%2C%28H3%2C6%2C7%2C8%2C9%2C10%29, 39.9412002563477, 0.0, 0.0, 0.395766824483871, , 8.0, 3.0, 12.0, 0.0, 0.0, 0.0, -0.629100024700165, 0.0, 1.35000002384186, 18.0, -0.379999995231628 -InChI%3D1S%2FC22H29FO5%2Fc1-12-8-16-15-5-4-13-9-14%2825%296-7-19%2813%2C2%2921%2815%2C23%2917%2826%2910-20%2816%2C3%2922%2812%2C28%2918%2827%2911-24%2Fh6-7%2C9%2C12%2C15-17%2C24%2C26%2C28H%2C4-5%2C8%2C10-11H2%2C1-3H3%2Ft12-%2C15-%2C16%3F%2C17-%2C19-%2C20-%2C21%3F%2C22-%2Fm0%2Fs1, 101.295303344727, 0.0, 2.0, 0.891135990619659, , 6.0, 3.0, 31.0, 0.0, 4.0, 0.0, -0.944000005722046, 2.0, 3.22000002861023, 57.0, 1.13800001144409 -InChI%3D1S%2FC18H19N3O3S.C4H4O4%2Fc1-21%2816-4-2-3-9-19-16%2910-11-24-14-7-5-13%286-8-14%2912-15-17%2822%2920-18%2823%2925-15%3B5-3%286%291-2-4%287%298%2Fh2-9%2C15H%2C10-12H2%2C1H3%2C%28H%2C20%2C22%2C23%29%3B1-2H%2C%28H%2C5%2C6%29%28H%2C7%2C8%29%2Fb%3B2-1-, 73.4458999633789, , 4.0, 0.00602175993844867, , 8.0, 3.0, 34.0, 12.0, 8.0, 12.0, -0.0776000022888184, 9.0, 2.67000007629395, 56.0, -InChI%3D1S%2FC16H38N2.2BrH%2Fc1-17%282%2C3%2915-13-11-9-7-8-10-12-14-16-18%284%2C5%296%3B%3B%2Fh7-16H2%2C1-6H3%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2, , 1.0, 10.0, , , 0.0, 0.0, 17.0, 0.0, 18.0, 0.0, , 11.0, 2.77999997138977, 58.0, 4.94199991226196 -InChI%3D1S%2FC19H18ClN3O5S%2Fc1-8-11%2812%2822-28-8%299-6-4-5-7-10%289%2920%2915%2824%2921-13-16%2825%2923-14%2818%2826%2927%2919%282%2C3%2929-17%2813%2923%2Fh4-7%2C13-14%2C17H%2C1-3H3%2C%28H%2C21%2C24%29%28H%2C26%2C27%29%2Ft13-%2C14%2B%2C17-%2Fm0%2Fs1, 67.4889984130859, 0.0, 0.0, 1.15820646286011, , 6.0, 3.0, 32.0, 11.0, 3.0, 6.0, 1.07620000839233, 4.0, 2.45000004768372, 47.0, 2.75699996948242 -InChI%3D1S%2FC21H31N5O2%2Fc27-18-16-21%286-1-2-7-21%2917-19%2828%2926%2818%2911-4-3-10-24-12-14-25%2815-13-24%2920-22-8-5-9-23-20%2Fh5%2C8-9H%2C1-4%2C6-7%2C10-17H2, 79.5483016967773, 0.0, 4.0, 3.95890617370605, , 7.0, 0.0, 31.0, 6.0, 4.0, 6.0, -1.98969995975494, 6.0, 3.0, 59.0, 2.15400004386902 -InChI%3D1S%2FC16H19ClN2%2Fc1-19%282%2912-10-15%2816-5-3-4-11-18-16%2913-6-8-14%2817%299-7-13%2Fh3-9%2C11%2C15H%2C10%2C12H2%2C1-2H3, 31.1037006378174, 0.0, 3.0, 0.424321949481964, , 6.0, 0.0, 20.0, 12.0, 6.0, 12.0, 0.651400029659271, 5.0, 2.89000010490417, 38.0, 4.28800010681152 -InChI%3D1S%2FC17H20F6N2O3%2Fc18-16%2819%2C20%299-27-12-4-5-14%2828-10-17%2821%2C22%2923%2913%287-12%2915%2826%2925-8-11-3-1-2-6-24-11%2Fh4-5%2C7%2C11%2C24H%2C1-3%2C6%2C8-10H2%2C%28H%2C25%2C26%29, 58.6785011291504, 0.0, 2.0, 0.0863184407353401, , 11.0, 2.0, 29.0, 6.0, 6.0, 6.0, 0.293799996376038, 9.0, 2.11999988555908, 48.0, 4.71799993515015 -InChI%3D1S%2FC22H23F4NO2%2Fc23-19-8-6-16%287-9-19%2920%2828%295-2-12-27-13-10-21%2829%2C11-14-27%2917-3-1-4-18%2815-17%2922%2824%2C25%2926%2Fh1%2C3-4%2C6-9%2C15%2C29H%2C2%2C5%2C10-14H2, 47.839298248291, 1.0, 4.0, 0.0451137609779835, , 8.0, 1.0, 31.0, 12.0, 5.0, 12.0, -0.212400004267693, 7.0, 3.10999989509583, 52.0, 5.72599983215332 -InChI%3D1S%2FC19H21N3O5%2Fc1-9%282%2926-19%2824%2915-11%284%2920-10%283%2914%2818%2823%2925-5%2916%2815%2912-7-6-8-13-17%2812%2922-27-21-13%2Fh6-9%2C16%2C20H%2C1-5H3, 70.3593978881836, 0.0, 0.0, 4.09599997510668e-05, , 11.0, 3.0, 29.0, 10.0, 6.0, 6.0, -0.0063999998383224, 6.0, 2.67000007629395, 48.0, 3.70300006866455 -InChI%3D1S%2FC12H14N4O3S%2Fc1-2-16-8-7-11%2814-12%2816%2917%2915-20%2818%2C19%2910-5-3-9%2813%294-6-10%2Fh3-8H%2C2%2C13H2%2C1H3%2C%28H%2C14%2C15%2C17%29, 46.0980987548828, 0.0, 2.0, 4.43355131149292, , 11.0, 3.0, 21.0, 6.0, 4.0, 6.0, -2.10560011863708, 4.0, 1.89999997615814, 38.0, 1.125 -InChI%3D1S%2FC18H19ClN4%2Fc1-22-8-10-23%2811-9-22%2918-14-4-2-3-5-15%2814%2920-16-7-6-13%2819%2912-17%2816%2921-18%2Fh2-7%2C12%2C20H%2C8-11H2%2C1H3, 45.0577011108398, 0.0, 0.0, 8.46399998408742e-05, , 16.0, 1.0, 26.0, 12.0, 0.0, 12.0, 0.00920000020414591, 1.0, 2.89000010490417, 42.0, 4.32299995422363 -InChI%3D1S%2FC20H26O2%2Fc1-3-20%2822%2911-9-18-17-6-4-13-12-14%2821%295-7-15%2813%2916%2817%298-10-19%2818%2C20%292%2Fh1%2C16-18%2C22H%2C4-12H2%2C2H3%2Ft16-%2C17%3F%2C18%2B%2C19%2B%2C20%2B%2Fm1%2Fs1, 85.42919921875, 0.0, 2.0, 1.01848459243774, , 2.0, 1.0, 25.0, 0.0, 2.0, 0.0, 1.00919997692108, 0.0, 3.44000005722046, 48.0, 2.48000001907349 -InChI%3D1S%2FC4H3IN2OS%2Fc5-2-1-6-4%289%297-3%282%298%2Fh1H%2C%28H2%2C6%2C7%2C8%2C9%29, 25.2024002075195, 0.0, 0.0, 2.16325259208679, , 7.0, 1.0, 9.0, 6.0, 0.0, 6.0, 1.4708000421524, 0.0, 1.35000002384186, 12.0, 1.06299996376038 -InChI%3D1S%2FC22H31NO%2Fc1-16%282%2923%2817%283%294%2914-13-20%2819-9-7-6-8-10-19%2921-15-18%285%2911-12-22%2821%2924%2Fh6-12%2C15-17%2C20%2C24H%2C13-14H2%2C1-5H3, 52.7588005065918, 1.0, 3.0, 0.0116640003398061, , 7.0, 1.0, 25.0, 12.0, 10.0, 12.0, -0.108000002801418, 7.0, 3.66000008583069, 55.0, 7.80600023269653 -InChI%3D1S%2FC23H31NO2%2Fc1-6-22%2826-19%283%2925%2923%2817-18%282%2924%284%295%2C20-13-9-7-10-14-20%2921-15-11-8-12-16-21%2Fh7-16%2C18%2C22H%2C6%2C17H2%2C1-5H3%2Ft18-%2C22-%2Fm0%2Fs1, 54.9981994628906, 1.0, 7.0, 0.208848997950554, , 6.0, 0.0, 27.0, 12.0, 14.0, 12.0, -0.456999987363815, 9.0, 3.66000008583069, 57.0, 8.5939998626709 -InChI%3D1S%2FC16H21NO2%2Fc1-12%282%2917-10-14%2818%2911-19-16-9-5-7-13-6-3-4-8-15%2813%2916%2Fh3-9%2C12%2C14%2C17-18H%2C10-11H2%2C1-2H3, 35.5013008117676, 0.0, 3.0, 1.01969599723816, , 11.0, 2.0, 20.0, 11.0, 9.0, 10.0, -1.00979995727539, 6.0, 2.89000010490417, 40.0, 4.05299997329712 -InChI%3D1S%2FC25H27ClN2%2Fc1-20-6-5-7-21%2818-20%2919-27-14-16-28%2817-15-27%2925%2822-8-3-2-4-9-22%2923-10-12-24%2826%2913-11-23%2Fh2-13%2C18%2C25H%2C14-17%2C19H2%2C1H3, 43.8726005554199, 1.0, 0.0, 2.01725220680237, , 6.0, 0.0, 31.0, 18.0, 0.0, 18.0, 1.42030000686646, 5.0, 3.88000011444092, 55.0, 8.25300025939941 -InChI%3D1S%2FC10H17N%2Fc11-10-4-7-1-8%285-10%293-9%282-7%296-10%2Fh7-9H%2C1-6%2C11H2, 44.1259002685547, 0.0, 0.0, 2.4922935962677, , 0.0, 1.0, 13.0, 0.0, 0.0, 0.0, -1.5786999464035, 0.0, 2.45000004768372, 28.0, 2.31200003623962 -InChI%3D1S%2FC17H21NO%2Fc1-18%282%2912-13-19-17-11-7-6-10-16%2817%2914-15-8-4-3-5-9-15%2Fh3-11H%2C12-14H2%2C1-2H3, 29.9358997344971, 1.0, 2.0, 0.294957607984543, , 7.0, 0.0, 20.0, 12.0, 6.0, 12.0, 0.543099999427795, 6.0, 3.10999989509583, 40.0, 6.00400018692017 -InChI%3D1S%2FC4H3FN2O2%2Fc5-2-1-6-4%289%297-3%282%298%2Fh1H%2C%28H2%2C6%2C7%2C8%2C9%29, 6.00169992446899, 0.0, 0.0, 0.194392815232277, , 8.0, 2.0, 9.0, 6.0, 0.0, 6.0, -0.4408999979496, 0.0, 1.35000002384186, 12.0, -0.503000020980835 -InChI%3D1S%2FC12H21NO8S%2Fc1-10%282%2918-7-5-16-12%286-17-22%2813%2C14%2915%299%288%287%2919-10%2920-11%283%2C4%2921-12%2Fh7-9H%2C5-6H2%2C1-4H3%2C%28H2%2C13%2C14%2C15%29%2Ft7-%2C8%3F%2C9%2B%2C12%3F%2Fm1%2Fs1, 70.7020034790039, 0.0, 0.0, 2.36359882354736, , 5.0, 1.0, 24.0, 0.0, 6.0, 0.0, -1.53740000724792, 3.0, 1.67999994754791, 43.0, -1.2039999961853 -InChI%3D1S%2FC10H17N3O6S%2Fc11-5%2810%2818%2919%291-2-7%2814%2913-6%284-20%299%2817%2912-3-8%2815%2916%2Fh5-6%2C20H%2C1-4%2C11H2%2C%28H%2C12%2C17%29%28H%2C13%2C14%29%28H%2C15%2C16%29%28H%2C18%2C19%29%2Ft5-%2C6-%2Fm0%2Fs1, 67.6856994628906, 0.0, 5.0, 2.68730449676514, , 3.0, 5.0, 19.0, 0.0, 20.0, 0.0, -1.63929998874664, 9.0, 1.46000003814697, 37.0, -3.9779999256134 -InChI%3D1S%2FC17H14ClFN2O3%2Fc18-10-5-6-14-12%289-10%2915%2811-3-1-2-4-13%2811%2919%2920-16%2823%2917%2824%2921%2814%297-8-22%2Fh1-6%2C9%2C16%2C22-23H%2C7-8H2, 38.2821006774902, 0.0, 2.0, 0.0762864425778389, , 17.0, 2.0, 26.0, 12.0, 3.0, 12.0, -0.276199996471405, 3.0, 2.55999994277954, 38.0, 2.74799990653992 -InChI%3D1S%2FC11H18N2O2S%2Fc1-4-6-7%283%2911%285-2%298%2814%2912-10%2816%2913-9%2811%2915%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29, 64.2546997070312, 0.0, 5.0, 0.00521284015849233, , 8.0, 2.0, 16.0, 0.0, 5.0, 0.0, -0.0722000002861023, 4.0, 2.11999988555908, 34.0, 2.61400008201599 -InChI%3D1S%2FC9H11FN2O5%2Fc1-3-5%2813%296%2814%298%2817-3%2912-2-4%2810%297%2815%2911-9%2812%2916%2Fh2-3%2C5-6%2C8%2C13-14H%2C1H3%2C%28H%2C11%2C15%2C16%29%2Ft3%3F%2C5-%2C6-%2C8%3F%2Fm1%2Fs1, 50.6855010986328, 0.0, 0.0, 2.42518329620361, , 4.0, 4.0, 18.0, 0.0, 0.0, 0.0, -1.55729997158051, 1.0, 1.57000005245209, 32.0, -1.432000041008 -InChI%3D1S%2FC17H18F3NO%2Fc1-21-12-11-16%2813-5-3-2-4-6-13%2922-15-9-7-14%288-10-15%2917%2818%2C19%2920%2Fh2-10%2C16%2C21H%2C11-12H2%2C1H3, 28.0720996856689, 1.0, 3.0, 0.0894608125090599, , 7.0, 1.0, 23.0, 12.0, 6.0, 12.0, 0.299100011587143, 7.0, 2.77999997138977, 40.0, 6.38299989700317 -InChI%3D1S%2FC8H10N4O2%2Fc1-10-4-9-6-5%2810%297%2813%2912%283%298%2814%2911%286%292%2Fh4H%2C1-3H3, 34.872200012207, 0.0, 0.0, 0.185847207903862, , 6.0, 1.0, 15.0, 5.0, 0.0, 0.0, -0.431100010871887, 0.0, 1.67999994754791, 24.0, -0.625 -InChI%3D1S%2FC27H36O7%2Fc1-6-23%2832%2934-27%2822%2831%2914-33-16%283%2928%2910-8-19-18-11-15%282%2920-12-17%2829%297-9-25%2820%2C4%2924%2818%2921%2830%2913-26%2819%2C27%295%2Fh7%2C9%2C12%2C15%2C18-19%2C21%2C24%2C30H%2C6%2C8%2C10-11%2C13-14H2%2C1-5H3%2Ft15-%2C18-%2C19%3F%2C21%2B%2C24%3F%2C25-%2C26-%2C27-%2Fm0%2Fs1, 124.605598449707, 0.0, 3.0, 0.0211702492088079, , 6.0, 1.0, 37.0, 0.0, 7.0, 0.0, -0.145500004291534, 7.0, 3.66000008583069, 70.0, 2.8289999961853 -InChI%3D1S%2FC6H12F2N2O2%2Fc7-4%288%296%2810%2C5%2811%2912%292-1-3-9%2Fh4H%2C1-3%2C9-10H2%2C%28H%2C11%2C12%29, 35.5870018005371, 0.0, 5.0, 2.07792234420776, , 3.0, 3.0, 11.0, 0.0, 12.0, 0.0, -1.44149994850159, 5.0, 1.46000003814697, 24.0, -2.71099996566772 -InChI%3D1S%2FC28H28N2O2%2Fc29-22-28%2824-12-6-2-7-13-24%2C25-14-8-3-9-15-25%2918-21-30-19-16-27%2817-20-30%2C26%2831%2932%2923-10-4-1-5-11-23%2Fh1-15H%2C16-21H2%2C%28H%2C31%2C32%29, 49.048900604248, 1.0, 4.0, 0.0168740097433329, , 6.0, 1.0, 35.0, 18.0, 5.0, 18.0, -0.129899993538857, 7.0, 4.09999990463257, 60.0, 9.4040002822876 -InChI%3D1S%2FC23H28N2O3%2Fc1-16-13-19-20%2825-16%2911-8-12-21%2819%2927-15-18%2814-24-23%282%2C3%294%2928-22%2826%2917-9-6-5-7-10-17%2Fh5-13%2C18%2C24-25H%2C14-15H2%2C1-4H3, 49.2661018371582, 1.0, 3.0, 0.608868062496185, , 9.0, 2.0, 30.0, 16.0, 12.0, 12.0, 0.78030002117157, 9.0, 3.44000005722046, 55.0, 6.13199996948242 -InChI%3D1S%2FC25H32N2O2%2Fc1-21%2820-26-16-18-29-19-17-26%2925%2822-10-4-2-5-11-22%2C23-12-6-3-7-13-23%2924%2828%2927-14-8-9-15-27%2Fh2-7%2C10-13%2C21H%2C8-9%2C14-20H2%2C1H3, 61.9230003356934, 1.0, 4.0, 2.27074766159058, , 6.0, 0.0, 32.0, 12.0, 6.0, 12.0, -1.50689995288849, 7.0, 3.76999998092651, 61.0, 6.60400009155273 -InChI%3D1S%2FC22H27ClO3%2Fc1-11%2824%2922%2826%297-5-14-12-9-18%2823%2917-10-19%2825%2913-8-16%2813%2921%2817%2C3%2915%2812%294-6-20%2814%2C22%292%2Fh9-10%2C12-16%2C26H%2C4-8H2%2C1-3H3%2Ft12%3F%2C13%3F%2C14-%2C15-%2C16-%2C20-%2C21-%2C22-%2Fm0%2Fs1, 102.286796569824, 0.0, 0.0, 0.797806262969971, , 6.0, 1.0, 30.0, 0.0, 2.0, 0.0, 0.893199980258942, 1.0, 3.44000005722046, 53.0, 2.54200005531311 -InChI%3D1S%2FC15H10O2%2Fc16-14-11-8-4-5-9-12%2811%2915%2817%2913%2814%2910-6-2-1-3-7-10%2Fh1-9%2C13H, 14.3135995864868, 0.0, 0.0, 0.45198729634285, , 10.0, 0.0, 19.0, 12.0, 0.0, 12.0, -0.672299981117249, 1.0, 2.89000010490417, 27.0, 4.62400007247925 -InChI%3D1S%2FC4H11NO%2Fc1-5%282%293-4-6%2Fh6H%2C3-4H2%2C1-2H3, 26.2803993225098, 0.0, 2.0, 0.0480924881994724, , 0.0, 1.0, 5.0, 0.0, 6.0, 0.0, -0.219300001859665, 2.0, 1.67999994754791, 17.0, -0.646000027656555 -InChI%3D1S%2FC9H9Cl2NO2%2Fc1-12%289%2814%298%2810%2911%296-2-4-7%2813%295-3-6%2Fh2-5%2C8%2C13H%2C1H3, 31.1030006408691, 0.0, 2.0, 0.0450288392603397, , 10.0, 1.0, 14.0, 6.0, 7.0, 6.0, 0.212200000882149, 3.0, 1.89999997615814, 23.0, 1.87199997901917 -InChI%3D1S%2FC17H20ClNO%2Fc1-19%282%2913-12-17%2820%2C14-8-4-3-5-9-14%2915-10-6-7-11-16%2815%2918%2Fh3-11%2C20H%2C12-13H2%2C1-2H3, 32.3983993530273, 1.0, 3.0, 0.00354025000706315, , 6.0, 1.0, 21.0, 12.0, 7.0, 12.0, -0.0595000013709068, 5.0, 3.0, 40.0, 5.23299980163574 -InChI%3D1S%2FC12H19N2O2%2Fc1-13%282%2912%2815%2916-11-8-6-7-10%289-11%2914%283%2C4%295%2Fh6-9H%2C1-5H3%2Fq%2B1, 37.2762985229492, 0.0, 0.0, 1.03306901454926, , 11.0, 0.0, 16.0, 6.0, 6.0, 6.0, -1.01639997959137, 4.0, 2.33999991416931, 35.0, 1.76300001144409 -InChI%3D1S%2FC7H10N2O2S%2Fc1-3-11-7%2810%299-5-4-8%282%296%289%2912%2Fh4-5H%2C3H2%2C1-2H3, 49.3378982543945, 0.0, 2.0, 1.38509356975555, , 7.0, 0.0, 12.0, 0.0, 5.0, 0.0, 1.17690002918243, 3.0, 1.67999994754791, 24.0, 0.941999971866608 -InChI%3D1S%2FC7H9ClO%2Fc1-3-7%289%2C4-2%295-6-8%2Fh1%2C5-6%2C9H%2C4H2%2C2H3, 36.3908996582031, 0.0, 5.0, 0.297352075576782, , 2.0, 1.0, 8.0, 0.0, 9.0, 0.0, 0.545300006866455, 2.0, 2.00999999046326, 18.0, 1.83000004291534 -InChI%3D1S%2FC5H8N4O12%2Fc10-6%2811%2918-1-5%282-19-7%2812%2913%2C3-20-8%2814%2915%294-21-9%2816%2917%2Fh1-4H2, 38.4132995605469, 1.0, 3.0, 0.144552037119865, , 4.0, 0.0, 20.0, 0.0, 21.0, 0.0, -0.380199998617172, 12.0, 0.25, 29.0, 1.3860000371933 -InChI%3D1S%2FC26H34FNO5%2Fc1-15%282%2925-21%2811-10-19%2829%2912-20%2830%2913-23%2831%2932%2924%2817-6-8-18%2827%299-7-17%2922%2814-33-5%2926%2828-25%2916%283%294%2Fh6-11%2C15-16%2C19-20%2C29-30H%2C12-14H2%2C1-5H3%2C%28H%2C31%2C32%29%2Fb11-10%2B%2Ft19-%2C20-%2Fm1%2Fs1, 78.3598022460938, 1.0, 7.0, 0.29019770026207, , 14.0, 3.0, 34.0, 12.0, 11.0, 12.0, 0.538699984550476, 11.0, 3.54999995231628, 67.0, 4.41200017929077 -InChI%3D1S%2FC16H18N4O2%2Fc21-15%2818-12-13-4-2-1-3-5-13%298-11-19-20-16%2822%2914-6-9-17-10-7-14%2Fh1-7%2C9-10%2C19H%2C8%2C11-12H2%2C%28H%2C18%2C21%29%28H%2C20%2C22%29, 33.0046997070312, 0.0, 3.0, 1.69780898094177, , 10.0, 3.0, 23.0, 12.0, 10.0, 12.0, -1.30299997329712, 8.0, 2.55999994277954, 40.0, 3.45900011062622 -InChI%3D1S%2FC17H17N7O8S4%2Fc1-23-16%2820-21-22-23%2934-4-5-3-33-15-17%2832-2%2C14%2831%2924%2815%297%285%2911%2829%2930%2919-9%2826%2913-35-12%2836-13%296%288%2818%2925%2910%2827%2928%2Fh13%2C15H%2C3-4H2%2C1-2H3%2C%28H2%2C18%2C25%29%28H%2C19%2C26%29%28H%2C27%2C28%29%28H%2C29%2C30%29%2Ft13%3F%2C15%3F%2C17-%2Fm0%2Fs1, 118.54630279541, 1.0, 3.0, 1.03063106536865, , 8.0, 4.0, 39.0, 5.0, 7.0, 5.0, 1.01520001888275, 9.0, 1.24000000953674, 53.0, -1.76699995994568 -InChI%3D1S%2FC14H16N2O6S3.2Na%2Fc17-23%2818%299-15-11-1-5-13%286-2-11%2925%2821%2C22%2914-7-3-12%284-8-14%2916-10-24%2819%2920%3B%3B%2Fh1-8%2C15-16H%2C9-10H2%2C%28H%2C17%2C18%29%28H%2C19%2C20%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2, , 0.0, 0.0, , , 17.0, 2.0, 26.0, 12.0, 5.0, 12.0, , 8.0, 1.57000005245209, 41.0, -2.67899990081787 -InChI%3D1S%2FC5H9NO3S%2Fc1-3%2810%295%289%296-2-4%287%298%2Fh3%2C10H%2C2H2%2C1H3%2C%28H%2C6%2C9%29%28H%2C7%2C8%29, 38.1707992553711, 0.0, 3.0, 0.0139239998534322, , 3.0, 2.0, 9.0, 0.0, 10.0, 0.0, -0.118000000715256, 3.0, 1.46000003814697, 19.0, -0.398999989032745 -InChI%3D1S%2FC11H15NO5%2Fc1-15-9-4-2-3-5-10%289%2916-6-8%2813%297-17-11%2812%2914%2Fh2-5%2C8%2C13H%2C6-7H2%2C1H3%2C%28H2%2C12%2C14%29, 34.1495018005371, 0.0, 3.0, 0.0502656400203705, , 8.0, 3.0, 17.0, 6.0, 9.0, 6.0, -0.224199995398521, 7.0, 2.00999999046326, 32.0, 1.52300000190735 -InChI%3D1S%2FC9H5ClINO%2Fc10-6-4-7%2811%299%2813%298-5%286%292-1-3-12-8%2Fh1-4%2C13H, 22.1263999938965, 0.0, 0.0, 2.9039568901062, , 11.0, 1.0, 14.0, 11.0, 0.0, 10.0, 1.70410001277924, 0.0, 2.00999999046326, 18.0, 2.58400011062622 -InChI%3D1S%2FC22H26N2O4S%2Fc1-15%2825%2928-20-21%2816-9-11-17%2827-4%2912-10-16%2929-19-8-6-5-7-18%2819%2924%2822%2820%2926%2914-13-23%282%293%2Fh5-12%2C20-21H%2C13-14H2%2C1-4H3%2Ft20-%2C21%3F%2Fm1%2Fs1, 64.7033996582031, 0.0, 2.0, 0.0206496901810169, , 9.0, 0.0, 31.0, 12.0, 5.0, 12.0, -0.143700003623962, 7.0, 3.10999989509583, 55.0, 3.64000010490417 -InChI%3D1S%2FC16H20N4O2.2H2O%2Fc1-5-6-11-14%2821%2919-13-9-10%282%297-8-12%2813%2917-16%2818%283%294%2920%2819%2915%2811%2922%3B%3B%2Fh7-9%2C11H%2C5-6H2%2C1-4H3%3B2%2A1H2, 58.2481002807617, , 3.0, 0.0564537607133389, , 13.0, 3.0, 24.0, 6.0, 3.0, 6.0, -0.23759999871254, 3.0, 2.33999991416931, 50.0, -InChI%3D1S%2FC15H17NS2%2Fc1-16-8-2-5-12%2811-16%2915%2813-6-3-9-17-13%2914-7-4-10-18-14%2Fh3-4%2C6-7%2C9-10H%2C2%2C5%2C8%2C11H2%2C1H3, 49.2615013122559, 0.0, 0.0, 1.37100684642792, , 12.0, 0.0, 20.0, 10.0, 0.0, 10.0, 1.17089998722076, 2.0, 2.77999997138977, 35.0, 3.54299998283386 -InChI%3D1S%2FC14H18N4O3%2Fc1-19-10-5-8%286-11%2820-2%2912%2810%2921-3%294-9-7-17-14%2816%2918-13%289%2915%2Fh5-7H%2C4H2%2C1-3H3%2C%28H4%2C15%2C16%2C17%2C18%29, 52.4341011047363, 0.0, 0.0, 0.161684408783913, , 9.0, 4.0, 22.0, 6.0, 2.0, 6.0, -0.402099996805191, 5.0, 2.23000001907349, 41.0, 1.72599995136261 -InChI%3D1S%2FC16H15F2N3O4S%2Fc1-23-13-5-6-19-12%2814%2813%2924-2%298-26%2822%2916-20-10-4-3-9%2825-15%2817%2918%297-11%2810%2921-16%2Fh3-7%2C15H%2C8H2%2C1-2H3%2C%28H%2C20%2C21%29, 35.8306007385254, 0.0, 0.0, 0.0246176104992628, , 9.0, 2.0, 28.0, 16.0, 4.0, 12.0, 0.156900003552437, 7.0, 2.11999988555908, 40.0, 1.14400005340576 -InChI%3D1S%2FC22H24N2O8%2Fc1-21%2831%298-5-4-6-11%2825%2912%288%2916%2826%2913-9%2821%297-10-15%2824%282%293%2917%2827%2914%2820%2823%2930%2919%2829%2922%2810%2C32%2918%2813%2928%2Fh4-6%2C9-10%2C15%2C25%2C27-28%2C31-32H%2C7H2%2C1-3H3%2C%28H2%2C23%2C30%29%2Ft9-%2C10-%2C15%3F%2C21%2B%2C22%3F%2Fm0%2Fs1, 87.5391006469727, 1.0, 0.0, 7.91184377670288, , 12.0, 7.0, 35.0, 6.0, 3.0, 6.0, -2.81279993057251, 2.0, 2.77999997138977, 56.0, 0.834999978542328 -InChI%3D1S%2FC16H17N9O5S3%2Fc1-24-16%2820-22-23-24%2933-4-6-3-31-13-9%2812%2827%2925%2813%2910%286%2914%2828%2929%2919-11%2826%298%2821-30-2%297-5-32-15%2817%2918-7%2Fh5%2C9%2C13H%2C3-4H2%2C1-2H3%2C%28H2%2C17%2C18%29%28H%2C19%2C26%29%28H%2C28%2C29%29%2Fb21-8%2B%2Ft9%3F%2C13-%2Fm1%2Fs1, 110.116897583008, 1.0, 2.0, 0.243739694356918, , 8.0, 4.0, 36.0, 5.0, 7.0, 5.0, 0.493699997663498, 8.0, 1.35000002384186, 52.0, 0.0729999989271164 -InChI%3D1S%2FC11H13N%2Fc1-3-9-12%282%2910-11-7-5-4-6-8-11%2Fh1%2C4-8H%2C9-10H2%2C2H3, 25.7833003997803, 0.0, 3.0, 0.816492974758148, , 6.0, 0.0, 12.0, 6.0, 6.0, 6.0, 0.903599977493286, 3.0, 2.55999994277954, 25.0, 3.23900008201599 -InChI%3D1S%2FC15H19N5%2Fc1-19%282%296-5-13-8-17-15-4-3-12%287-14%2813%2915%299-20-11-16-10-18-20%2Fh3-4%2C7-8%2C10-11%2C17H%2C5-6%2C9H2%2C1-2H3, 31.0655994415283, 0.0, 2.0, 0.259896039962769, , 7.0, 3.0, 22.0, 15.0, 5.0, 6.0, 0.509800016880035, 5.0, 2.55999994277954, 38.0, 1.46099996566772 -InChI%3D1S%2FC26H27NO9%2Fc1-10-21%2829%2915%2827%297-17%2835-10%2936-16-9-26%2834%2C11%282%2928%298-14-18%2816%2925%2833%2920-19%2824%2814%2932%2922%2830%2912-5-3-4-6-13%2812%2923%2820%2931%2Fh3-6%2C10%2C15-17%2C21%2C29%2C32-34H%2C7-9%2C27H2%2C1-2H3%2Ft10-%2C15-%2C16-%2C17-%2C21%3F%2C26-%2Fm0%2Fs1, 76.2698974609375, 0.0, 0.0, 13.6530246734619, , 18.0, 5.0, 40.0, 12.0, 2.0, 12.0, -3.6949999332428, 3.0, 3.22000002861023, 63.0, -0.204999998211861 -InChI%3D1S%2FC12H14N4O4S%2Fc1-19-11-7-10%2814-12%2815-11%2920-2%2916-21%2817%2C18%299-5-3-8%2813%294-6-9%2Fh3-7H%2C13H2%2C1-2H3%2C%28H%2C14%2C15%2C16%29, 29.9953002929688, 0.0, 0.0, 3.20409989356995, , 19.0, 2.0, 22.0, 12.0, 4.0, 12.0, -1.78999996185303, 5.0, 1.78999996185303, 35.0, 0.851999998092651 -InChI%3D1S%2FC9H16ClN3O7%2Fc10-1-2-13%2812-19%299%2818%2911-5-7%2816%296%2815%294%283-14%2920-8%285%2917%2Fh4-8%2C14-17H%2C1-3H2%2C%28H%2C11%2C18%29%2Ft4-%2C5%3F%2C6-%2C7-%2C8%3F%2Fm1%2Fs1, 65.4400024414062, 0.0, 2.0, 1.15498006343842, , 6.0, 5.0, 20.0, 0.0, 9.0, 0.0, -1.07469999790192, 6.0, 1.24000000953674, 36.0, -1.57200002670288 -InChI%3D1S%2FC21H27N3O2%2Fc1-4-15%2812-25%2922-21%2826%2914-8-17-16-6-5-7-18-20%2816%2913%2810-23%2818%292%299-19%2817%2924%283%2911-14%2Fh5-8%2C10%2C14-15%2C19%2C25H%2C4%2C9%2C11-12H2%2C1-3H3%2C%28H%2C22%2C26%29%2Ft14-%2C15%2B%2C19-%2Fm1%2Fs1, 70.7529983520508, 0.0, 4.0, 0.299646764993668, , 9.0, 2.0, 29.0, 10.0, 8.0, 6.0, -0.547399997711182, 4.0, 3.22000002861023, 53.0, 1.95299994945526 -InChI%3D1S%2FC18H23NO3%2Fc1-19-8-7-18-11-4-5-13%2820%2917%2818%2922-16-14%2821-2%296-3-10%2815%2816%2918%299-12%2811%2919%2Fh3%2C6%2C11-13%2C17%2C20H%2C4-5%2C7-9H2%2C1-2H3%2Ft11-%2C12%3F%2C13%3F%2C17-%2C18%3F%2Fm0%2Fs1, 57.1040000915527, 0.0, 0.0, 1.16769635677338, , 8.0, 1.0, 26.0, 6.0, 2.0, 6.0, -1.08060002326965, 1.0, 3.0, 45.0, 1.56900000572205 -InChI%3D1S%2FC22H22FN3O2%2Fc23-17-9-7-16%288-10-17%2921%2827%296-3-13-25-14-11-18%2812-15-25%2926-20-5-2-1-4-19%2820%2924-22%2826%2928%2Fh1-2%2C4-5%2C7-11H%2C3%2C6%2C12-15H2%2C%28H%2C24%2C28%29, 48.7344017028809, 0.0, 4.0, 0.49477156996727, , 10.0, 2.0, 31.0, 16.0, 5.0, 12.0, -0.703400015830994, 6.0, 3.22000002861023, 50.0, 4.56799983978271 -InChI%3D1S%2FC5H9Cl2N3O2%2Fc6-1-3-8-5%2811%2910%289-12%294-2-7%2Fh1-4H2%2C%28H%2C8%2C11%29, 47.0278015136719, 0.0, 2.0, 2.66930246353149, , 6.0, 1.0, 11.0, 0.0, 12.0, 0.0, 1.63380002975464, 6.0, 1.24000000953674, 21.0, 1.18299996852875 -InChI%3D1S%2FC29H40NO4.BrH%2Fc1-3-4-18-33-26-14-10-22%2811-15-26%2916-17-30%282%2924-12-13-25%2830%2920-27%2819-24%2934-29%2832%2928%2821-31%2923-8-6-5-7-9-23%3B%2Fh5-11%2C14-15%2C24-25%2C27-28%2C31H%2C3-4%2C12-13%2C16-21H2%2C1-2H3%3B1H%2Fq%2B1%3B%2Fp-1%2Ft24-%2C25-%2C27-%2C28-%2C30%3F%3B%2Fm1.%2Fs1, , 2.0, 4.0, , , 7.0, 1.0, 37.0, 12.0, 6.0, 12.0, , 12.0, 3.99000000953674, 75.0, 7.73600006103516 -InChI%3D1S%2FC19H21NO3%2Fc1-2-8-20-9-7-19-12-4-6-15%2822%2918%2819%2923-17-14%2821%295-3-11%2816%2817%2919%2910-13%2812%2920%2Fh2-6%2C12-13%2C15%2C18%2C21-22H%2C1%2C7-10H2%2Ft12-%2C13%2B%2C15%3F%2C18-%2C19%3F%2Fm0%2Fs1, 65.2407989501953, 0.0, 3.0, 0.0100600896403193, , 8.0, 2.0, 27.0, 6.0, 3.0, 6.0, -0.100299999117851, 2.0, 3.10999989509583, 44.0, 1.41100001335144 -InChI%3D1S%2FC9H16ClN3O2%2Fc10-6-7-13%2812-15%299%2814%2911-8-4-2-1-3-5-8%2Fh8H%2C1-7H2%2C%28H%2C11%2C14%29, 50.0371017456055, 0.0, 2.0, 0.26214399933815, , 6.0, 1.0, 15.0, 0.0, 9.0, 0.0, -0.512000024318695, 5.0, 1.78999996185303, 31.0, 2.31200003623962 -InChI%3D1S%2FC42H53NO15%2Fc1-8-42%2851%2917-28%2833-22%2835%2842%2941%2850%2952-7%2914-23-34%2838%2833%2949%2937%2848%2932-21%2836%2823%2947%2910-9-11-26%2832%2945%2956-30-15-24%2843%285%296%2939%2819%283%2954-30%2958-31-16-27%2846%2940%2820%284%2955-31%2957-29-13-12-25%2844%2918%282%2953-29%2Fh9-11%2C14%2C18-20%2C24%2C27-31%2C35%2C39-40%2C45-46%2C49%2C51H%2C8%2C12-13%2C15-17H2%2C1-7H3%2Ft18-%2C19-%2C20-%2C24-%2C27-%2C28-%2C29-%2C30-%2C31-%2C35-%2C39%2B%2C40%2B%2C42%2B%2Fm0%2Fs1, 149.098205566406, 1.0, 0.0, 20.4982566833496, , 18.0, 4.0, 64.0, 12.0, 4.0, 12.0, -4.52750015258789, 10.0, 4.32000017166138, 111.0, 1.1710000038147 -InChI%3D1S%2FC51H79NO13%2Fc1-30-16-12-11-13-17-31%282%2942%2861-8%2928-38-21-19-36%287%2951%2860%2C65-38%2948%2857%2949%2858%2952-23-15-14-18-39%2852%2950%2859%2964-43%2833%284%2926-37-20-22-40%2853%2944%2827-37%2962-9%2929-41%2854%2932%283%2925-35%286%2946%2856%2947%2863-10%2945%2855%2934%285%2924-30%2Fh11-13%2C16-17%2C25%2C30%2C32-34%2C36-40%2C42-44%2C46-47%2C53%2C56%2C60H%2C14-15%2C18-24%2C26-29H2%2C1-10H3%2Fb13-11%2B%2C16-12%2B%2C31-17%3F%2C35-25%2B%2Ft30-%2C32-%2C33-%2C34-%2C36-%2C37%2B%2C38%2B%2C39%2B%2C40-%2C42%2B%2C43%2B%2C44%3F%2C46-%2C47%2B%2C51%3F%2Fm1%2Fs1, 237.137603759766, 1.0, 3.0, 1.3146915435791, , 6.0, 3.0, 68.0, 0.0, 3.0, 0.0, -1.14660000801086, 6.0, 5.53000020980835, 144.0, 4.32100009918213 -InChI%3D1S%2FC14H19Cl2NO2%2Fc15-8-10-17%2811-9-16%2913-6-4-12%285-7-13%292-1-3-14%2818%2919%2Fh4-7H%2C1-3%2C8-11H2%2C%28H%2C18%2C19%29, 52.5234985351562, 0.0, 4.0, 1.24902975559235, , 7.0, 1.0, 19.0, 6.0, 7.0, 6.0, 1.11759996414185, 9.0, 2.45000004768372, 38.0, 4.29199981689453 -InChI%3D1S%2FC40H71NO14%2Fc1-15-27-40%2811%2C48%2933%2844%2922%285%2930%2843%2920%283%2918-38%289%2C47%2935%2855-37-32%2853-28%2842%2916-2%2926%2841%2812%2913%2917-21%284%2950-37%2923%286%2931%2824%287%2936%2846%2952-27%2954-29-19-39%2810%2C49-14%2934%2845%2925%288%2951-29%2Fh20-27%2C29%2C31-35%2C37%2C44-45%2C47-48H%2C15-19H2%2C1-14H3%2Ft20-%2C21-%2C22%2B%2C23%2B%2C24-%2C25%2B%2C26%2B%2C27-%2C29%2B%2C31%2B%2C32%3F%2C33-%2C34%2B%2C35-%2C37%2B%2C38-%2C39-%2C40-%2Fm1%2Fs1, 195.655807495117, 1.0, 3.0, 4.02724647521973, , 3.0, 4.0, 57.0, 0.0, 5.0, 0.0, -2.00679993629456, 10.0, 4.21000003814697, 126.0, 2.1340000629425 -InChI%3D1S%2FC11H16N2O3%2Fc1-4-6-7%283%2911%285-2%298%2814%2912-10%2816%2913-9%2811%2915%2Fh6H%2C4-5H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29, 57.8773002624512, 0.0, 5.0, 0.199005216360092, , 8.0, 2.0, 16.0, 0.0, 5.0, 0.0, -0.446099996566772, 3.0, 2.11999988555908, 32.0, 2.47300004959106 -InChI%3D1S%2FC4H6O6%2Fc5-1%283%287%298%292%286%294%289%2910%2Fh1-2%2C5-6H%2C%28H%2C7%2C8%29%28H%2C9%2C10%29, 26.213399887085, 0.0, 4.0, 2.93916726112366, , 3.0, 4.0, 9.0, 0.0, 10.0, 0.0, -1.71440005302429, 3.0, 1.24000000953674, 16.0, -2.23799991607666 -InChI%3D1S%2FC8H9FN2O3.C4H4N2O2%2Fc9-5-4-11%286-2-1-3-14-6%298%2813%2910-7%285%2912%3B7-3-1-2-5-4%288%296-3%2Fh4%2C6H%2C1-3H2%2C%28H%2C10%2C12%2C13%29%3B1-2H%2C%28H2%2C5%2C6%2C7%2C8%29, 45.1285018920898, , 0.0, 4.08767509460449, , 8.0, 4.0, 23.0, 6.0, 0.0, 6.0, -2.02180004119873, 1.0, 1.67999994754791, 39.0, -InChI%3D1S%2FC15H15ClN2O4S%2Fc1-8-4-3-5-9%282%2914%288%2918-15%2820%2910-6-13%2823%2817%2C21%2922%2911%2816%297-12%2810%2919%2Fh3-7%2C19H%2C1-2H3%2C%28H%2C18%2C20%29%28H2%2C17%2C21%2C22%29, 38.8023986816406, 0.0, 0.0, 0.30239000916481, , 20.0, 3.0, 24.0, 12.0, 3.0, 12.0, 0.549899995326996, 3.0, 2.23000001907349, 38.0, 2.82299995422363 -InChI%3D1S%2FC41H64O8%2Fc1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36%2845%2949-29-37%2846%2948-28-35%2844%2941%2847%2925-23-33-32-21-20-30-26-31%2842%2922-24-39%2830%2C2%2938%2832%2934%2843%2927-40%2833%2C41%293%2Fh22%2C24%2C26%2C32-34%2C38%2C43%2C47H%2C4-21%2C23%2C25%2C27-29H2%2C1-3H3%2Ft32%3F%2C33-%2C34-%2C38%2B%2C39-%2C40-%2C41-%2Fm0%2Fs1, 165.898300170898, 2.0, 18.0, 25.1532344818115, , 6.0, 2.0, 52.0, 0.0, 27.0, 0.0, -5.01529979705811, 23.0, 5.09000015258789, 113.0, 9.82299995422363 -InChI%3D1S%2FC10H20N2O4%2Fc1-4-7%282%2910%283%2C5-15-8%2811%2913%296-16-9%2812%2914%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C11%2C13%29%28H2%2C12%2C14%29, 54.5480003356934, 0.0, 5.0, 1.27803027629852, , 4.0, 4.0, 15.0, 0.0, 16.0, 0.0, 1.130499958992, 8.0, 1.89999997615814, 36.0, 3.48000001907349 -InChI%3D1S%2FC12H16N2O3%2Fc1-2-12%288-6-4-3-5-7-8%299%2815%2913-11%2817%2914-10%2812%2916%2Fh6H%2C2-5%2C7H2%2C1H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29, 58.7052993774414, 0.0, 2.0, 1.23076832294464, , 8.0, 2.0, 18.0, 0.0, 2.0, 0.0, -1.10940003395081, 2.0, 2.23000001907349, 33.0, 2.59699988365173 -InChI%3D1S%2FC58H80N2O14.2ClH%2Fc1-59%2837-42%2844-35-49%2865-5%2948%2864-4%2934-43%2844%2938-59%2927-39-29-51%2867-7%2957%2871-11%2952%2830-39%2968-8%2922-17-25-73-55%2861%2919-15-13-14-16-20-56%2862%2974-26-18-23-60%282%2924-21-41-33-47%2863-3%2950%2866-6%2936-45%2841%2946%2860%2928-40-31-53%2869-9%2958%2872-12%2954%2832-40%2970-10%3B%3B%2Fh13-14%2C29-36%2C42%2C46H%2C15-28%2C37-38H2%2C1-12H3%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2%2Fb14-13%2B%3B%3B, , 2.0, 8.0, , , 9.0, 0.0, 79.0, 24.0, 18.0, 24.0, , 30.0, 5.8600001335144, 156.0, 7.29500007629395 -InChI%3D1S%2FC21H24ClN3OS%2Fc22-16-6-7-20-18%2814-16%2925%2817-4-1-2-5-19%2817%2927-20%2911-3-10-24-12-8-15%289-13-24%2921%2823%2926%2Fh1-2%2C4-7%2C14-15H%2C3%2C8-13H2%2C%28H2%2C23%2C26%29, 58.8866996765137, 0.0, 3.0, 0.100742757320404, , 13.0, 2.0, 30.0, 12.0, 3.0, 12.0, 0.317400008440018, 5.0, 3.10999989509583, 51.0, 4.77899980545044 -InChI%3D1S%2FC19H25N3O2S2%2Fc1-14%2820%282%293%2913-22-16-8-6-7-9-18%2816%2925-19-11-10-15%2812-17%2819%2922%2926%2823%2C24%2921%284%295%2Fh6-12%2C14H%2C13H2%2C1-5H3, 61.5266990661621, 0.0, 3.0, 0.0104448404163122, , 17.0, 0.0, 28.0, 12.0, 6.0, 12.0, 0.102200001478195, 5.0, 2.77999997138977, 51.0, 3.17600011825562 -InChI%3D1S%2FC6H10O%2Fc1-4-6%283%2C7%295-2%2Fh1%2C7H%2C5H2%2C2-3H3, 27.1746006011963, 0.0, 5.0, 0.0495062507688999, , 2.0, 1.0, 6.0, 0.0, 7.0, 0.0, 0.222499996423721, 1.0, 2.00999999046326, 17.0, 0.763000011444092 -InChI%3D1S%2FC16H19ClO3%2Fc17-14-10-12%2815%2818%298-9-16%2819%2920%296-7-13%2814%2911-4-2-1-3-5-11%2Fh6-7%2C10-11H%2C1-5%2C8-9H2%2C%28H%2C19%2C20%29, 47.7205009460449, 0.0, 4.0, 0.121521957218647, , 8.0, 1.0, 21.0, 6.0, 7.0, 6.0, -0.348600000143051, 5.0, 2.77999997138977, 39.0, 4.32000017166138 -InChI%3D1S%2FC2H7NS%2Fc3-1-2-4%2Fh4H%2C1-3H2, 22.3381004333496, 0.0, 2.0, 0.0465264916419983, , 0.0, 1.0, 3.0, 0.0, 4.0, 0.0, -0.215700000524521, 1.0, 1.46000003814697, 11.0, 0.105999998748302 -InChI%3D1S%2FC16H19BrN2%2Fc1-19%282%2912-10-15%2816-5-3-4-11-18-16%2913-6-8-14%2817%299-7-13%2Fh3-9%2C11%2C15H%2C10%2C12H2%2C1-2H3, 34.0872001647949, 0.0, 3.0, 0.633456826210022, , 6.0, 0.0, 20.0, 12.0, 6.0, 12.0, 0.795899987220764, 5.0, 2.89000010490417, 38.0, 4.62599992752075 -InChI%3D1S%2FC15H13NO3%2Fc17-14%2810-4-2-1-3-5-10%2913-7-6-12-11%2815%2818%2919%298-9-16%2812%2913%2Fh1-7%2C11H%2C8-9H2%2C%28H%2C18%2C19%29, 26.7087001800537, 0.0, 0.0, 0.830832242965698, , 13.0, 1.0, 21.0, 11.0, 2.0, 11.0, -0.911499977111816, 3.0, 2.67000007629395, 32.0, 3.3289999961853 -InChI%3D1S%2FC12H18N2O3.Na%2Fc1-4-6-8%283%2912%287-5-2%299%2815%2913-11%2817%2914-10%2812%2916%3B%2Fh5%2C8H%2C2%2C4%2C6-7H2%2C1%2C3H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29%3B%2Fq%3B%2B1%2Fp-1, , 0.0, 5.0, , , 8.0, 1.0, 17.0, 0.0, 5.0, 0.0, , 5.0, 2.11999988555908, 35.0, 3.2720000743866 -InChI%3D1S%2FC17H20N2S%2Fc1-18%282%2912-7-13-19-14-8-3-5-10-16%2814%2920-17-11-6-4-9-15%2817%2919%2Fh3-6%2C8-11H%2C7%2C12-13H2%2C1-2H3, 37.3189010620117, 0.0, 3.0, 0.310026228427887, , 13.0, 0.0, 22.0, 12.0, 6.0, 12.0, 0.556800007820129, 4.0, 3.0, 40.0, 4.36100006103516 -InChI%3D1S%2FC17H20N2O5S%2Fc1-9%2824-10-7-5-4-6-8-10%2913%2820%2918-11-14%2821%2919-12%2816%2822%2923%2917%282%2C3%2925-15%2811%2919%2Fh4-9%2C11-12%2C15H%2C1-3H3%2C%28H%2C18%2C20%29%28H%2C22%2C23%29%2Ft9%3F%2C11%3F%2C12-%2C15%2B%2Fm0%2Fs1, 65.3623962402344, 0.0, 3.0, 0.0455395616590977, , 7.0, 2.0, 27.0, 6.0, 6.0, 6.0, -0.21340000629425, 5.0, 2.45000004768372, 45.0, 2.26500010490417 -InChI%3D1S%2FC7H15NO3%2Fc1-8%282%2C3%295-6%289%294-7%2810%2911%2Fh6%2C9H%2C4-5H2%2C1-3H3%2Ft6-%2Fm1%2Fs1, 37.255500793457, 0.0, 4.0, 6.34485721588135, , 3.0, 1.0, 10.0, 0.0, 11.0, 0.0, -2.51889991760254, 4.0, 1.78999996185303, 26.0, -1.74100005626678 -InChI%3D1S%2FC18H22O3%2Fc1-5-16%2818%282%2C3%2917%2819%2920%2914-7-6-13-11-15%2821-4%299-8-12%2813%2910-14%2Fh6-11%2C16H%2C5H2%2C1-4H3%2C%28H%2C19%2C20%29, 40.7498016357422, 1.0, 5.0, 0.0650250017642975, , 11.0, 1.0, 22.0, 11.0, 9.0, 10.0, 0.254999995231628, 5.0, 3.10999989509583, 43.0, 5.59700012207031 -InChI%3D1S%2FC17H32NO2.BrH%2Fc1-5-7-13%288-6-2%2917%2819%2920-16-11-14-9-10-15%2812-16%2918%2814%2C3%294%3B%2Fh13-16H%2C5-12H2%2C1-4H3%3B1H%2Fq%2B1%3B%2Fp-1%2Ft14-%2C15-%3B%2Fm1.%2Fs1, , 0.0, 7.0, , , 3.0, 0.0, 21.0, 0.0, 10.0, 0.0, , 7.0, 2.89000010490417, 53.0, 4.69799995422363 -InChI%3D1S%2FC20H32O2%2Fc1-12-11-20%283%2913%2810-17%2812%2921%294-5-14-15-6-7-18%2822%2919%2815%2C2%299-8-16%2814%2920%2Fh12-16%2C18%2C22H%2C4-11H2%2C1-3H3%2Ft12-%2C13%2B%2C14%3F%2C15%2B%2C16%2B%2C18%2B%2C19%3F%2C20%2B%2Fm1%2Fs1, 84.5472030639648, 0.0, 0.0, 0.288046896457672, , 2.0, 1.0, 25.0, 0.0, 0.0, 0.0, 0.536700010299683, 0.0, 3.44000005722046, 54.0, 4.79099988937378 -InChI%3D1S%2FC9H10N2O3S2%2Fc1-2-14-6-3-4-7-8%285-6%2915-9%2811-7%2916%2810%2C12%2913%2Fh3-5H%2C2H2%2C1H3%2C%28H2%2C10%2C12%2C13%29, 30.5447006225586, 0.0, 2.0, 0.0216972902417183, , 14.0, 2.0, 17.0, 10.0, 3.0, 9.0, -0.147300004959106, 3.0, 1.67999994754791, 26.0, 0.587999999523163 -InChI%3D1S%2FC9H10N2O2%2Fc10-9%2813%2911-8%2812%296-7-4-2-1-3-5-7%2Fh1-5H%2C6H2%2C%28H3%2C10%2C11%2C12%2C13%29, 21.3031005859375, 0.0, 2.0, 0.0656384378671646, , 6.0, 3.0, 13.0, 6.0, 7.0, 6.0, -0.256199985742569, 3.0, 2.00999999046326, 23.0, 2.9779999256134 -InChI%3D1S%2FC17H20N4S%2Fc1-12-11-13-16%2821-9-7-20%282%298-10-21%2918-14-5-3-4-6-15%2814%2919-17%2813%2922-12%2Fh3-6%2C11%2C19H%2C7-10H2%2C1-2H3, 52.9681015014648, 0.0, 0.0, 0.0870250016450882, , 15.0, 1.0, 25.0, 11.0, 0.0, 11.0, 0.294999986886978, 1.0, 2.77999997138977, 42.0, 3.45099997520447 -InChI%3D1S%2FC15H22N2O%2Fc1-11-7-6-8-12%282%2914%2811%2916-15%2818%2913-9-4-5-10-17%2813%293%2Fh6-8%2C13H%2C4-5%2C9-10H2%2C1-3H3%2C%28H%2C16%2C18%29, 44.845100402832, 0.0, 0.0, 0.0951105579733849, , 9.0, 1.0, 19.0, 6.0, 3.0, 6.0, 0.308400005102158, 2.0, 2.77999997138977, 40.0, 3.55599999427795 -InChI%3D1S%2FC2H3Br3O%2Fc3-2%284%2C5%291-6%2Fh6H%2C1H2, 36.641300201416, 0.0, 2.0, 3.42583084106445, , 0.0, 1.0, 5.0, 0.0, 6.0, 0.0, 1.85090005397797, 1.0, 1.24000000953674, 9.0, 2.3510000705719 -InChI%3D1S%2FC27H29NO11%2Fc1-10-22%2831%2913%2828%296-17%2838-10%2939-15-8-27%2836%2C16%2830%299-29%297-12-19%2815%2926%2835%2921-20%2824%2812%2933%2923%2832%2911-4-3-5-14%2837-2%2918%2811%2925%2821%2934%2Fh3-5%2C10%2C13%2C15%2C17%2C22%2C29%2C31%2C33%2C35-36H%2C6-9%2C28H2%2C1-2H3%2Ft10-%2C13-%2C15-%2C17-%2C22-%2C27-%2Fm0%2Fs1, 85.2879028320312, 1.0, 2.0, 19.5257930755615, , 19.0, 6.0, 43.0, 12.0, 4.0, 12.0, -4.41879987716675, 5.0, 3.10999989509583, 68.0, -1.67900002002716 -InChI%3D1S%2FC23H36O3%2Fc1-5-21%2825%2926-20-9-8-17-16-7-6-15-12-19%2824%2914%282%2913-23%2815%2C4%2918%2816%2910-11-22%2817%2C20%293%2Fh14-18%2C20H%2C5-13H2%2C1-4H3%2Ft14-%2C15%2B%2C16%3F%2C17%3F%2C18%2B%2C20%2B%2C22%2B%2C23%2B%2Fm1%2Fs1, 98.7221984863281, 1.0, 3.0, 0.984063982963562, , 3.0, 0.0, 29.0, 0.0, 5.0, 0.0, 0.991999983787537, 3.0, 3.66000008583069, 62.0, 5.78399991989136 -InChI%3D1S%2FC22H28N.BrH%2Fc1-4-23%285-2%2917-16-21%2818%2823%293%2922%2819-12-8-6-9-13-19%2920-14-10-7-11-15-20%3B%2Fh6-15%2C18H%2C4-5%2C16-17H2%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1, , 1.0, 2.0, , , 14.0, 0.0, 25.0, 12.0, 2.0, 12.0, , 4.0, 3.66000008583069, 52.0, 9.10200023651123 -InChI%3D1S%2FC18H25NO%2Fc1-12-16-11-19%2810-13-3-4-13%298-7-18%2812%2C2%2917-9-14%2820%295-6-15%2816%2917%2Fh5-6%2C9%2C12-13%2C16%2C20H%2C3-4%2C7-8%2C10-11H2%2C1-2H3, 55.2181015014648, 0.0, 0.0, 0.0218744091689587, , 7.0, 1.0, 23.0, 6.0, 0.0, 6.0, 0.147900000214577, 2.0, 3.22000002861023, 45.0, 3.67600011825562 -InChI%3D1S%2FC16H12FN3O3%2Fc1-23-16%2822%2920-15-18-12-7-4-10%288-13%2812%2919-15%2914%2821%299-2-5-11%2817%296-3-9%2Fh2-8H%2C1H3%2C%28H2%2C18%2C19%2C20%2C22%29, 21.7429008483887, 0.0, 0.0, 0.619998753070831, , 16.0, 3.0, 25.0, 16.0, 5.0, 12.0, 0.787400007247925, 4.0, 2.45000004768372, 34.0, 3.875 -InChI%3D1S%2FC13H15N3O4S%2Fc1-19-7-8-20-11-9-14-13%2815-10-11%2916-21%2817%2C18%2912-5-3-2-4-6-12%2Fh2-6%2C9-10H%2C7-8H2%2C1H3%2C%28H%2C14%2C15%2C16%29, 29.5009002685547, 0.0, 2.0, 1.25260865688324, , 17.0, 1.0, 22.0, 12.0, 5.0, 12.0, -1.1191999912262, 7.0, 2.00999999046326, 36.0, 1.34700000286102 -InChI%3D1S%2FC16H19N3O4S%2Fc1-16%282%2911%2815%2822%2923%2919-13%2821%2910%2814%2819%2924-16%2918-12%2820%299%2817%298-6-4-3-5-7-8%2Fh3-7%2C9-11%2C14H%2C17H2%2C1-2H3%2C%28H%2C18%2C20%29%28H%2C22%2C23%29%2Ft9-%2C10%3F%2C11%2B%2C14-%2Fm1%2Fs1, 62.0666999816895, 0.0, 2.0, 0.740460276603699, , 6.0, 3.0, 26.0, 6.0, 5.0, 6.0, -0.860499978065491, 4.0, 2.33999991416931, 43.0, -0.545000016689301 -InChI%3D1S%2FC10H16N5O13P3%2Fc11-8-5-9%2813-2-12-8%2915%283-14-5%2910-7%2817%296%2816%294%2826-10%291-25-30%2821%2C22%2928-31%2823%2C24%2927-29%2818%2C19%2920%2Fh2-4%2C6-7%2C10%2C16-17H%2C1H2%2C%28H%2C21%2C22%29%28H%2C23%2C24%29%28H2%2C11%2C12%2C13%29%28H2%2C18%2C19%2C20%29%2Ft4%3F%2C6-%2C7%3F%2C10-%2Fm1%2Fs1, 65.9878997802734, 2.0, 0.0, 7.69785022735596, , 13.0, 8.0, 33.0, 10.0, 14.0, 6.0, -2.77449989318848, 8.0, 0.25, 47.0, -5.92500019073486 -InChI%3D1S%2FC13H26N2O4%2Fc1-4-6-8-15-12%2817%2919-10-13%283%2C7-5-2%299-18-11%2814%2916%2Fh4-10H2%2C1-3H3%2C%28H2%2C14%2C16%29%28H%2C15%2C17%29, 67.1253967285156, 1.0, 5.0, 0.103812843561172, , 4.0, 3.0, 18.0, 0.0, 19.0, 0.0, 0.322200000286102, 11.0, 2.23000001907349, 45.0, 4.12400007247925 -InChI%3D1S%2FC10H13NO3%2Fc1-10%2811%2C9%2813%2914%296-7-2-4-8%2812%295-3-7%2Fh2-5%2C12H%2C6%2C11H2%2C1H3%2C%28H%2C13%2C14%29, 26.7961006164551, 0.0, 3.0, 0.949065625667572, , 7.0, 3.0, 14.0, 6.0, 7.0, 6.0, -0.974200010299683, 3.0, 2.11999988555908, 27.0, -1.46700000762939 -InChI%3D1S%2FC6H6N2O%2Fc7-6%289%295-2-1-3-8-4-5%2Fh1-4H%2C%28H2%2C7%2C9%29, 8.47640037536621, 0.0, 0.0, 0.00665856013074517, , 9.0, 2.0, 9.0, 6.0, 3.0, 6.0, -0.0816000029444695, 1.0, 1.78999996185303, 15.0, 1.04299998283386 -InChI%3D1S%2FC11H13NO4%2Fc1-14-9-4-2-3-5-10%289%2915-7-8-6-12-11%2813%2916-8%2Fh2-5%2C8H%2C6-7H2%2C1H3%2C%28H%2C12%2C13%29, 31.398099899292, 0.0, 0.0, 0.000141609998536296, , 8.0, 1.0, 17.0, 6.0, 2.0, 6.0, 0.0119000002741814, 4.0, 2.11999988555908, 29.0, 1.82400000095367 -InChI%3D1S%2FC24H32O4%2Fc1-5-24%2828-16%283%2926%2913-11-22-21-8-6-17-14-18%2827-15%282%2925%297-9-19%2817%2920%2821%2910-12-23%2822%2C24%294%2Fh1%2C14%2C18-22H%2C6-13H2%2C2-4H3%2Ft18-%2C19%3F%2C20%2B%2C21%3F%2C22-%2C23%3F%2C24-%2Fm0%2Fs1, 101.771202087402, 0.0, 2.0, 1.5515193939209, , 3.0, 0.0, 31.0, 0.0, 4.0, 0.0, 1.24559998512268, 4.0, 3.66000008583069, 60.0, 4.99700021743774 -InChI%3D1S%2FC13H14N2O3%2Fc1-3-13%289-7-5-4-6-8-9%2910%2816%2914-12%2818%2915%282%2911%2813%2917%2Fh4-8H%2C3H2%2C1-2H3%2C%28H%2C14%2C16%2C18%29, 39.3282012939453, 0.0, 2.0, 0.86174088716507, , 8.0, 1.0, 19.0, 6.0, 2.0, 6.0, -0.928300023078918, 2.0, 2.33999991416931, 32.0, 3.24799990653992 -InChI%3D1S%2FC14H20Br2N2%2Fc1-18%2812-5-3-2-4-6-12%299-10-7-11%2815%298-13%2816%2914%2810%2917%2Fh7-8%2C12H%2C2-6%2C9%2C17H2%2C1H3, 52.6831016540527, 0.0, 0.0, 0.112627357244492, , 7.0, 1.0, 19.0, 6.0, 3.0, 6.0, -0.335599988698959, 3.0, 2.55999994277954, 38.0, 4.00400018692017 -InChI%3D1S%2FC11H13N3O3S%2Fc1-7-8%282%2917-11%2813-7%2914-18%2815%2C16%2910-5-3-9%2812%294-6-10%2Fh3-6H%2C12H2%2C1-2H3%2C%28H%2C13%2C14%29, 28.4477996826172, 0.0, 0.0, 0.924482226371765, , 11.0, 3.0, 19.0, 11.0, 4.0, 6.0, -0.961499989032745, 3.0, 1.89999997615814, 31.0, 1.35199999809265 -InChI%3D1S%2FC17H19NO3%2Fc1-18-7-6-17-10-3-5-13%2820%2916%2817%2921-15-12%2819%294-2-9%2814%2815%2917%298-11%2810%2918%2Fh2-5%2C10-11%2C13%2C16%2C19-20H%2C6-8H2%2C1H3%2Ft10-%2C11%2B%2C13%3F%2C16-%2C17-%2Fm0%2Fs1, 56.0780982971191, 0.0, 0.0, 0.514232397079468, , 8.0, 2.0, 25.0, 6.0, 0.0, 6.0, -0.717100024223328, 0.0, 2.89000010490417, 40.0, 0.796000003814697 -InChI%3D1S%2FC5H11Cl2NO.ClH%2Fc1-8%289%2C4-2-6%295-3-7%3B%2Fh2-5H2%2C1H3%3B1H, 36.5657997131348, 0.0, 2.0, 0.687738478183746, , 1.0, 0.0, 8.0, 0.0, 9.0, 0.0, 0.829299986362457, 4.0, 1.46000003814697, 22.0, 1.2150000333786 -InChI%3D1S%2FC29H40N2O4%2Fc1-6-18-17-31-10-8-20-14-27%2833-3%2929%2835-5%2916-23%2820%2925%2831%2912-21%2818%2911-24-22-15-28%2834-4%2926%2832-2%2913-19%2822%297-9-30-24%2Fh13-16%2C18%2C21%2C24-25%2C30H%2C6-12%2C17H2%2C1-5H3%2Ft18-%2C21%3F%2C24%2B%2C25-%2Fm0%2Fs1, 88.61669921875, 0.0, 2.0, 0.256947606801987, , 8.0, 1.0, 39.0, 12.0, 2.0, 12.0, -0.506900012493134, 7.0, 3.99000000953674, 75.0, 4.16099977493286 -InChI%3D1S%2FC18H17NO5%2Fc1-23-15-9-7-12%2811-16%2815%2924-2%298-10-17%2820%2919-14-6-4-3-5-13%2814%2918%2821%2922%2Fh3-11H%2C1-2H3%2C%28H%2C19%2C20%29%28H%2C21%2C22%29, 40.57080078125, 0.0, 3.0, 0.0040832101367414, , 22.0, 2.0, 25.0, 12.0, 5.0, 12.0, -0.063900001347065, 6.0, 2.77999997138977, 41.0, 3.90700006484985 -InChI%3D1S%2FC13H18Cl2N2O2%2Fc14-5-7-17%288-6-15%2911-3-1-10%282-4-11%299-12%2816%2913%2818%2919%2Fh1-4%2C12H%2C5-9%2C16H2%2C%28H%2C18%2C19%29%2Ft12-%2Fm0%2Fs1, 52.6076011657715, 0.0, 3.0, 0.215110436081886, , 7.0, 2.0, 19.0, 6.0, 7.0, 6.0, 0.463800013065338, 8.0, 2.23000001907349, 37.0, 0.514999985694885 -InChI%3D1S%2FC24H40O4%2Fc1-14%284-7-21%2827%2928%2917-5-6-18-22-19%289-11-24%2817%2C18%293%2923%282%2910-8-16%2825%2912-15%2823%2913-20%2822%2926%2Fh14-20%2C22%2C25-26H%2C4-13H2%2C1-3H3%2C%28H%2C27%2C28%29%2Ft14-%2C15%2B%2C16-%2C17-%2C18%2B%2C19%2B%2C20%2B%2C22%3F%2C23%3F%2C24%3F%2Fm1%2Fs1, 104.151496887207, 1.0, 5.0, 0.0113848904147744, , 3.0, 3.0, 31.0, 0.0, 7.0, 0.0, 0.106700003147125, 4.0, 3.66000008583069, 68.0, 6.17799997329712 -InChI%3D1S%2FC23H36O7%2Fc1-4-13%282%2923%2829%2930-20-11-17%2825%299-15-6-5-14%283%2919%2822%2815%2920%298-7-16%2824%2910-18%2826%2912-21%2827%2928%2Fh5-6%2C9%2C13-14%2C16-20%2C22%2C24-26H%2C4%2C7-8%2C10-12H2%2C1-3H3%2C%28H%2C27%2C28%29%2Ft13-%2C14-%2C16%2B%2C17%2B%2C18%2B%2C19-%2C20%3F%2C22-%2Fm0%2Fs1, 105.024696350098, 1.0, 7.0, 3.59443688392639, , 4.0, 4.0, 31.0, 0.0, 11.0, 0.0, -1.89590001106262, 11.0, 3.22000002861023, 66.0, 2.27500009536743 -InChI%3D1S%2FC9H19NO4%2Fc1-9%282%2C6-12%297%2813%298%2814%2910-4-3-5-11%2Fh7%2C11-13H%2C3-6H2%2C1-2H3%2C%28H%2C10%2C14%29, 49.9790992736816, 0.0, 4.0, 1.39901578426361, , 3.0, 4.0, 13.0, 0.0, 14.0, 0.0, -1.18280005455017, 6.0, 1.89999997615814, 33.0, -0.815999984741211 -InChI%3D1S%2FC29H33FO8%2Fc1-16-12-21-20-8-7-18-13-19%2832%299-10-26%2818%2C3%2928%2820%2C30%2923%2833%2914-27%2821%2C4%2929%2816%2C24%2834%2915-37-17%282%2931%2938-25%2835%2922-6-5-11-36-22%2Fh5-6%2C9-11%2C13%2C16%2C20-21%2C23%2C33H%2C7-8%2C12%2C14-15H2%2C1-4H3%2Ft16-%2C20%2B%2C21%2B%2C23%2B%2C26%2B%2C27%2B%2C28%2B%2C29%2B%2Fm1%2Fs1, 115.792999267578, 0.0, 2.0, 0.122360043227673, , 8.0, 1.0, 42.0, 5.0, 7.0, 5.0, -0.349799990653992, 7.0, 3.66000008583069, 71.0, 2.91199994087219 -InChI%3D1S%2FC16H19N3O5S%2Fc1-16%282%2911%2815%2823%2924%2919-13%2822%2910%2814%2819%2925-16%2918-12%2821%299%2817%297-3-5-8%2820%296-4-7%2Fh3-6%2C9-11%2C14%2C20H%2C17H2%2C1-2H3%2C%28H%2C18%2C21%29%28H%2C23%2C24%29%2Ft9-%2C10-%2C11%3F%2C14%3F%2Fm1%2Fs1, 64.6313018798828, 0.0, 2.0, 1.74451267719269, , 7.0, 4.0, 27.0, 6.0, 5.0, 6.0, -1.32079994678497, 4.0, 2.23000001907349, 44.0, -2.14100003242493 -InChI%3D1S%2FC21H26ClN3OS%2Fc22-17-6-7-21-19%2816-17%2925%2818-4-1-2-5-20%2818%2927-21%299-3-8-23-10-12-24%2813-11-23%2914-15-26%2Fh1-2%2C4-7%2C16%2C26H%2C3%2C8-15H2, 65.2769012451172, 0.0, 3.0, 0.516960978507996, , 13.0, 1.0, 30.0, 12.0, 3.0, 12.0, 0.718999981880188, 6.0, 3.10999989509583, 53.0, 3.39100003242493 -InChI%3D1S%2FC15H12I3NO4%2Fc16-9-6-8%281-2-13%289%2920%2923-14-10%2817%293-7%284-11%2814%2918%295-12%2819%2915%2821%2922%2Fh1-4%2C6%2C12%2C20H%2C5%2C19H2%2C%28H%2C21%2C22%29%2Ft12-%2Fm0%2Fs1, 65.6519012451172, 0.0, 3.0, 6.56128215789795, , 14.0, 3.0, 24.0, 12.0, 6.0, 12.0, 2.56150007247925, 5.0, 2.23000001907349, 35.0, 2.21300005912781 -InChI%3D1S%2FC8H11NO3%2Fc9-4-8%2812%295-1-2-6%2810%297%2811%293-5%2Fh1-3%2C8%2C10-12H%2C4%2C9H2%2Ft8-%2Fm0%2Fs1, 20.0259990692139, 0.0, 2.0, 4.70716428756714, , 8.0, 4.0, 12.0, 6.0, 4.0, 6.0, -2.16960000991821, 2.0, 1.89999997615814, 23.0, -0.46000000834465 -InChI%3D1S%2FC10H16Br2N2O2%2Fc11-3-1-9%2815%2913-5-7-14%288-6-13%2910%2816%292-4-12%2Fh1-8H2, 69.4527969360352, 0.0, 3.0, 0.418867826461792, , 3.0, 0.0, 16.0, 0.0, 5.0, 0.0, 0.647199988365173, 6.0, 1.89999997615814, 32.0, 1.14999997615814 -InChI%3D1S%2FC47H51NO14%2Fc1-25-31%2860-43%2856%2936%2852%2935%2828-16-10-7-11-17-28%2948-41%2854%2929-18-12-8-13-19-29%2923-47%2857%2940%2861-42%2855%2930-20-14-9-15-21-30%2938-45%286%2C32%2851%2922-33-46%2838%2C24-58-33%2962-27%283%2950%2939%2853%2937%2859-26%282%2949%2934%2825%2944%2847%2C4%295%2Fh7-21%2C31-33%2C35-38%2C40%2C51-52%2C57H%2C22-24H2%2C1-6H3%2C%28H%2C48%2C54%29%2Ft31-%2C32-%2C33%2B%2C35-%2C36%2B%2C37%2B%2C38-%2C40-%2C45%3F%2C46%3F%2C47%2B%2Fm0%2Fs1, 138.074905395508, 3.0, 3.0, 2.63477826118469, , 9.0, 4.0, 68.0, 18.0, 9.0, 18.0, -1.62320005893707, 14.0, 4.98000001907349, 113.0, 6.63600015640259 -InChI%3D1S%2FC12H18O%2Fc1-8%282%2910-6-5-7-11%289%283%294%2912%2810%2913%2Fh5-9%2C13H%2C1-4H3, 31.1002006530762, 0.0, 3.0, 0.469910264015198, , 7.0, 1.0, 13.0, 6.0, 3.0, 6.0, 0.685500025749207, 2.0, 2.67000007629395, 31.0, 4.42199993133545 -InChI%3D1S%2FC28H27NO4S%2Fc30-21-8-4-20%285-9-21%2928-26%2824-13-10-22%2831%2918-25%2824%2934-28%2927%2832%2919-6-11-23%2812-7-19%2933-17-16-29-14-2-1-3-15-29%2Fh4-13%2C18%2C30-31H%2C1-3%2C14-17H2, 50.3694000244141, 1.0, 2.0, 2.40963530540466, , 26.0, 2.0, 38.0, 22.0, 3.0, 21.0, -1.55229997634888, 7.0, 3.88000011444092, 61.0, 5.0770001411438 -InChI%3D1S%2FC11H10I2N2O4.Na%2Fc1-4%2816%2914-6-3-7%2815-5%282%2917%2910%2813%298%289%286%2912%2911%2818%2919%3B%2Fh3H%2C1-2H3%2C%28H%2C14%2C16%29%28H%2C15%2C17%29%28H%2C18%2C19%29%3B%2Fq%3B%2B1%2Fp-1, , 0.0, 0.0, , , 15.0, 2.0, 19.0, 6.0, 4.0, 6.0, , 3.0, 1.67999994754791, 29.0, 2.96700000762939 -InChI%3D1S%2FC33H40N2O9%2Fc1-38-19-7-8-20-21-9-10-35-16-18-13-27%2844-32%2836%2917-11-25%2839-2%2930%2841-4%2926%2812-17%2940-3%2931%2842-5%2928%2833%2837%2943-6%2922%2818%2915-24%2835%2929%2821%2934-23%2820%2914-19%2Fh7-8%2C11-12%2C14%2C18%2C22%2C24%2C27-28%2C31%2C34H%2C9-10%2C13%2C15-16H2%2C1-6H3%2Ft18%3F%2C22%3F%2C24-%2C27%3F%2C28%2B%2C31%2B%2Fm1%2Fs1, 99.9578018188477, 0.0, 0.0, 0.196958437561989, , 12.0, 1.0, 49.0, 16.0, 4.0, 12.0, -0.443800002336502, 10.0, 3.88000011444092, 83.0, 2.89499998092651 -InChI%3D1S%2FC6H7NO%2Fc8-5-6-2-1-3-7-4-6%2Fh1-4%2C8H%2C5H2, 7.27680015563965, 0.0, 0.0, 0.201331689953804, , 6.0, 1.0, 8.0, 6.0, 2.0, 6.0, -0.44870001077652, 1.0, 1.89999997615814, 15.0, 0.379999995231628 -InChI%3D1S%2FC20H21N7O6S2%2Fc21-6-11-4-2-1-3-10%2811%295-13%2828%2922-15-17%2831%2927-16%2819%2832%2933%2912%288-34-18%2815%2927%299-35-20-23-24-25-26%2820%297-14%2829%2930%2Fh1-4%2C15%2C18H%2C5-9%2C21H2%2C%28H%2C22%2C28%29%28H%2C29%2C30%29%28H%2C32%2C33%29%2Ft15%3F%2C18-%2Fm1%2Fs1, 91.2378997802734, 1.0, 2.0, 1.17332220077515, , 8.0, 4.0, 38.0, 11.0, 4.0, 11.0, -1.08319997787476, 10.0, 2.00999999046326, 56.0, -2.16499996185303 -InChI%3D1S%2FC22H26N2O2%2Fc1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17%2815%2924%2819%2816%2920%2822%2923%2918%2814-22%2921%2825%2926-4-2%2Fh5-6%2C8-9%2C14%2C20H%2C3-4%2C7%2C10-13H2%2C1-2H3%2Ft20-%2C22%3F%2Fm1%2Fs1, 69.7465972900391, 1.0, 2.0, 0.0619512088596821, , 14.0, 0.0, 30.0, 10.0, 5.0, 9.0, 0.24889999628067, 4.0, 3.44000005722046, 52.0, 5.11600017547607 -InChI%3D1S%2FC7H7NO2%2Fc8-7%2810%295-3-1-2-4-6%285%299%2Fh1-4%2C9H%2C%28H2%2C8%2C10%29, 11.0410003662109, 0.0, 0.0, 0.293655604124069, , 10.0, 3.0, 10.0, 6.0, 3.0, 6.0, -0.541899979114532, 1.0, 1.89999997615814, 17.0, 2.1159999370575 -InChI%3D1S%2FC9H11N%2Fc10-9-6-8%289%297-4-2-1-3-5-7%2Fh1-5%2C8-9H%2C6%2C10H2%2Ft8%3F%2C9-%2Fm1%2Fs1, 14.8746004104614, 0.0, 0.0, 0.723860621452332, , 6.0, 1.0, 11.0, 6.0, 0.0, 6.0, -0.850799977779388, 1.0, 2.33999991416931, 21.0, 3.18099999427795 -InChI%3D1S%2FC21H25NO3%2Fc1-12-6-7-21%2824%2916-10-14-4-5-15%2823%2918-17%2814%2920%2821%2C19%2812%2925-18%298-9-22%2816%2911-13-2-3-13%2Fh4-5%2C13%2C16%2C19%2C23-24H%2C1-3%2C6-11H2%2Ft16-%2C19%2B%2C20%2B%2C21-%2Fm1%2Fs1, 70.0578994750977, 0.0, 0.0, 0.194304645061493, , 8.0, 2.0, 30.0, 6.0, 0.0, 6.0, -0.44080001115799, 2.0, 3.32999992370605, 50.0, 1.55400002002716 -InChI%3D1S%2FC26H27ClN2O%2Fc1-28%2819-26%2830%2922-13-15-23%2827%2916-14-22%2917-6-18-29-24-9-4-2-7-20%2824%2911-12-21-8-3-5-10-25%2821%2929%2Fh2-5%2C7-10%2C13-16H%2C6%2C11-12%2C17-19H2%2C1H3, 49.0830993652344, 1.0, 3.0, 0.071502760052681, , 13.0, 0.0, 33.0, 18.0, 8.0, 18.0, 0.267399996519089, 7.0, 3.88000011444092, 57.0, 7.09999990463257 -InChI%3D1S%2FC9H6I3NO3%2Fc1-3%2814%2913-8-5%2811%292-4%2810%296%287%288%2912%299%2815%2916%2Fh2H%2C1H3%2C%28H%2C13%2C14%29%28H%2C15%2C16%29, 62.9586982727051, 0.0, 2.0, 15.5930213928223, , 12.0, 2.0, 16.0, 6.0, 4.0, 6.0, 3.9488000869751, 2.0, 1.67999994754791, 22.0, 3.76799988746643 -InChI%3D1S%2FC25H34O6%2Fc1-4-5-21-30-20-11-17-16-7-6-14-10-15%2827%298-9-23%2814%2C2%2922%2816%2918%2828%2912-24%2817%2C3%2925%2820%2C31-21%2919%2829%2913-26%2Fh8-10%2C16-18%2C20-22%2C26%2C28H%2C4-7%2C11-13H2%2C1-3H3%2Ft16-%2C17%3F%2C18-%2C20%2B%2C21%3F%2C22%3F%2C23-%2C24-%2C25%3F%2Fm0%2Fs1, 111.714698791504, 0.0, 3.0, 1.97149682044983, , 6.0, 2.0, 35.0, 0.0, 4.0, 0.0, -1.40409994125366, 4.0, 3.54999995231628, 65.0, 1.91400003433228 -InChI%3D1S%2FC22H29FO5%2Fc1-11-6-14-13-8-16%2823%2915-7-12%2825%294-5-20%2815%2C2%2919%2813%2917%2826%299-21%2814%2C3%2922%2811%2C28%2918%2827%2910-24%2Fh4-5%2C7%2C11%2C13-14%2C16-17%2C19%2C24%2C26%2C28H%2C6%2C8-10H2%2C1-3H3%2Ft11-%2C13%3F%2C14%2B%2C16%2B%2C17%2B%2C19-%2C20%2B%2C21%2B%2C22%2B%2Fm1%2Fs1, 101.097702026367, 0.0, 2.0, 0.649958431720734, , 6.0, 3.0, 31.0, 0.0, 4.0, 0.0, -0.80620002746582, 2.0, 3.22000002861023, 57.0, 1.03600001335144 -InChI%3D1S%2FC19H20FNO3%2Fc20-15-4-2-14%283-5-15%2916-7-8-21-10-19%2816%2922-11-13-1-6-17-18%289-13%2924-12-23-17%2Fh1-6%2C9%2C16%2C19%2C21H%2C7-8%2C10-12H2%2Ft16%3F%2C19-%2Fm1%2Fs1, 36.5125999450684, 0.0, 0.0, 1.01445186138153, , 8.0, 1.0, 27.0, 12.0, 2.0, 12.0, -1.00720000267029, 4.0, 3.0, 44.0, 3.59899997711182 -InChI%3D1S%2FC16H15ClN2OS%2Fc1-3-10-8-12-15%2811-6-4-5-7-13%2811%2917%2918-9-14%2820%2919%282%2916%2812%2921-10%2Fh4-8H%2C3%2C9H2%2C1-2H3, 46.5227012634277, 0.0, 2.0, 0.0667188912630081, , 16.0, 0.0, 23.0, 11.0, 2.0, 11.0, 0.258300006389618, 2.0, 2.67000007629395, 36.0, 3.22300004959106 -InChI%3D1S%2FC10H14ClN%2Fc1-10%282%2C12%297-8-5-3-4-6-9%288%2911%2Fh3-6H%2C7%2C12H2%2C1-2H3, 28.3603000640869, 0.0, 3.0, 0.827554106712341, , 6.0, 1.0, 12.0, 6.0, 5.0, 6.0, 0.909699976444244, 2.0, 2.33999991416931, 26.0, 3.25099992752075 -InChI%3D1S%2FC17H21N%2Fc1-15%2813-16-9-5-3-6-10-16%2918%282%2914-17-11-7-4-8-12-17%2Fh3-12%2C15H%2C13-14H2%2C1-2H3, 27.468900680542, 1.0, 3.0, 0.0362521596252918, , 6.0, 0.0, 19.0, 12.0, 6.0, 12.0, 0.190400004386902, 5.0, 3.22000002861023, 39.0, 7.11899995803833 -InChI%3D1S%2FC11H14ClN5%2Fc1-11%282%2916-9%2813%2915-10%2814%2917%2811%298-5-3-7%2812%294-6-8%2Fh3-6H%2C1-2H3%2C%28H4%2C13%2C14%2C15%2C16%29, 39.6129989624023, 0.0, 0.0, 0.192896634340286, , 13.0, 4.0, 18.0, 6.0, 0.0, 6.0, 0.439200013875961, 1.0, 2.00999999046326, 31.0, 4.7519998550415 -InChI%3D1S%2FC18H23N5O5%2Fc1-21-16-15%2817%2827%2922%282%2918%2821%2928%2923%2810-20-16%295-3-4-19-9-14%2826%2911-6-12%2824%298-13%2825%297-11%2Fh6-8%2C10%2C14%2C19%2C24-26H%2C3-5%2C9H2%2C1-2H3, 60.6153984069824, 0.0, 3.0, 6.96062707901001, , 8.0, 5.0, 30.0, 11.0, 7.0, 6.0, -2.6382999420166, 7.0, 2.33999991416931, 51.0, -0.976000010967255 -InChI%3D1S%2FC15H14O6%2Fc16-8-4-11%2818%299-6-13%2820%2915%2821-14%289%295-8%297-1-2-10%2817%2912%2819%293-7%2Fh1-5%2C13%2C15-20H%2C6H2%2Ft13%3F%2C15-%2Fm1%2Fs1, 26.1033000946045, 0.0, 0.0, 6.22003602981567, , 9.0, 5.0, 23.0, 12.0, 0.0, 12.0, -2.49399995803833, 1.0, 2.45000004768372, 35.0, 0.40599998831749 -InChI%3D1S%2FC17H14O4S%2Fc1-22%2819%2C20%2914-9-7-12%288-10-14%2915-11-21-17%2818%2916%2815%2913-5-3-2-4-6-13%2Fh2-10H%2C11H2%2C1H3, 33.2206001281738, 0.0, 0.0, 0.106145642697811, , 20.0, 0.0, 24.0, 12.0, 3.0, 12.0, -0.325800001621246, 3.0, 2.77999997138977, 36.0, 4.76700019836426 -InChI%3D1S%2FC9H10O2%2Fc1-2-9%2811%297-3-5-8%2810%296-4-7%2Fh3-6%2C10H%2C2H2%2C1H3, 18.3584995269775, 0.0, 3.0, 0.407043993473053, , 9.0, 1.0, 11.0, 6.0, 4.0, 6.0, -0.638000011444092, 2.0, 2.23000001907349, 21.0, 1.58800005912781 -InChI%3D1S%2FC24H30N2O2%2Fc1-2-26-19-22%2813-14-25-15-17-28-18-16-25%2924%2823%2826%2927%2C20-9-5-3-6-10-20%2921-11-7-4-8-12-21%2Fh3-12%2C22H%2C2%2C13-19H2%2C1H3, 58.557201385498, 1.0, 2.0, 1.73527932167053, , 6.0, 0.0, 31.0, 12.0, 2.0, 12.0, -1.31729996204376, 6.0, 3.66000008583069, 58.0, 6.24599981307983 -InChI%3D1S%2FC14H12O3S%2Fc1-9%2814%2816%2917%2911-7-8-12%2818-11%2913%2815%2910-5-3-2-4-6-10%2Fh2-9H%2C1H3%2C%28H%2C16%2C17%29, 29.7129001617432, 0.0, 3.0, 0.145771235227585, , 13.0, 1.0, 19.0, 11.0, 5.0, 11.0, 0.3817999958992, 4.0, 2.55999994277954, 30.0, 3.88899993896484 -InChI%3D1S%2FC27H37FO6%2Fc1-5-6-7-23%2833%2934-27%2822%2832%2915-29%2916%282%2912-20-19-9-8-17-13-18%2830%2910-11-24%2817%2C3%2926%2819%2C28%2921%2831%2914-25%2820%2C27%294%2Fh10-11%2C13%2C16%2C19-21%2C29%2C31H%2C5-9%2C12%2C14-15H2%2C1-4H3%2Ft16-%2C19-%2C20%3F%2C21-%2C24-%2C25-%2C26%3F%2C27-%2Fm0%2Fs1, 121.293502807617, 0.0, 5.0, 1.1335860490799, , 6.0, 2.0, 37.0, 0.0, 7.0, 0.0, -1.06470000743866, 7.0, 3.66000008583069, 71.0, 2.83999991416931 -InChI%3D1S%2FC23H33N2O2%2Fc1-4-10-25-17-11-14%2813%285-2%2922%2825%2927%2919-18%2825%2912-23%2821%2819%2926%2915-8-6-7-9-16%2815%2924%283%2920%2817%2923%2Fh6-9%2C13-14%2C17-22%2C26-27H%2C4-5%2C10-12H2%2C1-3H3%2Fq%2B1%2Ft13-%2C14-%2C17-%2C18-%2C19%3F%2C20-%2C21%2B%2C22%2B%2C23%3F%2C25%3F%2Fm0%2Fs1, 73.1718978881836, 0.0, 3.0, 14.0647497177124, , 7.0, 2.0, 32.0, 6.0, 3.0, 6.0, -3.75029993057251, 3.0, 3.54999995231628, 60.0, 3.20000004768372 -InChI%3D1S%2FC41H64O13%2Fc1-20-36%2846%2929%2842%2916-34%2849-20%2953-38-22%283%2951-35%2818-31%2838%2944%2954-37-21%282%2950-33%2817-30%2837%2943%2952-25-8-11-39%284%2924%2815-25%296-7-28-27%2839%299-12-40%285%2926%2810-13-41%2828%2C40%2947%2923-14-32%2845%2948-19-23%2Fh14%2C20-22%2C24-31%2C33-38%2C42-44%2C46-47H%2C6-13%2C15-19H2%2C1-5H3%2Ft20-%2C21-%2C22-%2C24-%2C25%2B%2C26-%2C27%2B%2C28%3F%2C29%2B%2C30%2B%2C31%2B%2C33%2B%2C34%2B%2C35%2B%2C36-%2C37-%2C38-%2C39%2B%2C40-%2C41%3F%2Fm1%2Fs1, 183.366897583008, 1.0, 0.0, 9.64164638519287, , 5.0, 5.0, 61.0, 0.0, 0.0, 0.0, -3.10509991645813, 7.0, 4.53999996185303, 118.0, 3.41499996185303 -InChI%3D1S%2FC22H22N6O7S2%2Fc1-22%282%2C20%2833%2934%2935-26-13%2812-10-37-21%2823%2924-12%2916%2829%2925-14-17%2830%2928-15%2819%2831%2932%2911%289-36-18%2814%2928%298-27-6-4-3-5-7-27%2Fh3-7%2C10%2C14%2C18H%2C8-9H2%2C1-2H3%2C%28H4-%2C23%2C24%2C25%2C29%2C31%2C32%2C33%2C34%29%2Ft14%3F%2C18-%2Fm1%2Fs1, 106.741500854492, 0.0, 3.0, 4.33514022827148, , 8.0, 4.0, 40.0, 6.0, 12.0, 0.0, -2.08209991455078, 9.0, 2.23000001907349, 62.0, 0.726000010967255 -InChI%3D1S%2FC29H36O4%2Fc1-18%2830%2929-25%2832-28%284%2C33-29%2919-8-6-5-7-9-19%2917-24-22-11-10-20-16-21%2831%2912-14-26%2820%2C2%2923%2822%2913-15-27%2824%2C29%293%2Fh5-9%2C16%2C22-25H%2C10-15%2C17H2%2C1-4H3%2Ft22%3F%2C23-%2C24-%2C25%2B%2C26%3F%2C27-%2C28%2B%2C29%3F%2Fm0%2Fs1, 100.972801208496, 1.0, 0.0, 0.0548028089106083, , 6.0, 0.0, 38.0, 6.0, 2.0, 6.0, 0.234099999070168, 2.0, 4.21000003814697, 69.0, 6.33199977874756 -InChI%3D1S%2FC18H19Cl2NO4%2Fc1-5-25-18%2823%2914-10%283%2921-9%282%2913%2817%2822%2924-4%2915%2814%2911-7-6-8-12%2819%2916%2811%2920%2Fh6-8%2C15%2C21H%2C5H2%2C1-4H3, 74.7667007446289, 0.0, 2.0, 3.75119423866272, , 11.0, 1.0, 26.0, 6.0, 5.0, 6.0, 1.93680000305176, 6.0, 2.67000007629395, 44.0, 4.42700004577637 -InChI%3D1S%2FC6H8ClNS%2Fc1-5-6%282-3-7%299-4-8-5%2Fh4H%2C2-3H2%2C1H3, 26.7653999328613, 0.0, 2.0, 2.24400401115417, , 5.0, 1.0, 9.0, 5.0, 3.0, 5.0, 1.49800002574921, 2.0, 1.78999996185303, 17.0, 2.03200006484985 -InChI%3D1S%2FC7H15NO3%2Fc1-8%282%2C3%295-6%289%294-7%2810%2911%2Fh6%2C9H%2C4-5H2%2C1-3H3, 37.255500793457, 0.0, 4.0, 6.34485721588135, , 3.0, 1.0, 10.0, 0.0, 11.0, 0.0, -2.51889991760254, 4.0, 1.78999996185303, 26.0, -1.74100005626678 -InChI%3D1S%2FC15H26N2%2Fc1-3-7-16-11-13-9-12%2814%2816%295-1%2910-17-8-4-2-6-15%2813%2917%2Fh12-15H%2C1-11H2%2Ft12%3F%2C13%3F%2C14-%2C15%2B, 59.3811988830566, 0.0, 0.0, 5.31671380996704, , 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, -2.30579996109009, 0.0, 2.89000010490417, 43.0, 2.11999988555908 -InChI%3D1S%2FC6H14O6%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-12H%2C1-2H2%2Ft3-%2C4-%2C5-%2C6-%2Fm1%2Fs1, 38.4035987854004, 1.0, 6.0, 8.64477634429932, , 0.0, 6.0, 11.0, 0.0, 12.0, 0.0, -2.94020009040833, 5.0, 1.46000003814697, 26.0, -3.89599990844727 -InChI%3D1S%2FC20H21NO4%2Fc1-22-17-4-3-12-7-16-14-9-19-18%2824-11-25-19%298-13%2814%295-6-21%2816%2910-15%2812%2920%2817%2923-2%2Fh3-4%2C8-9%2C16H%2C5-7%2C10-11H2%2C1-2H3, 47.1412010192871, 0.0, 0.0, 0.0104652903974056, , 8.0, 0.0, 29.0, 12.0, 2.0, 12.0, -0.102300003170967, 2.0, 3.10999989509583, 46.0, 2.47499990463257 -InChI%3D1S%2FC23H29N3O2S2%2Fc1-24%282%2930%2827%2C28%2918-10-11-23-21%2817-18%2919%2820-7-4-5-9-22%2820%2929-23%298-6-12-26-15-13-25%283%2914-16-26%2Fh4-5%2C7-11%2C17H%2C6%2C12-16H2%2C1-3H3, 77.3923034667969, 0.0, 3.0, 0.000876159989275038, , 18.0, 0.0, 33.0, 12.0, 6.0, 12.0, 0.0296000000089407, 5.0, 3.22000002861023, 59.0, 3.21600008010864 -InChI%3D1S%2FC20H24N2O6%2Fc1-11%282%2910-28-20%2824%2917-13%284%2921-12%283%2916%2819%2823%2927-5%2918%2817%2914-8-6-7-9-15%2814%2922%2825%2926%2Fh6-9%2C11%2C18%2C21H%2C10H2%2C1-5H3, 75.4107971191406, 0.0, 3.0, 0.401195555925369, , 11.0, 1.0, 29.0, 6.0, 7.0, 6.0, 0.633400022983551, 8.0, 2.77999997138977, 52.0, 4.98799991607666 -InChI%3D1S%2FC9H11NO2%2Fc10-8%289%2811%2912%296-7-4-2-1-3-5-7%2Fh1-5%2C8H%2C6%2C10H2%2C%28H%2C11%2C12%29, 19.6296005249023, 0.0, 3.0, 1.17592334747314, , 6.0, 2.0, 12.0, 6.0, 6.0, 6.0, -1.08440005779266, 3.0, 2.11999988555908, 23.0, 0.441000014543533 -InChI%3D1S%2FC16H12N4O9S2.3Na%2Fc21-15-13%2818-17-9-1-5-11%286-2-9%2930%2824%2C25%2926%2914%2816%2822%2923%2919-20%2815%2910-3-7-12%288-4-10%2931%2827%2C28%2929%3B%3B%3B%2Fh1-8%2C19H%2C%28H%2C22%2C23%29%28H%2C24%2C25%2C26%29%28H%2C27%2C28%2C29%29%3B%3B%3B%2Fq%3B3%2A%2B1%2Fp-3%2Fb18-17%2B%3B%3B%3B, , 1.0, 0.0, , , 14.0, 1.0, 33.0, 12.0, 3.0, 12.0, , 6.0, 1.24000000953674, 45.0, 0.305999994277954 -InChI%3D1S%2FC23H45N5O14%2Fc24-2-7-13%2832%2915%2834%2910%2827%2921%2837-7%2941-19-9%284-30%2939-23%2817%2819%2936%2942-20-12%2831%295%2825%291-6%2826%2918%2820%2940-22-11%2828%2916%2835%2914%2833%298%283-29%2938-22%2Fh5-23%2C29-36H%2C1-4%2C24-28H2%2Ft5-%2C6%2B%2C7%2B%2C8-%2C9-%2C10%3F%2C11-%2C12%2B%2C13-%2C14-%2C15-%2C16-%2C17-%2C18-%2C19%3F%2C20%3F%2C21-%2C22%3F%2C23%2B%2Fm1%2Fs1, 132.289001464844, 2.0, 0.0, 81.3513793945312, , 0.0, 13.0, 45.0, 0.0, 2.0, 0.0, -9.01949977874756, 9.0, 1.89999997615814, 87.0, -6.84700012207031 -InChI%3D1S%2FC6H12O6%2Fc7-1-3-4%289%295%2810%296%2811%2C2-8%2912-3%2Fh3-5%2C7-11H%2C1-2H2%2Ft3%3F%2C4-%2C5%2B%2C6-%2Fm1%2Fs1, 36.3608016967773, 0.0, 0.0, 6.57204484939575, , 0.0, 5.0, 12.0, 0.0, 2.0, 0.0, -2.56360006332397, 2.0, 1.46000003814697, 24.0, -1.74000000953674 -InChI%3D1S%2FC18H20N2S%2Fc1-19-11-10-14%2812-19%2913-20-15-6-2-4-8-17%2815%2921-18-9-5-3-7-16%2818%2920%2Fh2-9%2C14H%2C10-13H2%2C1H3, 39.1371994018555, 0.0, 0.0, 0.0255999993532896, , 13.0, 0.0, 24.0, 12.0, 0.0, 12.0, 0.159999996423721, 2.0, 3.10999989509583, 41.0, 4.38299989700317 -InChI%3D1S%2FC4H7NO4%2Fc5-2%284%288%299%291-3%286%297%2Fh2H%2C1%2C5H2%2C%28H%2C6%2C7%29%28H%2C8%2C9%29%2Ft2-%2Fm0%2Fs1, 26.5326995849609, 0.0, 4.0, 1.82736325263977, , 3.0, 3.0, 8.0, 0.0, 9.0, 0.0, -1.35179996490479, 3.0, 1.35000002384186, 16.0, -3.70700001716614 -InChI%3D1S%2FC16H23NO%2Fc1-13-6-8-15%289-7-13%2916%2818%2914%282%2912-17-10-4-3-5-11-17%2Fh6-9%2C14H%2C3-5%2C10-12H2%2C1-2H3, 45.9715995788574, 0.0, 3.0, 0.020448999479413, , 8.0, 0.0, 19.0, 6.0, 5.0, 6.0, -0.14300000667572, 4.0, 3.0, 41.0, 4.0939998626709 -InChI%3D1S%2FC20H32O%2Fc1-3-20%2821%2913-11-18-17-9-8-14-6-4-5-7-15%2814%2916%2817%2910-12-19%2818%2C20%292%2Fh6%2C15-18%2C21H%2C3-5%2C7-13H2%2C1-2H3%2Ft15-%2C16%2B%2C17%3F%2C18-%2C19-%2C20-%2Fm0%2Fs1, 83.0036010742188, 1.0, 2.0, 0.0635544136166573, , 2.0, 1.0, 24.0, 0.0, 2.0, 0.0, 0.252099990844727, 1.0, 3.54999995231628, 53.0, 6.09000015258789 -InChI%3D1S%2FC17H18FN3O3%2Fc18-13-7-11-14%288-15%2813%2920-5-3-19-4-6-20%2921%2810-1-2-10%299-12%2816%2811%2922%2917%2823%2924%2Fh7-10%2C19H%2C1-6H2%2C%28H%2C23%2C24%29, 58.9375, 0.0, 0.0, 1.27916097640991, , 10.0, 2.0, 27.0, 6.0, 2.0, 6.0, -1.13100004196167, 3.0, 2.55999994277954, 44.0, 0.612999975681305 -InChI%3D1S%2FC43H74N2O14%2Fc1-24-21-29%2819-20-46%2939%2859-42-37%2849%2936%2845%289%2910%2938%2827%284%2956-42%2958-35-23-43%286%2C51%2941%2850%2928%285%2955-35%2940%2852-11%2931%2847%2922-33%2848%2953-25%282%2915-13-12-14-16-32%2824%2957-34-18-17-30%2844%287%298%2926%283%2954-34%2Fh12-14%2C16%2C20%2C24-32%2C34-42%2C47%2C49-51H%2C15%2C17-19%2C21-23H2%2C1-11H3%2Fb13-12-%2C16-14-%2Ft24%3F%2C25-%2C26-%2C27-%2C28%2B%2C29%3F%2C30%2B%2C31-%2C32%2B%2C34-%2C35%2B%2C36-%2C37-%2C38-%2C39%2B%2C40%2B%2C41%2B%2C42%3F%2C43-%2Fm1%2Fs1, 212.918395996094, 2.0, 2.0, 5.18837261199951, , 4.0, 4.0, 62.0, 0.0, 3.0, 0.0, -2.2778000831604, 11.0, 4.42999982833862, 133.0, 1.92900002002716 -InChI%3D1S%2FC45H76N2O15%2Fc1-25-22-31%2820-21-48%2941%2862-44-39%2851%2938%2847%2810%2911%2940%2828%284%2958-44%2961-37-24-45%287%2C53%2943%2852%2929%285%2957-37%2942%2854-12%2934%2859-30%286%2949%2923-35%2850%2955-26%282%2916-14-13-15-17-33%2825%2960-36-19-18-32%2846%288%299%2927%283%2956-36%2Fh13-15%2C17%2C21%2C25-29%2C31-34%2C36-44%2C51-53H%2C16%2C18-20%2C22-24H2%2C1-12H3%2Fb14-13-%2C17-15-%2Ft25%3F%2C26-%2C27-%2C28-%2C29%2B%2C31%3F%2C32%2B%2C33%2B%2C34-%2C36-%2C37%2B%2C38-%2C39-%2C40-%2C41%2B%2C42%2B%2C43%2B%2C44%3F%2C45-%2Fm1%2Fs1, 222.069900512695, 2.0, 2.0, 3.60506176948547, , 4.0, 3.0, 65.0, 0.0, 4.0, 0.0, -1.89869999885559, 13.0, 4.53999996185303, 138.0, 2.66899991035461 -InChI%3D1S%2FC17H25N%2Fc1-4-10-16%2811-5-1%2917%2812-6-2-7-13-17%2918-14-8-3-9-15-18%2Fh1%2C4-5%2C10-11H%2C2-3%2C6-9%2C12-15H2, 40.9986000061035, 1.0, 0.0, 2.14710402488708, , 6.0, 0.0, 20.0, 6.0, 0.0, 6.0, -1.46529996395111, 2.0, 3.22000002861023, 43.0, 5.65700006484985 -InChI%3D1S%2FC13H9F3N2O2%2Fc14-13%2815%2C16%298-3-1-4-9%287-8%2918-11-10%2812%2819%2920%295-2-6-17-11%2Fh1-7H%2C%28H%2C17%2C18%29%28H%2C19%2C20%29, 16.9538993835449, 0.0, 0.0, 0.191756412386894, , 16.0, 2.0, 21.0, 12.0, 3.0, 12.0, 0.437900006771088, 4.0, 2.11999988555908, 29.0, 4.37200021743774 -InChI%3D1S%2FC8H13NO2%2Fc1-9-5-3-4-7%286-9%298%2810%2911-2%2Fh4H%2C3%2C5-6H2%2C1-2H3, 42.0176010131836, 0.0, 0.0, 0.0179828107357025, , 5.0, 0.0, 11.0, 0.0, 4.0, 0.0, 0.134100005030632, 2.0, 2.00999999046326, 24.0, 0.172000005841255 -InChI%3D1S%2FC10H15NO%2Fc1-8%2811-2%2910%2812%299-6-4-3-5-7-9%2Fh3-8%2C10-12H%2C1-2H3%2Ft8-%2C10-%2Fm0%2Fs1, 24.2558002471924, 0.0, 3.0, 0.685418426990509, , 6.0, 2.0, 12.0, 6.0, 6.0, 6.0, -0.827899992465973, 3.0, 2.33999991416931, 27.0, 2.51999998092651 -InChI%3D1S%2FC13H18O2%2Fc1-9%282%298-11-4-6-12%287-5-11%2910%283%2913%2814%2915%2Fh4-7%2C9-10H%2C8H2%2C1-3H3%2C%28H%2C14%2C15%29, 35.5957984924316, 1.0, 3.0, 0.900790810585022, , 6.0, 1.0, 15.0, 6.0, 5.0, 6.0, 0.949100017547607, 4.0, 2.67000007629395, 33.0, 5.34200000762939 -InChI%3D1S%2FC23H30O6%2Fc1-13%2824%2929-12-19%2827%2923%2828%299-7-17-16-5-4-14-10-15%2825%296-8-21%2814%2C2%2920%2816%2918%2826%2911-22%2817%2C23%293%2Fh10%2C16-17%2C20%2C28H%2C4-9%2C11-12H2%2C1-3H3%2Ft16%3F%2C17-%2C20%2B%2C21-%2C22-%2C23-%2Fm0%2Fs1, 104.634201049805, 0.0, 2.0, 0.401448965072632, , 4.0, 1.0, 32.0, 0.0, 7.0, 0.0, -0.633599996566772, 4.0, 3.32999992370605, 59.0, 0.45100000500679 -InChI%3D1S%2FC20H34O5%2Fc1-2-3-6-9-15%2821%2912-13-17-16%2818%2822%2914-19%2817%2923%2910-7-4-5-8-11-20%2824%2925%2Fh12-13%2C15-17%2C19%2C21%2C23H%2C2-11%2C14H2%2C1H3%2C%28H%2C24%2C25%29%2Fb13-12%2B%2Ft15-%2C16%2B%2C17%3F%2C19%3F%2Fm0%2Fs1, 83.9749984741211, 1.0, 8.0, 11.8026599884033, , 3.0, 3.0, 25.0, 0.0, 9.0, 0.0, -3.43549990653992, 13.0, 3.10999989509583, 59.0, 3.30599999427795 -InChI%3D1S%2FC11H11N5%2Fc12-10-7-6-9%2811%2813%2914-10%2916-15-8-4-2-1-3-5-8%2Fh1-7H%2C%28H4%2C12%2C13%2C14%29, 26.8635005950928, 0.0, 0.0, 2.28010010719299, , 8.0, 3.0, 17.0, 6.0, 2.0, 6.0, -1.50999999046326, 2.0, 2.11999988555908, 31.0, 3.03500008583069 -InChI%3D1S%2FC20H32O5%2Fc1-2-3-4-7-14%2821%2910-11-16-17-12-15%288-5-6-9-20%2823%2924%2925-19%2817%2913-18%2816%2922%2Fh8%2C10-11%2C14%2C16-19%2C21-22H%2C2-7%2C9%2C12-13H2%2C1H3%2C%28H%2C23%2C24%29%2Fb11-10%2B%2C15-8-%2Ft14-%2C16%2B%2C17%3F%2C18%2B%2C19-%2Fm0%2Fs1, 86.9664993286133, 0.0, 8.0, 8.48556900024414, , 3.0, 3.0, 26.0, 0.0, 9.0, 0.0, -2.91300010681152, 10.0, 3.10999989509583, 57.0, 2.9760000705719 -InChI%3D1S%2FC18H22N2S%2Fc1-14%2812-19%282%293%2913-20-15-8-4-6-10-17%2815%2921-18-11-7-5-9-16%2818%2920%2Fh4-11%2C14H%2C12-13H2%2C1-3H3, 42.9426002502441, 0.0, 3.0, 0.956875264644623, , 13.0, 0.0, 23.0, 12.0, 7.0, 12.0, 0.978200018405914, 4.0, 3.10999989509583, 43.0, 4.65799999237061 -InChI%3D1S%2FC20H24ClN3O2%2Fc1-26-19-12-18%2822%2917%2821%2911-16%2819%2920%2825%2923-15-7-9-24%2810-8-15%2913-14-5-3-2-4-6-14%2Fh2-6%2C11-12%2C15H%2C7-10%2C13%2C22H2%2C1H3%2C%28H%2C23%2C25%29, 51.7921981811523, 0.0, 0.0, 0.688070237636566, , 11.0, 2.0, 28.0, 12.0, 3.0, 12.0, -0.829500019550323, 5.0, 3.0, 50.0, 4.23299980163574 -InChI%3D1S%2FC20H21NO4%2Fc1-22-17-6-5-13%2810-18%2817%2923-2%299-16-15-12-20%2825-4%2919%2824-3%2911-14%2815%297-8-21-16%2Fh5-8%2C10-12H%2C9H2%2C1-4H3, 34.0177993774414, 0.0, 0.0, 0.0129960002377629, , 12.0, 0.0, 27.0, 17.0, 2.0, 16.0, 0.114000000059605, 6.0, 3.10999989509583, 46.0, 3.36299991607666 -InChI%3D1S%2FC16H18N2O5S%2Fc1-16%282%2912%2815%2821%2922%2918-13%2820%2911%2814%2818%2924-16%2917-10%2819%298-23-9-6-4-3-5-7-9%2Fh3-7%2C11-12%2C14H%2C8H2%2C1-2H3%2C%28H%2C17%2C19%29%28H%2C21%2C22%29%2Ft11%3F%2C12-%2C14%2B%2Fm0%2Fs1, 60.7028999328613, 0.0, 2.0, 0.0957283601164818, , 7.0, 2.0, 26.0, 6.0, 5.0, 6.0, -0.309399992227554, 5.0, 2.33999991416931, 42.0, 1.7389999628067 -InChI%3D1S%2FC2H6O%2Fc1-2-3%2Fh3H%2C2H2%2C1H3, 12.555100440979, 0.0, 2.0, 0.0115777598693967, , 0.0, 1.0, 2.0, 0.0, 3.0, 0.0, -0.107600003480911, 0.0, 1.57000005245209, 9.0, -0.0759999975562096 -InChI%3D1S%2FC8H8Cl3N3O4S2%2Fc9-3-1-4-6%282-5%283%2919%2812%2C15%2916%2920%2817%2C18%2914-8%2813-4%297%2810%2911%2Fh1-2%2C7-8%2C13-14H%2C%28H2%2C12%2C15%2C16%29, 49.7582015991211, 0.0, 0.0, 0.0472192913293839, , 15.0, 3.0, 21.0, 6.0, 3.0, 6.0, -0.217299997806549, 2.0, 1.01999998092651, 28.0, -0.0430000014603138 -InChI%3D1S%2FC25H37NO4%2Fc27-20-23-18-22%2813-14-24%2823%2928%2925%2829%2919-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21%2Fh3-5%2C10-11%2C13-14%2C18%2C25-29H%2C1-2%2C6-9%2C12%2C15-17%2C19-20H2, 61.9067993164062, 2.0, 6.0, 13.0566596984863, , 7.0, 4.0, 31.0, 12.0, 15.0, 12.0, -3.61339998245239, 16.0, 3.66000008583069, 67.0, 5.94099998474121 -InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2%2Ft3-%2C4-%2C5-%2C6-%2Fm1%2Fs1, 50.472599029541, 0.0, 6.0, 0.0585639998316765, , 0.0, 4.0, 11.0, 0.0, 12.0, 0.0, -0.241999998688698, 5.0, 1.46000003814697, 24.0, -0.272000014781952 -InChI%3D1S%2FC4H6N2S%2Fc1-6-3-2-5-4%286%297%2Fh2-3H%2C1H3%2C%28H%2C5%2C7%29, 17.2863006591797, 0.0, 0.0, 0.392502248287201, , 0.0, 1.0, 7.0, 5.0, 0.0, 0.0, 0.626500010490417, 0.0, 1.57000005245209, 13.0, 0.552999973297119 -InChI%3D1S%2FC12H14N4O4S%2Fc1-19-10-11%2814-7-15-12%2810%2920-2%2916-21%2817%2C18%299-5-3-8%2813%294-6-9%2Fh3-7H%2C13H2%2C1-2H3%2C%28H%2C14%2C15%2C16%29, 29.9953002929688, 0.0, 0.0, 3.20409989356995, , 19.0, 2.0, 22.0, 12.0, 4.0, 12.0, -1.78999996185303, 5.0, 1.78999996185303, 35.0, 0.35699999332428 -InChI%3D1S%2FC21H25NO%2Fc1-22-18-12-13-19%2822%2915-20%2814-18%2923-21%2816-8-4-2-5-9-16%2917-10-6-3-7-11-17%2Fh2-11%2C18-21H%2C12-15H2%2C1H3%2Ft18-%2C19-%2Fm1%2Fs1, 35.4518013000488, 1.0, 0.0, 1.93822085857391, , 6.0, 0.0, 26.0, 12.0, 2.0, 12.0, -1.39219999313354, 4.0, 3.54999995231628, 48.0, 6.84899997711182 -InChI%3D1S%2FC42H30N6O12%2Fc49-37%2825-7-1-13-43-19-25%2955-31-32%2856-38%2850%2926-8-2-14-44-20-26%2934%2858-40%2852%2928-10-4-16-46-22-28%2936%2860-42%2854%2930-12-6-18-48-24-30%2935%2859-41%2853%2929-11-5-17-47-23-29%2933%2831%2957-39%2851%2927-9-3-15-45-21-27%2Fh1-24%2C31-36H%2Ft31-%2C32-%2C33%3F%2C34%3F%2C35-%2C36%2B%2Fm0%2Fs1, 58.1375999450684, 2.0, 0.0, 0.720800995826721, , 9.0, 0.0, 66.0, 36.0, 3.0, 36.0, -0.848999977111816, 18.0, 4.09999990463257, 90.0, 4.71000003814697 -InChI%3D1S%2FC11H15ClO2%2Fc1-10%282%2C13%2911%283%2C14%298-4-6-9%2812%297-5-8%2Fh4-7%2C13-14H%2C1-3H3, 32.5483016967773, 0.0, 4.0, 0.327641755342484, , 6.0, 2.0, 14.0, 6.0, 7.0, 6.0, 0.572399973869324, 2.0, 2.33999991416931, 29.0, 2.49399995803833 -InChI%3D1S%2FC43H75NO16%2Fc1-15-29-43%2811%2C52%2936%2848%2924%285%2933%2847%2922%283%2920-41%289%2C51%2938%2825%286%2934%2826%287%2939%2850%2957-29%2959-32-21-42%2810%2C53-14%2937%2849%2927%288%2956-32%2960-40-35%2828%2844%2812%2913%2919-23%284%2955-40%2958-31%2846%2918-17-30%2845%2954-16-2%2Fh22-29%2C32%2C34-38%2C40%2C48-49%2C51-52H%2C15-21H2%2C1-14H3%2Ft22-%2C23-%2C24%2B%2C25%2B%2C26-%2C27%2B%2C28%2B%2C29-%2C32%2B%2C34%2B%2C35%3F%2C36-%2C37%2B%2C38-%2C40%2B%2C41-%2C42-%2C43-%2Fm1%2Fs1, 210.588500976562, 2.0, 4.0, 3.10358691215515, , 3.0, 4.0, 62.0, 0.0, 10.0, 0.0, -1.76170003414154, 14.0, 4.32000017166138, 135.0, 1.99500000476837 -InChI%3D1S%2FC10H13NO2%2Fc1-3-13-10-6-4-9%285-7-10%2911-8%282%2912%2Fh4-7H%2C3H2%2C1-2H3%2C%28H%2C11%2C12%29, 25.5104007720947, 0.0, 2.0, 0.0161036103963852, , 10.0, 1.0, 13.0, 6.0, 4.0, 6.0, 0.126900002360344, 3.0, 2.23000001907349, 26.0, 2.60800004005432 -InChI%3D1S%2FC13H19NO4S%2Fc1-3-9-14%2810-4-2%2919%2817%2C18%2912-7-5-11%286-8-12%2913%2815%2916%2Fh5-8H%2C3-4%2C9-10H2%2C1-2H3%2C%28H%2C15%2C16%29, 45.4058990478516, 0.0, 3.0, 2.64550232887268, , 13.0, 1.0, 19.0, 6.0, 10.0, 6.0, -1.62650001049042, 7.0, 2.23000001907349, 38.0, 2.30800008773804 -InChI%3D1S%2FC16H13N3O3%2Fc1-18-14-8-7-12%2819%2821%2922%299-13%2814%2916%2817-10-15%2818%2920%2911-5-3-2-4-6-11%2Fh2-9H%2C10H2%2C1H3, 27.1891002655029, 0.0, 0.0, 0.785882234573364, , 20.0, 0.0, 24.0, 12.0, 2.0, 12.0, -0.886500000953674, 2.0, 2.55999994277954, 35.0, 3.64299988746643 -InChI%3D1S%2FC16H14F3N3O2S%2Fc1-10-13%2820-7-6-14%2810%2924-9-16%2817%2C18%2919%298-25%2823%2915-21-11-4-2-3-5-12%2811%2922-15%2Fh2-7H%2C8-9H2%2C1H3%2C%28H%2C21%2C22%29, 32.1454010009766, 0.0, 2.0, 1.18374395370483, , 8.0, 2.0, 27.0, 16.0, 6.0, 12.0, 1.08800005912781, 6.0, 2.23000001907349, 38.0, 2.85500001907349 -InChI%3D1S%2FC24H30N2O2S%2Fc1-18%2828%2920-7-8-24-22%2817-20%2926%2821-5-2-3-6-23%2821%2929-24%2913-4-12-25-14-9-19%2810-15-25%2911-16-27%2Fh2-3%2C5-8%2C17%2C19%2C27H%2C4%2C9-16H2%2C1H3, 64.934700012207, 0.0, 3.0, 2.24190735816956, , 15.0, 1.0, 32.0, 12.0, 3.0, 12.0, -1.49730002880096, 7.0, 3.54999995231628, 59.0, 4.25 -InChI%3D1S%2FC10H12N4O5S.Na%2Fc1-14-7-4-8%2815%296%2812-13-10%2811%2916%292-5%287%293-9%2814%2920%2817%2C18%2919%3B%2Fh2%2C4%2C9H%2C3H2%2C1H3%2C%28H3%2C11%2C13%2C16%29%28H%2C17%2C18%2C19%29%3B%2Fq%3B%2B1%2Fp-1%2Fb12-6%2B%3B, , 0.0, 0.0, , , 13.0, 3.0, 21.0, 0.0, 5.0, 0.0, , 3.0, 1.35000002384186, 32.0, 0.40599998831749 -InChI%3D1S%2FC42H38O20%2Fc43-11-23-31%2847%2935%2851%2937%2853%2941%2861-23%2959-21-5-1-3-15-25%2817-7-13%2839%2855%2956%299-19%2845%2927%2817%2933%2849%2929%2815%2921%2926-16-4-2-6-22%2860-42-38%2854%2936%2852%2932%2848%2924%2812-44%2962-42%2930%2816%2934%2850%2928-18%2826%298-14%2840%2857%2958%2910-20%2828%2946%2Fh1-10%2C23-26%2C31-32%2C35-38%2C41-48%2C51-54H%2C11-12H2%2C%28H%2C55%2C56%29%28H%2C57%2C58%29%2Ft23-%2C24%3F%2C25-%2C26-%2C31-%2C32-%2C35%2B%2C36%2B%2C37-%2C38-%2C41%3F%2C42-%2Fm1%2Fs1, 107.664199829102, 2.0, 0.0, 40.2615623474121, , 19.0, 12.0, 69.0, 24.0, 2.0, 24.0, -6.3452000617981, 9.0, 3.88000011444092, 100.0, 0.662000000476837 -InChI%3D1S%2FC34H28N6O14S4.4Na%2Fc1-15-11-17%283-7-21%2815%2937-39-23-9-5-19-25%2855%2843%2C44%2945%2913-27%2857%2849%2C50%2951%2931%2835%2929%2819%2933%2823%2941%2918-4-8-22%2816%282%2912-18%2938-40-24-10-6-20-26%2856%2846%2C47%2948%2914-28%2858%2852%2C53%2954%2932%2836%2930%2820%2934%2824%2942%3B%3B%3B%3B%2Fh3-14%2C41-42H%2C35-36H2%2C1-2H3%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29%28H%2C49%2C50%2C51%29%28H%2C52%2C53%2C54%29%3B%3B%3B%3B%2Fq%3B4%2A%2B1%2Fp-4%2Fb39-37%2B%2C40-38%2B%3B%3B%3B%3B, , 1.0, 0.0, , , 56.0, 4.0, 63.0, 34.0, 3.0, 32.0, , 9.0, 2.11999988555908, 86.0, 4.69799995422363 -InChI%3D1S%2FC19H29IO2%2Fc1-3-22-19%2821%2914-9-7-5-4-6-8-11-16%282%2917-12-10-13-18%2820%2915-17%2Fh10%2C12-13%2C15-16H%2C3-9%2C11%2C14H2%2C1-2H3, 65.2342987060547, 2.0, 11.0, 0.142506256699562, , 6.0, 0.0, 22.0, 6.0, 15.0, 6.0, 0.377499997615814, 12.0, 3.22000002861023, 51.0, 8.46300029754639 -InChI%3D1S%2FC24H29NO4%2Fc1-5-26-21-10-9-17%2814-22%2821%2927-6-2%2913-20-19-16-24%2829-8-4%2923%2828-7-3%2915-18%2819%2911-12-25-20%2Fh9-12%2C14-16H%2C5-8%2C13H2%2C1-4H3, 51.193000793457, 1.0, 2.0, 1.24456334114075, , 12.0, 0.0, 31.0, 17.0, 3.0, 16.0, 1.11559998989105, 10.0, 3.54999995231628, 58.0, 5.05499982833862 -InChI%3D1S%2FC23H31NO2%2Fc1-6-22%2826-19%283%2925%2923%2817-18%282%2924%284%295%2C20-13-9-7-10-14-20%2921-15-11-8-12-16-21%2Fh7-16%2C18%2C22H%2C6%2C17H2%2C1-5H3, 54.9981994628906, 1.0, 7.0, 0.208848997950554, , 6.0, 0.0, 27.0, 12.0, 14.0, 12.0, -0.456999987363815, 9.0, 3.66000008583069, 57.0, 8.5939998626709 -InChI%3D1S%2FC24H28N2O5%2Fc1-2-31-24%2830%2920%2814-12-17-8-4-3-5-9-17%2925-19-15-13-18-10-6-7-11-21%2818%2926%2823%2819%2929%2916-22%2827%2928%2Fh3-11%2C19-20%2C25H%2C2%2C12-16H2%2C1H3%2C%28H%2C27%2C28%29%2Ft19-%2C20-%2Fm0%2Fs1, 61.0046005249023, 1.0, 4.0, 4.00240039825439, , 9.0, 2.0, 33.0, 12.0, 9.0, 12.0, -2.0006000995636, 10.0, 3.32999992370605, 59.0, 6.27600002288818 -InChI%3D1S%2FC12H9N3O%2Fc1-8-11%289-2-4-14-5-3-9%296-10%287-13%2912%2816%2915-8%2Fh2-6H%2C1H3%2C%28H%2C15%2C16%29, 14.4956998825073, 0.0, 0.0, 0.000193209998542443, , 15.0, 1.0, 17.0, 12.0, 2.0, 12.0, 0.0138999996706843, 1.0, 2.33999991416931, 25.0, 1.35000002384186 -InChI%3D1S%2FC19H23NO3%2Fc1-14%2819%2822%2915-7-4-3-5-8-15%2920-12-11-18%2821%2916-9-6-10-17%2813-16%2923-2%2Fh3-10%2C13-14%2C19-20%2C22H%2C11-12H2%2C1-2H3%2Ft14-%2C19-%2Fm0%2Fs1, 40.4822998046875, 0.0, 3.0, 1.43856036663055, , 9.0, 2.0, 24.0, 12.0, 9.0, 12.0, -1.19939994812012, 8.0, 3.10999989509583, 46.0, 3.99399995803833 -InChI%3D1S%2FC18H23NO3%2Fc1-13%2812-22-17-6-4-3-5-7-17%2919-14%282%2918%2821%2915-8-10-16%2820%2911-9-15%2Fh3-11%2C13-14%2C18-21H%2C12H2%2C1-2H3, 36.7515983581543, 0.0, 3.0, 2.34733033180237, , 7.0, 3.0, 23.0, 12.0, 9.0, 12.0, -1.5320999622345, 7.0, 3.0, 45.0, 3.73699998855591 -InChI%3D1S%2FC14H20N2O2%2Fc1-10%282%2916-8-11%2817%299-18-14-5-3-4-13-12%2814%296-7-15-13%2Fh3-7%2C10-11%2C15-17H%2C8-9H2%2C1-2H3, 35.5013008117676, 0.0, 3.0, 1.01969599723816, , 8.0, 3.0, 19.0, 10.0, 9.0, 6.0, -1.00979995727539, 6.0, 2.55999994277954, 37.0, 1.73199999332428 -InChI%3D1S%2FC24H20I6N4O8%2Fc1-31-21%2837%299-13%2825%2911%2823%2839%2940%2917%2829%2919%2815%289%2927%2933-7%2835%295-3-4-6-8%2836%2934-20-16%2828%2910%2822%2838%2932-2%2914%2826%2912%2818%2820%2930%2924%2841%2942%2Fh3-6H2%2C1-2H3%2C%28H%2C31%2C37%29%28H%2C32%2C38%29%28H%2C33%2C35%29%28H%2C34%2C36%29%28H%2C39%2C40%29%28H%2C41%2C42%29, 157.776000976562, 4.0, 6.0, 45.4302978515625, , 15.0, 6.0, 43.0, 12.0, 10.0, 12.0, 6.74020004272461, 11.0, 2.11999988555908, 62.0, 6.92399978637695 -InChI%3D1S%2FC19H19N%2Fc1-20-12-11-16-15-9-5-6-10-17%2815%2919%2818%2816%2913-20%2914-7-3-2-4-8-14%2Fh2-10%2C19H%2C11-13H2%2C1H3, 33.9967994689941, 1.0, 0.0, 0.288261622190475, , 8.0, 0.0, 23.0, 12.0, 0.0, 12.0, 0.536899983882904, 1.0, 3.44000005722046, 39.0, 6.41200017929077 -InChI%3D1S%2FC11H14N4O4%2Fc1-13-9-8%2810%2816%2914%282%2911%2813%2917%2915%286-12-9%295-7-18-3-4-19-7%2Fh6-7H%2C3-5H2%2C1-2H3, 49.7277984619141, 0.0, 0.0, 0.455085158348083, , 6.0, 1.0, 21.0, 5.0, 0.0, 0.0, -0.674600005149841, 2.0, 1.78999996185303, 33.0, -1.04100000858307 -InChI%3D1S%2FC23H20N2O3S%2Fc26-22-21%2816-17-29%2828%2920-14-8-3-9-15-20%2923%2827%2925%2819-12-6-2-7-13-19%2924%2822%2918-10-4-1-5-11-18%2Fh1-15%2C21H%2C16-17H2, 35.2935981750488, 0.0, 2.0, 4.89250183105469, , 18.0, 0.0, 32.0, 18.0, 4.0, 18.0, -2.21189999580383, 6.0, 3.32999992370605, 49.0, 4.96199989318848 -InChI%3D1S%2FC3H6O3%2Fc1-2%284%293%285%296%2Fh2%2C4H%2C1H3%2C%28H%2C5%2C6%29, 19.0053997039795, 0.0, 3.0, 0.649474799633026, , 3.0, 2.0, 5.0, 0.0, 6.0, 0.0, -0.805899977684021, 1.0, 1.46000003814697, 12.0, -0.591000020503998 -InChI%3D1S%2FC19H37N5O7%2Fc1-19%2827%297-28-18%2813%2826%2916%2819%2924-2%2931-15-11%2823%295-10%2822%2914%2812%2815%2925%2930-17-9%2821%294-3-8%286-20%2929-17%2Fh3%2C9-18%2C24-27H%2C4-7%2C20-23H2%2C1-2H3%2Ft9%3F%2C10-%2C11%2B%2C12-%2C13%2B%2C14%3F%2C15%3F%2C16%2B%2C17%3F%2C18%3F%2C19-%2Fm0%2Fs1, 108.063102722168, 2.0, 0.0, 27.9565982818604, , 3.0, 8.0, 33.0, 0.0, 2.0, 0.0, -5.28739976882935, 6.0, 2.23000001907349, 68.0, -3.62800002098083 -InChI%3D1S%2FC21H29FO5%2Fc1-18-7-5-13%2824%299-12%2818%293-4-15-14-6-8-20%2827%2C17%2826%2911-23%2919%2814%2C2%2910-16%2825%2921%2815%2C18%2922%2Fh9%2C14-16%2C23%2C25%2C27H%2C3-8%2C10-11H2%2C1-2H3%2Ft14%3F%2C15-%2C16-%2C18-%2C19-%2C20-%2C21%3F%2Fm0%2Fs1, 95.9692993164062, 0.0, 2.0, 0.796556234359741, , 4.0, 3.0, 30.0, 0.0, 4.0, 0.0, -0.892499983310699, 2.0, 3.10999989509583, 56.0, 0.372999995946884 -InChI%3D1S%2FC11H8O2%2Fc1-7-6-10%2812%298-4-2-3-5-9%288%2911%287%2913%2Fh2-6H%2C1H3, 25.2175006866455, 0.0, 0.0, 0.0783440098166466, , 12.0, 0.0, 14.0, 6.0, 0.0, 6.0, 0.279900014400482, 0.0, 2.45000004768372, 21.0, 2.14100003242493 -InChI%3D1S%2FC20H10Br4O10S2.2Na%2Fc21-15-13-14%2816%2822%2918%2824%2917%2815%2923%2920%2834-19%2813%2927%2C7-1-3-9%2825%2911%285-7%2935%2828%2C29%2930%298-2-4-10%2826%2912%286-8%2936%2831%2C32%2933%3B%3B%2Fh1-6%2C25-26H%2C%28H%2C28%2C29%2C30%29%28H%2C31%2C32%2C33%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2, , 1.0, 0.0, , , 11.0, 2.0, 39.0, 18.0, 3.0, 18.0, , 4.0, 1.67999994754791, 46.0, 5.23600006103516 -InChI%3D1S%2FC21H28O2%2Fc1-13%2822%2917-6-7-18-16-5-4-14-12-15%2823%298-10-20%2814%2C2%2919%2816%299-11-21%2817%2C18%293%2Fh4-5%2C12%2C16-19H%2C6-11H2%2C1-3H3%2Ft16%3F%2C17-%2C18%2B%2C19-%2C20%3F%2C21-%2Fm1%2Fs1, 93.6792984008789, 0.0, 0.0, 1.79238545894623, , 6.0, 0.0, 26.0, 0.0, 2.0, 0.0, 1.33879995346069, 1.0, 3.54999995231628, 51.0, 4.70800018310547 -InChI%3D1S%2FC20H24N2OS%2Fc1-4-22%285-2%2913-12-21-16-11-10-14%283%2920-18%2816%2919%2823%2915-8-6-7-9-17%2815%2924-20%2Fh6-11%2C21H%2C4-5%2C12-13H2%2C1-3H3, 54.2449989318848, 0.0, 2.0, 1.66461598873138, , 15.0, 1.0, 26.0, 12.0, 8.0, 12.0, 1.29019999504089, 6.0, 3.22000002861023, 48.0, 4.21600008010864 -InChI%3D1S%2FC16H21N3%2Fc1-18%282%2912-13-19%2816-10-6-7-11-17-16%2914-15-8-4-3-5-9-15%2Fh3-11H%2C12-14H2%2C1-2H3, 31.326000213623, 0.0, 2.0, 0.0706496387720108, , 7.0, 0.0, 20.0, 12.0, 7.0, 12.0, 0.265799999237061, 6.0, 2.89000010490417, 40.0, 4.26000022888184 -InChI%3D1S%2FC24H27NO5S%2Fc1-13-14%282%2921-18%2815%283%2920%2813%2926%299-10-24%284%2C30-21%2912-29-17-7-5-16%286-8-17%2911-19-22%2827%2925-23%2828%2931-19%2Fh5-8%2C19%2C26H%2C9-12H2%2C1-4H3%2C%28H%2C25%2C27%2C28%29, 73.5746994018555, 0.0, 0.0, 3.2569420337677, , 8.0, 2.0, 34.0, 12.0, 2.0, 12.0, 1.8047000169754, 5.0, 3.32999992370605, 58.0, 4.17399978637695 -InChI%3D1S%2FC7H16N2O2.ClH%2Fc1-6%2811-7%288%2910%295-9%282%2C3%294%3B%2Fh6H%2C5H2%2C1-4H3%2C%28H-%2C8%2C10%29%3B1H, 38.6487998962402, 0.0, 3.0, 1.77715563774109, , 4.0, 1.0, 10.0, 0.0, 11.0, 0.0, -1.33309996128082, 4.0, 1.67999994754791, 29.0, 1.13100004196167 -InChI%3D1S%2FC16H23NO2%2Fc1-3-19-15%2818%2916%2814-8-5-4-6-9-14%2910-7-12-17%282%2913-11-16%2Fh4-6%2C8-9H%2C3%2C7%2C10-13H2%2C1-2H3, 49.1506004333496, 0.0, 2.0, 0.00366024998947978, , 6.0, 0.0, 20.0, 6.0, 5.0, 6.0, 0.0604999996721745, 4.0, 2.89000010490417, 42.0, 4.18900012969971 -InChI%3D1S%2FC16H11ClN4%2Fc17-12-6-7-14-13%288-12%2916%2811-4-2-1-3-5-11%2918-9-15-20-19-10-21%2814%2915%2Fh1-8%2C10H%2C9H2, 19.6420993804932, 0.0, 0.0, 0.192984491586685, , 19.0, 0.0, 24.0, 17.0, 0.0, 17.0, 0.439300000667572, 1.0, 2.67000007629395, 32.0, 4.91200017929077 -InChI%3D1S%2FC33H30N4O2%2Fc1-4-9-30-35-31-21%282%2918-24%2832-34-27-12-7-8-13-28%2827%2936%2832%293%2919-29%2831%2937%2830%2920-22-14-16-23%2817-15-22%2925-10-5-6-11-26%2825%2933%2838%2939%2Fh5-8%2C10-19H%2C4%2C9%2C20H2%2C1-3H3%2C%28H%2C38%2C39%29, 40.6482009887695, 1.0, 3.0, 0.00031684001442045, , 18.0, 1.0, 44.0, 32.0, 3.0, 30.0, 0.0177999995648861, 7.0, 4.42999982833862, 69.0, 9.76500034332275 -InChI%3D1S%2FC10H15NO%2Fc1-8%2811-2%2910%2812%299-6-4-3-5-7-9%2Fh3-8%2C10-12H%2C1-2H3%2Ft8-%2C10%2B%2Fm0%2Fs1, 24.2558002471924, 0.0, 3.0, 0.685418426990509, , 6.0, 2.0, 12.0, 6.0, 6.0, 6.0, -0.827899992465973, 3.0, 2.33999991416931, 27.0, 2.51999998092651 -InChI%3D1S%2FC22H24ClN3OS2.ClH%2Fc23-16-6-7-20-18%2814-16%2926%2817-4-1-2-5-19%2817%2929-20%2911-3-10-25-12-8-22%289-13-25%2924-21%2827%2915-28-22%3B%2Fh1-2%2C4-7%2C14H%2C3%2C8-13%2C15H2%2C%28H%2C24%2C27%29%3B1H, 69.9212036132812, 1.0, 3.0, 0.758466839790344, , 13.0, 1.0, 33.0, 12.0, 3.0, 12.0, 0.870899975299835, 4.0, 3.0, 55.0, 5.05800008773804 -InChI%3D1S%2FC14H22N2O3%2Fc1-10%282%2916-8-12%2817%299-19-13-5-3-11%284-6-13%297-14%2815%2918%2Fh3-6%2C10%2C12%2C16-17H%2C7-9H2%2C1-2H3%2C%28H2%2C15%2C18%29, 48.5269012451172, 0.0, 3.0, 1.11640357971191, , 7.0, 4.0, 19.0, 6.0, 9.0, 6.0, -1.05659997463226, 8.0, 2.45000004768372, 41.0, 1.81200003623962 -InChI%3D1S%2FC14H23N3O10%2Fc18-10%2819%295-15%281-3-16%286-11%2820%2921%297-12%2822%2923%292-4-17%288-13%2824%2925%299-14%2826%2927%2Fh1-9H2%2C%28H%2C18%2C19%29%28H%2C20%2C21%29%28H%2C22%2C23%29%28H%2C24%2C25%29%28H%2C26%2C27%29, 86.4493026733398, 2.0, 2.0, 4.50288391113281, , 3.0, 5.0, 26.0, 0.0, 27.0, 0.0, -2.12199997901917, 16.0, 1.57000005245209, 50.0, -3.32100009918213 -InChI%3D1S%2FC22H23ClN2O8%2Fc1-21%2832%297-6-8-15%2825%282%293%2917%2828%2913%2820%2824%2931%2919%2830%2922%288%2C33%2918%2829%2911%287%2916%2827%2912-10%2826%295-4-9%2823%2914%2812%2921%2Fh4-5%2C7-8%2C15%2C26%2C28-29%2C32-33H%2C6H2%2C1-3H3%2C%28H2%2C24%2C31%29%2Ft7-%2C8-%2C15%3F%2C21-%2C22%3F%2Fm0%2Fs1, 93.1547012329102, 1.0, 0.0, 4.2786922454834, , 12.0, 7.0, 36.0, 6.0, 3.0, 6.0, -2.06850004196167, 2.0, 2.67000007629395, 56.0, 0.930999994277954 -InChI%3D1S%2FC17H17ClO6%2Fc1-8-5-9%2819%296-12%2823-4%2917%288%2916%2820%2913-10%2821-2%297-11%2822-3%2914%2818%2915%2813%2924-17%2Fh6-8H%2C5H2%2C1-4H3%2Ft8-%2C17%3F%2Fm1%2Fs1, 64.8328018188477, 0.0, 0.0, 0.0871430411934853, , 11.0, 0.0, 26.0, 6.0, 2.0, 6.0, -0.295199990272522, 3.0, 2.55999994277954, 41.0, 0.91100001335144 -InChI%3D1S%2FC18H18N8O7S3%2Fc1-25-18%2822-12%2828%2913%2829%2923-25%2936-4-6-3-34-15-9%2814%2830%2926%2815%2910%286%2916%2831%2932%2921-11%2827%298%2824-33-2%297-5-35-17%2819%2920-7%2Fh5%2C9%2C15H%2C3-4H2%2C1-2H3%2C%28H2%2C19%2C20%29%28H%2C21%2C27%29%28H%2C23%2C29%29%28H%2C31%2C32%29%2Ft9%3F%2C15-%2Fm1%2Fs1, 127.352897644043, 2.0, 2.0, 0.372954487800598, , 8.0, 6.0, 39.0, 0.0, 7.0, 0.0, -0.610700011253357, 9.0, 1.46000003814697, 58.0, -0.0219999998807907 -InChI%3D1S%2FC14H21N3O3%2Fc1-9%282%2915-7-12-4-3-10-5-11%288-18%2914%2817%2819%2920%296-13%2810%2916-12%2Fh5-6%2C9%2C12%2C15-16%2C18H%2C3-4%2C7-8H2%2C1-2H3, 47.8450012207031, 0.0, 0.0, 2.3972327709198, , 10.0, 3.0, 21.0, 6.0, 5.0, 6.0, -1.54830002784729, 5.0, 2.33999991416931, 41.0, 1.75199997425079 -InChI%3D1S%2FC18H22ClNO%2Fc1-16%2815-21-18-10-6-3-7-11-18%2920%2813-12-19%2914-17-8-4-2-5-9-17%2Fh2-11%2C16H%2C12-15H2%2C1H3, 38.2780990600586, 1.0, 3.0, 0.423410475254059, , 7.0, 0.0, 22.0, 12.0, 9.0, 12.0, 0.650699973106384, 8.0, 3.10999989509583, 43.0, 6.54899978637695 -InChI%3D1S%2FC22H23ClN2O2%2Fc1-2-27-22%2826%2925-12-9-15%2810-13-25%2920-19-8-7-18%2823%2914-17%2819%296-5-16-4-3-11-24-21%2816%2920%2Fh3-4%2C7-8%2C11%2C14H%2C2%2C5-6%2C9-10%2C12-13H2%2C1H3, 60.3361015319824, 0.0, 2.0, 3.05830144882202, , 14.0, 0.0, 30.0, 12.0, 5.0, 12.0, 1.74880003929138, 3.0, 3.32999992370605, 50.0, 4.26300001144409 -InChI%3D1S%2FC22H24FN3OS%2Fc23-17-9-7-16%288-10-17%2921%2827%296-3-13-25-14-11-18%2812-15-25%2926-20-5-2-1-4-19%2820%2924-22%2826%2928%2Fh1-2%2C4-5%2C7-10%2C18H%2C3%2C6%2C11-15H2%2C%28H%2C24%2C28%29, 51.524600982666, 0.0, 4.0, 0.00837225001305342, , 8.0, 1.0, 31.0, 16.0, 5.0, 12.0, -0.091499999165535, 6.0, 3.22000002861023, 52.0, 4.98600006103516 -InChI%3D1S%2FC10H14O2%2Fc1-10%282%2C3%298-6-7%2811%294-5-9%288%2912%2Fh4-6%2C11-12H%2C1-3H3, 24.2560005187988, 0.0, 0.0, 0.403987348079681, , 8.0, 2.0, 12.0, 6.0, 3.0, 6.0, 0.635599970817566, 1.0, 2.33999991416931, 26.0, 2.66499996185303 -InChI%3D1S%2FC8H15N7O2S3%2Fc9-6%2815-20%2812%2C16%2917%291-2-18-3-5-4-19-8%2813-5%2914-7%2810%2911%2Fh4H%2C1-3H2%2C%28H2%2C9%2C15%29%28H2%2C12%2C16%2C17%29%28H4%2C10%2C11%2C13%2C14%29, 60.6004981994629, 1.0, 3.0, 0.413963556289673, , 9.0, 7.0, 20.0, 5.0, 11.0, 5.0, -0.643400013446808, 9.0, 1.01999998092651, 35.0, 0.150999993085861 -InChI%3D1S%2FC16H24N2O2%2Fc1-3-13-11%282%2917-14-5-4-12%2816%2819%2915%2813%2914%2910-18-6-8-20-9-7-18%2Fh12%2C17H%2C3-10H2%2C1-2H3, 62.032299041748, 0.0, 2.0, 0.587062418460846, , 1.0, 1.0, 22.0, 5.0, 2.0, 0.0, 0.766200006008148, 3.0, 2.77999997138977, 43.0, 1.34700000286102 -InChI%3D1S%2FC4H10N2%2Fc1-2-6-4-3-5-1%2Fh5-6H%2C1-4H2, 25.4487991333008, 0.0, 0.0, 0.631071388721466, , 0.0, 2.0, 6.0, 0.0, 0.0, 0.0, -0.794399976730347, 0.0, 1.67999994754791, 16.0, -0.772000014781952 -InChI%3D1S%2FC23H31NO7%2Fc1-15%285-7-19%2825%2930-13-10-24-8-11-29-12-9-24%294-6-17-21%2826%2920-18%2814-31-23%2820%2927%2916%282%2922%2817%2928-3%2Fh4%2C26H%2C5-14H2%2C1-3H3, 94.2381973266602, 0.0, 6.0, 1.48986434936523, , 11.0, 1.0, 33.0, 6.0, 11.0, 6.0, 1.22060000896454, 10.0, 3.10999989509583, 62.0, 0.940999984741211 -InChI%3D1S%2FC20H25NOS%2Fc1-3-21%284-2%2915-16-23-20%2822%2919%2817-11-7-5-8-12-17%2918-13-9-6-10-14-18%2Fh5-14%2C19H%2C3-4%2C15-16H2%2C1-2H3, 48.6599998474121, 1.0, 2.0, 1.1325216293335, , 6.0, 0.0, 24.0, 12.0, 11.0, 12.0, 1.06420004367828, 9.0, 3.32999992370605, 48.0, 7.69500017166138 -InChI%3D1S%2FC26H28ClNO%2Fc1-3-28%284-2%2919-20-29-24-17-15-22%2816-18-24%2925%2821-11-7-5-8-12-21%2926%2827%2923-13-9-6-10-14-23%2Fh5-18H%2C3-4%2C19-20H2%2C1-2H3, 47.7372016906738, 1.0, 2.0, 1.50945794582367, , 21.0, 0.0, 31.0, 18.0, 8.0, 18.0, 1.228600025177, 9.0, 3.99000000953674, 57.0, 9.8459997177124 -InChI%3D1S%2FC12H16N2O3%2Fc1-12%288-6-4-3-5-7-8%299%2815%2913-11%2817%2914%282%2910%2812%2916%2Fh6H%2C3-5%2C7H2%2C1-2H3%2C%28H%2C13%2C15%2C17%29, 58.7187004089355, 0.0, 0.0, 0.335240989923477, , 8.0, 1.0, 18.0, 0.0, 0.0, 0.0, -0.578999996185303, 1.0, 2.23000001907349, 33.0, 1.51499998569489 -InChI%3D1S%2FC18H20N2%2Fc1-19-10-11-20-17-9-5-3-7-15%2817%2912-14-6-2-4-8-16%2814%2918%2820%2913-19%2Fh2-9%2C18H%2C10-13H2%2C1H3, 33.6282005310059, 0.0, 0.0, 0.324102491140366, , 7.0, 0.0, 23.0, 12.0, 0.0, 12.0, 0.5692999958992, 0.0, 3.22000002861023, 40.0, 4.71999979019165 -InChI%3D1S%2FC25H43N13O10%2Fc26-3-1-2-10%2827%294-16%2841%2932-12-6-30-23%2847%2918%2811-5-17%2842%2937-24%2828%2936-11%2938-20%2844%2913%287-31-25%2829%2948%2933-21%2845%2914%288-39%2935-22%2846%2915%289-40%2934-19%2812%2943%2Fh7%2C10-12%2C14-15%2C17-18%2C39-40%2C42H%2C1-6%2C8-9%2C26-27H2%2C%28H%2C30%2C47%29%28H%2C32%2C41%29%28H%2C33%2C45%29%28H%2C34%2C43%29%28H%2C35%2C46%29%28H%2C38%2C44%29%28H3%2C28%2C36%2C37%29%28H3%2C29%2C31%2C48%29%2Ft10%3F%2C11-%2C12%3F%2C14%3F%2C15%3F%2C17%2B%2C18%3F%2Fm1%2Fs1, 153.272094726562, 3.0, 6.0, 36.2199363708496, , 12.0, 17.0, 49.0, 0.0, 10.0, 0.0, -6.01830005645752, 11.0, 1.67999994754791, 91.0, -3.62800002098083 -InChI%3D1S%2FC18H13ClN2O%2Fc1-2-10-21-16-9-8-14%2819%2911-15%2816%2918%2820-12-17%2821%2922%2913-6-4-3-5-7-13%2Fh1%2C3-9%2C11H%2C10%2C12H2, 36.698600769043, 0.0, 3.0, 0.33477795124054, , 17.0, 0.0, 24.0, 12.0, 3.0, 12.0, 0.578599989414215, 2.0, 3.0, 35.0, 4.11999988555908 -InChI%3D1S%2FC22H29NO5%2Fc1-7-22%2823%282%293%2C17-11-9-8-10-12-17%2915-28-21%2824%2916-13-18%2825-4%2920%2827-6%2919%2814-16%2926-5%2Fh8-14H%2C7%2C15H2%2C1-6H3, 58.3559989929199, 0.0, 4.0, 0.29019770026207, , 12.0, 0.0, 29.0, 12.0, 10.0, 12.0, -0.538699984550476, 10.0, 3.22000002861023, 57.0, 4.59499979019165 -InChI%3D1S%2FC12H9F3N2O2%2Fc1-7-10%286-16-19-7%2911%2818%2917-9-4-2-8%283-5-9%2912%2813%2C14%2915%2Fh2-6H%2C1H3%2C%28H%2C17%2C18%29, 21.2276992797852, 0.0, 0.0, 0.560551702976227, , 9.0, 2.0, 20.0, 11.0, 3.0, 6.0, 0.748700022697449, 4.0, 2.00999999046326, 28.0, 3.54299998283386 -InChI%3D1S%2FC9H13NO%2Fc1-7%2810%296-8-2-4-9%2811%295-3-8%2Fh2-5%2C7%2C11H%2C6%2C10H2%2C1H3, 20.9486999511719, 0.0, 3.0, 1.31537961959839, , 7.0, 2.0, 11.0, 6.0, 4.0, 6.0, -1.14690005779266, 2.0, 2.23000001907349, 24.0, 1.56400001049042 -InChI%3D1S%2FC21H22N2O5S%2Fc1-4-28-13-10-9-11-7-5-6-8-12%2811%2914%2813%2917%2824%2922-15-18%2825%2923-16%2820%2826%2927%2921%282%2C3%2929-19%2815%2923%2Fh5-10%2C15-16%2C19H%2C4H2%2C1-3H3%2C%28H%2C22%2C24%29%28H%2C26%2C27%29%2Ft15%3F%2C16-%2C19%2B%2Fm0%2Fs1, 66.1314010620117, 0.0, 2.0, 0.060074009001255, , 14.0, 2.0, 32.0, 11.0, 3.0, 10.0, 0.245100006461143, 5.0, 2.89000010490417, 51.0, 3.89299988746643 -InChI%3D1S%2FC10H20N2S4%2Fc1-5-11%286-2%299%2813%2915-16-10%2814%2912%287-3%298-4%2Fh5-8H2%2C1-4H3, 86.4160003662109, 0.0, 2.0, 17.2839756011963, , 3.0, 0.0, 15.0, 0.0, 16.0, 0.0, 4.15740013122559, 9.0, 1.89999997615814, 36.0, 3.24000000953674 -InChI%3D1S%2FC20H25NO3%2Fc1-3-21%284-2%2915-16-24-19%2822%2920%2823%2C17-11-7-5-8-12-17%2918-13-9-6-10-14-18%2Fh5-14%2C23H%2C3-4%2C15-16H2%2C1-2H3, 43.4626998901367, 1.0, 2.0, 0.00893025007098913, , 6.0, 1.0, 25.0, 12.0, 12.0, 12.0, -0.0944999977946281, 9.0, 3.22000002861023, 49.0, 5.50899982452393 -InChI%3D1S%2FC5H8N4O3S2%2Fc1-3%2810%297-4-9%282%298-5%2813-4%2914%286%2C11%2912%2Fh1-2H3%2C%28H2%2C6%2C11%2C12%29, 50.1852989196777, 0.0, 2.0, 0.440364956855774, , 6.0, 2.0, 14.0, 0.0, 4.0, 0.0, -0.663600027561188, 2.0, 1.01999998092651, 24.0, -1.45000004768372 -InChI%3D1S%2FC5H9N3%2Fc6-2-1-5-3-7-4-8-5%2Fh3-4H%2C1-2%2C6H2%2C%28H%2C7%2C8%29, 11.8458995819092, 0.0, 2.0, 1.05329167842865, , 0.0, 3.0, 8.0, 5.0, 3.0, 0.0, -1.02629995346069, 2.0, 1.67999994754791, 16.0, -0.340999990701675 -InChI%3D1S%2FC5H6N2OS%2Fc1-3-2-4%288%297-5%289%296-3%2Fh2H%2C1H3%2C%28H2%2C6%2C7%2C8%2C9%29, 16.9887008666992, 0.0, 0.0, 0.24029603600502, , 7.0, 1.0, 9.0, 6.0, 0.0, 6.0, 0.490200012922287, 0.0, 1.57000005245209, 15.0, 0.925999999046326 -InChI%3D1S%2FC12H14N2O2%2Fc1-3-12%289-7-5-4-6-8-9%2910%2815%2914%282%2911%2816%2913-12%2Fh4-8H%2C3H2%2C1-2H3%2C%28H%2C13%2C16%29, 32.7290000915527, 0.0, 2.0, 0.381059288978577, , 6.0, 1.0, 17.0, 6.0, 2.0, 6.0, -0.617299973964691, 2.0, 2.33999991416931, 30.0, 2.88700008392334 -InChI%3D1S%2FC12H17NO3%2Fc1-4-13%285-2%2912%2815%299-6-7-10%2814%2911%288-9%2916-3%2Fh6-8%2C14H%2C4-5H2%2C1-3H3, 37.3028984069824, 0.0, 2.0, 0.194922253489494, , 11.0, 1.0, 16.0, 6.0, 7.0, 6.0, -0.441500008106232, 5.0, 2.33999991416931, 33.0, 1.40400004386902 -InChI%3D1S%2FC10H13N3%2Fc11-10%2812%2913-6-5-8-3-1-2-4-9%288%297-13%2Fh1-4H%2C5-7H2%2C%28H3%2C11%2C12%29, 25.0758991241455, 0.0, 0.0, 0.0363664887845516, , 6.0, 2.0, 14.0, 6.0, 3.0, 6.0, -0.190699994564056, 1.0, 2.23000001907349, 26.0, 3.24499988555908 -InChI%3D1S%2FC32H38N2O8%2Fc1-37-24-12-17%2813-25%2838-2%2929%2824%2939-3%2931%2835%2942-26-14-18-16-34-11-10-20-19-8-6-7-9-22%2819%2933-28%2820%2923%2834%2915-21%2818%2927%2830%2826%2940-4%2932%2836%2941-5%2Fh6-9%2C12-13%2C18%2C21%2C23%2C26-27%2C30%2C33H%2C10-11%2C14-16H2%2C1-5H3%2Ft18%3F%2C21-%2C23%2B%2C26%3F%2C27%3F%2C30-%2Fm0%2Fs1, 92.6419982910156, 0.0, 0.0, 0.153663992881775, , 12.0, 1.0, 47.0, 16.0, 4.0, 12.0, -0.391999989748001, 9.0, 3.88000011444092, 79.0, 3.54999995231628 -InChI%3D1S%2FC27H22Cl2N4%2Fc1-17%282%2930-24-16-27-25%2815-23%2824%2931-20-11-7-18%2828%298-12-20%2932-22-5-3-4-6-26%2822%2933%2827%2921-13-9-19%2829%2910-14-21%2Fh3-17%2C31H%2C1-2H3, 60.013599395752, 1.0, 0.0, 0.000243360002059489, , 14.0, 2.0, 37.0, 18.0, 4.0, 18.0, -0.015599999576807, 4.0, 3.76999998092651, 61.0, 6.97399997711182 -InChI%3D1S%2FC24H31N3OS%2Fc1-3-7-22%2828%2919-10-11-24-21%2818-19%2927%2820-8-4-5-9-23%2820%2929-24%2913-6-12-26-16-14-25%282%2915-17-26%2Fh4-5%2C8-11%2C18H%2C3%2C6-7%2C12-17H2%2C1-2H3, 72.0745010375977, 0.0, 4.0, 0.00234256009571254, , 15.0, 0.0, 32.0, 12.0, 5.0, 12.0, 0.0483999997377396, 7.0, 3.54999995231628, 60.0, 4.32800006866455 -InChI%3D1S%2FC16H24N2O3%2Fc1-16%282%2C3%2917-9-11%2819%2910-21-14-6-4-5-13-12%2814%297-8-15%2820%2918-13%2Fh4-6%2C11%2C17%2C19H%2C7-10H2%2C1-3H3%2C%28H%2C18%2C20%29, 57.6974983215332, 0.0, 3.0, 0.000163839999004267, , 10.0, 3.0, 22.0, 6.0, 10.0, 6.0, -0.0127999996766448, 6.0, 2.67000007629395, 45.0, 2.09400010108948 -InChI%3D1S%2FC19H29IO2%2Fc1-3-22-19%2821%2911-9-7-5-4-6-8-10-16%282%2917-12-14-18%2820%2915-13-17%2Fh12-16H%2C3-11H2%2C1-2H3, 65.2342987060547, 2.0, 11.0, 0.142506256699562, , 6.0, 0.0, 22.0, 6.0, 15.0, 6.0, 0.377499997615814, 12.0, 3.22000002861023, 51.0, 8.46300029754639 -InChI%3D1S%2FC18H28N2O%2Fc1-4-5-12-20-13-7-6-11-16%2820%2918%2821%2919-17-14%282%299-8-10-15%2817%293%2Fh8-10%2C16H%2C4-7%2C11-13H2%2C1-3H3%2C%28H%2C19%2C21%29, 55.5825004577637, 0.0, 4.0, 0.094249002635479, , 9.0, 1.0, 22.0, 6.0, 4.0, 6.0, -0.307000011205673, 5.0, 3.10999989509583, 49.0, 4.9060001373291 -InChI%3D1S%2FC6H8O6%2Fc7-1-2%288%295-3%289%294%2810%296%2811%2912-5%2Fh2%2C5%2C7-10H%2C1H2%2Ft2-%2C5%2B%2Fm0%2Fs1, 36.4584999084473, 0.0, 2.0, 3.09513640403748, , 7.0, 4.0, 12.0, 0.0, 4.0, 0.0, -1.75929999351501, 2.0, 1.46000003814697, 20.0, -0.178000003099442 -InChI%3D1S%2FC27H33N3O6S%2Fc1-27%282%2923-14-11-20%2836-3%2917-22%2823%2924%2831%2930%2825%2827%2932%2916-15-18-9-12-21%2813-10-18%2937%2834%2C35%2929-26%2833%2928-19-7-5-4-6-8-19%2Fh9-14%2C17%2C19H%2C4-8%2C15-16H2%2C1-3H3%2C%28H2%2C28%2C29%2C33%29, 79.9691009521484, 0.0, 2.0, 2.99601483345032, , 13.0, 2.0, 40.0, 12.0, 7.0, 12.0, -1.73090004920959, 8.0, 3.32999992370605, 70.0, 4.40100002288818 -InChI%3D1S%2FC23H32N2O5%2Fc1-3-30-23%2829%2918%2813-12-16-8-5-4-6-9-16%2924-15%282%2921%2826%2925-19-11-7-10-17%2819%2914-20%2825%2922%2827%2928%2Fh4-6%2C8-9%2C15%2C17-20%2C24H%2C3%2C7%2C10-14H2%2C1-2H3%2C%28H%2C27%2C28%29%2Ft15-%2C17-%2C18-%2C19%3F%2C20-%2Fm0%2Fs1, 78.8145980834961, 1.0, 4.0, 4.41126012802124, , 6.0, 2.0, 32.0, 6.0, 13.0, 6.0, -2.10030007362366, 11.0, 3.22000002861023, 62.0, 4.91599988937378 -InChI%3D1S%2FC21H22N2O2%2Fc24-18-10-16-19-13-9-17-21%286-7-22%2817%2911-12%2813%295-8-25-16%2914-3-1-2-4-15%2814%2923%2818%2920%2819%2921%2Fh1-5%2C13%2C16-17%2C19-20H%2C6-11H2%2Ft13%3F%2C16%3F%2C17-%2C19-%2C20-%2C21%3F%2Fm0%2Fs1, 67.8364028930664, 0.0, 0.0, 0.614812791347504, , 9.0, 0.0, 31.0, 6.0, 0.0, 6.0, -0.784099996089935, 0.0, 3.32999992370605, 47.0, 1.73099994659424 -InChI%3D1S%2FC23H25N5O5%2Fc1-30-18-11-14-15%2812-19%2818%2931-2%2925-23%2826-21%2814%2924%2928-9-7-27%288-10-28%2922%2829%2920-13-32-16-5-3-4-6-17%2816%2933-20%2Fh3-6%2C11-12%2C20H%2C7-10%2C13H2%2C1-2H3%2C%28H2%2C24%2C25%2C26%29, 70.4795989990234, 0.0, 0.0, 1.71898317337036, , 12.0, 3.0, 37.0, 12.0, 2.0, 12.0, -1.31110000610352, 5.0, 2.89000010490417, 60.0, 1.61199998855591 -InChI%3D1S%2FC14H20ClN3O3S%2Fc1-9-4-3-5-10%282%2918%289%2917-14%2819%2911-6-7-12%2815%2913%288-11%2922%2816%2C20%2921%2Fh6-10H%2C3-5H2%2C1-2H3%2C%28H%2C17%2C19%29%28H2%2C16%2C20%2C21%29, 55.4595985412598, 0.0, 0.0, 1.26067984104156, , 14.0, 2.0, 23.0, 6.0, 3.0, 6.0, -1.12279999256134, 3.0, 2.11999988555908, 42.0, 2.68799996376038 -InChI%3D1S%2FC9H13N3O3%2Fc10-7-3-4-12%289%2814%2911-7%298-2-1-6%285-13%2915-8%2Fh3-4%2C6%2C8%2C13H%2C1-2%2C5H2%2C%28H2%2C10%2C11%2C14%29%2Ft6-%2C8%2B%2Fm0%2Fs1, 48.1049995422363, 0.0, 0.0, 1.57728481292725, , 3.0, 4.0, 16.0, 0.0, 1.0, 0.0, -1.25590002536774, 2.0, 1.78999996185303, 32.0, -0.728999972343445 -InChI%3D1S%2FC16H16ClNO2S%2Fc1-20-16%2819%2915%2812-4-2-3-5-13%2812%2917%2918-8-6-14-11%2810-18%297-9-21-14%2Fh2-5%2C7%2C9%2C15H%2C6%2C8%2C10H2%2C1H3%2Ft15-%2Fm0%2Fs1, 43.9542999267578, 0.0, 2.0, 0.878718733787537, , 6.0, 0.0, 23.0, 11.0, 5.0, 11.0, 0.937399983406067, 4.0, 2.67000007629395, 37.0, 3.88599991798401 -InChI%3D1S%2FC29H38FN3O3%2Fc1-20%282%2928-23-12-11-22%2830%2918-21%2823%2913-14-29%2828%2C36-27%2834%2919-35-4%2915-17-33%283%2916-7-10-26-31-24-8-5-6-9-25%2824%2932-26%2Fh5-6%2C8-9%2C11-12%2C18%2C20%2C28H%2C7%2C10%2C13-17%2C19H2%2C1-4H3%2C%28H%2C31%2C32%29%2Ft28-%2C29%3F%2Fm0%2Fs1, 75.4636001586914, 2.0, 3.0, 0.0132710402831435, , 8.0, 2.0, 39.0, 16.0, 7.0, 12.0, -0.115199998021126, 12.0, 3.88000011444092, 73.0, 6.5460000038147 -InChI%3D1S%2FC18H33ClN2O5S%2Fc1-5-6-10-7-11%2821%283%298-10%2917%2825%2920-12%289%282%2919%2916-14%2823%2913%2822%2915%2824%2918%2826-16%2927-4%2Fh9-16%2C18%2C22-24H%2C5-8H2%2C1-4H3%2C%28H%2C20%2C25%29%2Ft9-%2C10%2B%2C11-%2C12%2B%2C13-%2C14%2B%2C15%3F%2C16%3F%2C18%2B%2Fm0%2Fs1, 103.411697387695, 0.0, 3.0, 0.222783997654915, , 3.0, 4.0, 28.0, 0.0, 7.0, 0.0, -0.472000002861023, 7.0, 2.45000004768372, 60.0, 2.05599999427795 -InChI%3D1S%2FC10H16N2O4S3%2Fc1-3-12-8-4-6%282%2918%2813%2C14%2910-7%288%295-9%2817-10%2919%2811%2C15%2916%2Fh5-6%2C8%2C12H%2C3-4H2%2C1-2H3%2C%28H2%2C11%2C15%2C16%29%2Ft6-%2C8-%2Fm0%2Fs1, 56.4733009338379, 0.0, 2.0, 1.38368165493011, , 12.0, 2.0, 20.0, 5.0, 3.0, 5.0, -1.17630004882812, 3.0, 1.57000005245209, 35.0, -0.508000016212463 -InChI%3D1S%2F2C26H28N3.C23H16O6%2Fc2%2A1-19-17-21%2820%282%2929%2819%2924-9-7-6-8-10-24%2911-13-23-14-12-22-18-25%2827%283%294%2915-16-26%2822%2928%2823%295%3B24-20-16%2814-7-3-1-5-12%2814%299-18%2820%2922%2826%2927%2911-17-15-8-4-2-6-13%2815%2910-19%2821%2817%2925%2923%2828%2929%2Fh2%2A6-18H%2C1-5H3%3B1-10%2C24-25H%2C11H2%2C%28H%2C26%2C27%29%28H%2C28%2C29%29%2Fq2%2A%2B1%3B%2Fp-2, 108.378997802734, 2.0, 2.0, 1.29777669906616, , 14.0, 4.0, 96.0, 66.0, 3.0, 44.0, -1.13919997215271, 12.0, 8.39000034332275, 159.0, 21.6380004882812 -InChI%3D1S%2FC43H66O14%2Fc1-21-38%2848%2933%2854-24%284%2944%2919-37%2851-21%2957-40-23%283%2953-36%2818-32%2840%2946%2956-39-22%282%2952-35%2817-31%2839%2945%2955-27-9-12-41%285%2926%2816-27%297-8-30-29%2841%2910-13-42%286%2928%2811-14-43%2830%2C42%2949%2925-15-34%2847%2950-20-25%2Fh15%2C21-23%2C26-33%2C35-40%2C45-46%2C48-49H%2C7-14%2C16-20H2%2C1-6H3%2Ft21-%2C22-%2C23-%2C26-%2C27%2B%2C28-%2C29%2B%2C30%3F%2C31%2B%2C32%2B%2C33%3F%2C35%2B%2C36%2B%2C37%2B%2C38-%2C39%3F%2C40%3F%2C41%3F%2C42-%2C43%2B%2Fm1%2Fs1, 192.518402099609, 1.0, 2.0, 7.43107604980469, , 5.0, 4.0, 64.0, 0.0, 4.0, 0.0, -2.7260000705719, 9.0, 4.65000009536743, 123.0, 3.7260000705719 -InChI%3D1S%2FC21H25ClN2O3%2Fc22-19-8-6-18%287-9-19%2921%2817-4-2-1-3-5-17%2924-12-10-23%2811-13-24%2914-15-27-16-20%2825%2926%2Fh1-9%2C21H%2C10-16H2%2C%28H%2C25%2C26%29, 56.4831008911133, 0.0, 2.0, 0.0377136394381523, , 6.0, 1.0, 29.0, 12.0, 7.0, 12.0, 0.194199994206429, 8.0, 3.10999989509583, 52.0, 4.21400022506714 -InChI%3D1S%2FC19H18N6O6S2.Na%2Fc1-24-19%2821-22-23-24%2933-8-11-7-32-17-12%2816%2828%2925%2817%2913%2811%2918%2829%2930%2920-15%2827%2914%2831-9-26%2910-5-3-2-4-6-10%3B%2Fh2-6%2C9%2C12%2C14%2C17H%2C7-8H2%2C1H3%2C%28H%2C20%2C27%29%28H%2C29%2C30%29%3B%2Fq%3B%2B1%2Fp-1%2Ft12%3F%2C14-%2C17-%3B%2Fm1.%2Fs1, , 1.0, 2.0, , , 8.0, 1.0, 36.0, 11.0, 7.0, 11.0, , 9.0, 1.89999997615814, 51.0, 1.44599997997284 -InChI%3D1S%2FC17H15N5O%2Fc1-3-21%2812%282%2923%2915-6-4-5-13%289-15%2916-7-8-19-17-14%2810-18%2911-20-22%2816%2917%2Fh4-9%2C11H%2C3H2%2C1-2H3, 31.9529991149902, 0.0, 2.0, 0.0503104887902737, , 20.0, 1.0, 25.0, 16.0, 6.0, 15.0, -0.224299997091293, 4.0, 2.67000007629395, 38.0, 2.20900011062622 -InChI%3D1S%2FC12H13NO2%2Fc1-12%289-6-4-3-5-7-9%298-10%2814%2913%282%2911%2812%2915%2Fh3-7H%2C8H2%2C1-2H3, 30.7514991760254, 0.0, 0.0, 0.121800996363163, , 6.0, 0.0, 16.0, 6.0, 0.0, 6.0, -0.349000006914139, 1.0, 2.45000004768372, 28.0, 2.57299995422363 -InChI%3D1S%2FC14H16N2O4%2Fc1-4-20-14%2819%2911-7%282%295-9-10%286-17%2915-16-13%2818%2912%289%298%2811%293%2Fh5%2C17H%2C4%2C6H2%2C1-3H3%2C%28H%2C16%2C18%29, 37.127799987793, 0.0, 2.0, 0.405259549617767, , 14.0, 2.0, 21.0, 11.0, 5.0, 10.0, 0.636600017547607, 4.0, 2.33999991416931, 36.0, 1.49500000476837 -InChI%3D1S%2FC25H22O10%2Fc1-32-17-6-11%282-4-14%2817%2928%2924-20%2810-26%2933-16-5-3-12%287-18%2816%2934-24%2925-23%2831%2922%2830%2921-15%2829%298-13%2827%299-19%2821%2935-25%2Fh2-9%2C20%2C23-29%2C31H%2C10H2%2C1H3%2Ft20%3F%2C23-%2C24-%2C25%3F%2Fm0%2Fs1, 48.57080078125, 0.0, 0.0, 11.3980512619019, , 11.0, 5.0, 39.0, 18.0, 2.0, 18.0, -3.37610006332397, 4.0, 3.10999989509583, 57.0, 0.660000026226044 -InChI%3D1S%2FC20H22ClN%2Fc21-20-10-8-17%289-11-20%2916-19%2818-6-2-1-3-7-18%2912-15-22-13-4-5-14-22%2Fh1-3%2C6-12H%2C4-5%2C13-16H2, 42.1729011535645, 1.0, 4.0, 0.892458081245422, , 8.0, 0.0, 24.0, 12.0, 4.0, 12.0, 0.944700002670288, 5.0, 3.44000005722046, 44.0, 7.34999990463257 -InChI%3D1S%2FC18H27NO2%2Fc1-4-14%282%2917%2815-8-6-5-7-9-15%2918%2820%2921-16-10-12-19%283%2913-11-16%2Fh5-9%2C14%2C16-17H%2C4%2C10-13H2%2C1-3H3, 54.4990997314453, 1.0, 5.0, 0.683598220348358, , 6.0, 0.0, 22.0, 6.0, 8.0, 6.0, -0.826799988746643, 6.0, 3.10999989509583, 48.0, 5.73600006103516 -InChI%3D1S%2FC17H21N4O9P%2Fc1-7-3-9-10%284-8%287%292%2921%2815-13%2818-9%2916%2825%2920-17%2826%2919-15%295-11%2822%2914%2824%2912%2823%296-30-31%2827%2C28%2929%2Fh3-4%2C11-12%2C14%2C22-24H%2C5-6H2%2C1-2H3%2C%28H%2C20%2C25%2C26%29%28H2%2C27%2C28%2C29%29%2Ft11-%2C12%2B%2C14-%2Fm0%2Fs1, 79.6380996704102, 2.0, 5.0, 3.6183648109436, , 8.0, 9.0, 33.0, 6.0, 13.0, 6.0, -1.9021999835968, 7.0, 1.78999996185303, 58.0, -2.7279999256134 -InChI%3D1S%2FC21H25N5O8S2%2Fc1-21%282%2914%2818%2829%2930%2926-16%2828%2913%2817%2826%2935-21%2922-15%2827%2912%2811-7-5-4-6-8-11%2923-19%2831%2924-9-10-25%2820%2824%2932%2936%283%2C33%2934%2Fh4-8%2C12-14%2C17H%2C9-10H2%2C1-3H3%2C%28H%2C22%2C27%29%28H%2C23%2C31%29%28H%2C29%2C30%29%2Ft12-%2C13%3F%2C14%2B%2C17-%2Fm1%2Fs1, 100.027397155762, 1.0, 2.0, 0.361441433429718, , 10.0, 3.0, 39.0, 6.0, 7.0, 6.0, -0.601199984550476, 7.0, 2.11999988555908, 61.0, 1.32400000095367 -InChI%3D1S%2FC23H32N2O%2Fc1-18%282%2925%285%2C19%283%294%2917-16-23%2822%2824%2926%2C20-12-8-6-9-13-20%2921-14-10-7-11-15-21%2Fh6-15%2C18-19H%2C16-17H2%2C1-5H3%2C%28H-%2C24%2C26%29%2Fp%2B1, 56.348201751709, 1.0, 4.0, 2.02037787437439, , 6.0, 2.0, 27.0, 12.0, 14.0, 12.0, -1.42139995098114, 8.0, 3.66000008583069, 59.0, 8.25 -InChI%3D1S%2FC29H44O3%2Fc1-3-4-5-6-7-8-9-10-11-28%2831%2932-27-17-16-26-25-14-12-21-20-22%2830%2913-15-23%2821%2924%2825%2918-19-29%2826%2C27%292%2Fh13%2C15%2C20%2C24-27%2C30H%2C3-12%2C14%2C16-19H2%2C1-2H3%2Ft24-%2C25%3F%2C26%2B%2C27%2B%2C29%2B%2Fm1%2Fs1, 90.0639038085938, 2.0, 11.0, 5.37590599060059, , 7.0, 1.0, 35.0, 6.0, 13.0, 6.0, -2.31859993934631, 11.0, 4.32000017166138, 76.0, 10.1909999847412 -InChI%3D1S%2FC19H21N%2Fc1-20-14-6-11-19-17-9-4-2-7-15%2817%2912-13-16-8-3-5-10-18%2816%2919%2Fh2-5%2C7-10%2C12-13%2C19-20H%2C6%2C11%2C14H2%2C1H3, 35.1706008911133, 1.0, 3.0, 3.99999998990097e-06, , 14.0, 1.0, 22.0, 12.0, 5.0, 12.0, -0.0020000000949949, 4.0, 3.44000005722046, 41.0, 8.58699989318848 -InChI%3D1S%2FC22H28NO3.BrH%2Fc1-3-23%282%2916-10-15-20%2817-23%2926-21%2824%2922%2825%2C18-11-6-4-7-12-18%2919-13-8-5-9-14-19%3B%2Fh4-9%2C11-14%2C20%2C25H%2C3%2C10%2C15-17H2%2C1-2H3%3B1H%2Fq%2B1%3B%2Fp-1, , 1.0, 2.0, , , 6.0, 1.0, 28.0, 12.0, 5.0, 12.0, , 6.0, 3.32999992370605, 55.0, 6.28800010681152 -InChI%3D1S%2FC10H12N4OS%2Fc1-7%2815%2913-9-4-2-8%283-5-9%296-12-14-10%2811%2916%2Fh2-6H%2C1H3%2C%28H%2C13%2C15%29%28H3%2C11%2C14%2C16%29, 38.8431015014648, 0.0, 0.0, 0.199719607830048, , 14.0, 3.0, 16.0, 6.0, 6.0, 6.0, 0.446900010108948, 4.0, 1.89999997615814, 28.0, 3.76500010490417 -InChI%3D1S%2FC22H29N3S2%2Fc1-3-26-18-9-10-22-20%2817-18%2925%2819-7-4-5-8-21%2819%2927-22%2912-6-11-24-15-13-23%282%2914-16-24%2Fh4-5%2C7-10%2C17H%2C3%2C6%2C11-16H2%2C1-2H3, 71.1529998779297, 0.0, 3.0, 2.12401485443115, , 13.0, 0.0, 30.0, 12.0, 3.0, 12.0, 1.45739996433258, 6.0, 3.32999992370605, 56.0, 4.72900009155273 -InChI%3D1S%2FC18H19N3O5S%2Fc1-2-3-10-8-27-17-13%2816%2824%2921%2817%2914%2810%2918%2825%2926%2920-15%2823%2912%2819%299-4-6-11%2822%297-5-9%2Fh2-7%2C12-13%2C17%2C22H%2C8%2C19H2%2C1H3%2C%28H%2C20%2C23%29%28H%2C25%2C26%29%2Fb3-2%2B%2Ft12-%2C13-%2C17-%2Fm1%2Fs1, 76.7300033569336, 0.0, 3.0, 1.02718222141266, , 10.0, 4.0, 29.0, 6.0, 5.0, 6.0, -1.01349997520447, 5.0, 2.45000004768372, 46.0, -1.57700002193451 -InChI%3D1S%2FC25H28O3%2Fc1-25-14-13-20-19-10-8-18%2828-24%2827%2916-5-3-2-4-6-16%2915-17%2819%297-9-21%2820%2922%2825%2911-12-23%2825%2926%2Fh2-6%2C8%2C10%2C15%2C20-23%2C26H%2C7%2C9%2C11-14H2%2C1H3%2Ft20-%2C21%3F%2C22%2B%2C23%2B%2C25%3F%2Fm1%2Fs1, 56.3232002258301, 1.0, 0.0, 0.0101404897868633, , 15.0, 1.0, 32.0, 12.0, 3.0, 12.0, -0.100699998438358, 3.0, 3.88000011444092, 56.0, 8.13199996948242 -InChI%3D1S%2FC16H19ClO2%2Fc17-15-9-13-11%286-7-12%2813%2916%2818%2919%298-14%2815%2910-4-2-1-3-5-10%2Fh8-10%2C12H%2C1-7H2%2C%28H%2C18%2C19%29, 46.214900970459, 1.0, 0.0, 0.000357209995854646, , 6.0, 1.0, 21.0, 6.0, 2.0, 6.0, 0.0188999995589256, 2.0, 2.89000010490417, 38.0, 5.16400003433228 -InChI%3D1S%2FC22H23ClN6O%2Fc1-2-3-8-20-24-21%2823%2919%2814-30%2929%2820%2913-15-9-11-16%2812-10-15%2917-6-4-5-7-18%2817%2922-25-27-28-26-22%2Fh4-7%2C9-12%2C30H%2C2-3%2C8%2C13-14H2%2C1H3%2C%28H%2C25%2C26%2C27%2C28%29, 35.6226997375488, 1.0, 4.0, 0.494068413972855, , 12.0, 6.0, 33.0, 22.0, 4.0, 17.0, -0.702899992465973, 8.0, 3.0, 52.0, 7.09800004959106 -InChI%3D1S%2FC21H21ClN2O8%2Fc1-24%282%2914-7-5-6-10%2816%2827%2912-9%2825%294-3-8%2822%2911%2812%2915%286%2926%2918%2829%2921%287%2C32%2919%2830%2913%2817%2814%2928%2920%2823%2931%2Fh3-4%2C6-7%2C14-15%2C25-26%2C28-29%2C32H%2C5H2%2C1-2H3%2C%28H2%2C23%2C31%29%2Ft6-%2C7-%2C14%3F%2C15-%2C21%3F%2Fm0%2Fs1, 87.7470016479492, 1.0, 0.0, 6.47855186462402, , 12.0, 7.0, 35.0, 6.0, 3.0, 6.0, -2.54530000686646, 2.0, 2.55999994277954, 53.0, 0.513999998569489 -InChI%3D1S%2FC19H28O2%2Fc1-18-9-7-15-14-6-4-13%2820%2911-12%2814%293-5-16%2815%2917%2818%298-10-19%2818%2C2%2921%2Fh11%2C14-17%2C21H%2C3-10H2%2C1-2H3%2Ft14%3F%2C15-%2C16%3F%2C17%2B%2C18%2B%2C19%2B%2Fm1%2Fs1, 82.3824996948242, 0.0, 0.0, 0.390625, , 4.0, 1.0, 24.0, 0.0, 0.0, 0.0, 0.625, 0.0, 3.32999992370605, 49.0, 3.64000010490417 -InChI%3D1S%2FC18H29NO2%2Fc1-18%282%2C3%2919-12-15%2820%2913-21-17-11-7-6-10-16%2817%2914-8-4-5-9-14%2Fh6-7%2C10-11%2C14-15%2C19-20H%2C4-5%2C8-9%2C12-13H2%2C1-3H3, 57.3361015319824, 0.0, 3.0, 0.159440487623215, , 7.0, 2.0, 22.0, 6.0, 10.0, 6.0, -0.399300009012222, 7.0, 3.10999989509583, 50.0, 4.79199981689453 -InChI%3D1S%2FC15H11N3O3%2Fc19-14-9-16-15%2810-4-2-1-3-5-10%2912-8-11%2818%2820%2921%296-7-13%2812%2917-14%2Fh1-8H%2C9H2%2C%28H%2C17%2C19%29, 22.5272998809814, 0.0, 0.0, 0.189747363328934, , 20.0, 1.0, 23.0, 12.0, 2.0, 12.0, -0.435600012540817, 2.0, 2.45000004768372, 32.0, 4.08799982070923 -InChI%3D1S%2FC17H19N3%2Fc1-3-7-15%288-4-1%2913-20%2814-17-18-11-12-19-17%2916-9-5-2-6-10-16%2Fh1-10H%2C11-14H2%2C%28H%2C18%2C19%29, 30.1084003448486, 0.0, 0.0, 0.730341136455536, , 7.0, 1.0, 22.0, 12.0, 3.0, 12.0, -0.854600012302399, 5.0, 3.0, 39.0, 4.94600009918213 -InChI%3D1S%2FC18H18ClN3O%2Fc1-21-8-10-22%2811-9-21%2918-14-12-13%2819%296-7-16%2814%2923-17-5-3-2-4-15%2817%2920-18%2Fh2-7%2C12H%2C8-11H2%2C1H3, 43.3768005371094, 0.0, 0.0, 0.0759002491831779, , 16.0, 0.0, 26.0, 12.0, 0.0, 12.0, 0.275499999523163, 1.0, 2.89000010490417, 41.0, 4.30800008773804 -InChI%3D1S%2FC16H16ClN3O4.H2O%2Fc17-9-6-7-10-12%2815%2822%2920%2810%2913%289%2916%2823%2924%2919-14%2821%2911%2818%298-4-2-1-3-5-8%3B%2Fh1-5%2C10-12H%2C6-7%2C18H2%2C%28H%2C19%2C21%29%28H%2C23%2C24%29%3B1H2%2Ft10-%2C11-%2C12%3F%3B%2Fm1.%2Fs1, 59.1287002563477, , 2.0, 2.93573951721191, , 8.0, 4.0, 26.0, 6.0, 5.0, 6.0, -1.71340000629425, 4.0, 2.23000001907349, 43.0, -InChI%3D1S%2FC13H8F2O3%2Fc14-8-2-3-9%2811%2815%296-8%297-1-4-12%2816%2910%285-7%2913%2817%2918%2Fh1-6%2C16H%2C%28H%2C17%2C18%29, 11.5289001464844, 0.0, 0.0, 0.067236490547657, , 16.0, 2.0, 19.0, 12.0, 2.0, 12.0, 0.259299993515015, 2.0, 2.33999991416931, 26.0, 3.38100004196167 -InChI%3D1S%2FC22H25N2OS.C10H16O4S%2Fc25-22-23%2814-17-8-3-1-4-9-17%2919-16-26-13-7-12-20%2826%2921%2819%2924%2822%2915-18-10-5-2-6-11-18%3B1-9%282%297-3-4-10%289%2C8%2811%295-7%296-15%2812%2C13%2914%2Fh1-6%2C8-11%2C19-21H%2C7%2C12-16H2%3B7H%2C3-6H2%2C1-2H3%2C%28H%2C12%2C13%2C14%29%2Fq%2B1%3B%2Fp-1, 96.4225006103516, 1.0, 0.0, 4.79128313064575, , 6.0, 0.0, 46.0, 12.0, 5.0, 12.0, -2.18889999389648, 6.0, 3.99000000953674, 81.0, 7.25500011444092 -InChI%3D1S%2FC10H11I2NO3%2Fc1-2-3-16-9%2814%296-13-4-7%2811%2910%2815%298%2812%295-13%2Fh4-5H%2C2-3%2C6H2%2C1H3, 76.5826034545898, 0.0, 3.0, 3.17053627967834, , 3.0, 0.0, 16.0, 0.0, 7.0, 0.0, 1.78059995174408, 5.0, 1.89999997615814, 31.0, 1.60199999809265 -InChI%3D1S%2FC20H14O4%2Fc21-15-9-5-13%286-10-15%2920%2814-7-11-16%2822%2912-8-14%2918-4-2-1-3-17%2818%2919%2823%2924-20%2Fh1-12%2C21-22H, 13.7238998413086, 0.0, 0.0, 1.68117153644562, , 9.0, 2.0, 27.0, 18.0, 0.0, 18.0, -1.29659998416901, 2.0, 3.22000002861023, 38.0, 4.90999984741211 -InChI%3D1S%2FC13H16N2O2%2Fc1-2-13%288-7-11%2816%2915-12%2813%2917%299-3-5-10%2814%296-4-9%2Fh3-6H%2C2%2C7-8%2C14H2%2C1H3%2C%28H%2C15%2C16%2C17%29, 39.8255996704102, 0.0, 2.0, 2.45517563819885, , 7.0, 2.0, 18.0, 6.0, 2.0, 6.0, -1.56690001487732, 2.0, 2.45000004768372, 33.0, 1.93099999427795 -InChI%3D1S%2FC9H5I2NO%2Fc10-6-4-7%2811%299%2813%298-5%286%292-1-3-12-8%2Fh1-4%2C13H, 30.4570007324219, 0.0, 0.0, 5.66392421722412, , 11.0, 1.0, 14.0, 11.0, 0.0, 10.0, 2.3798999786377, 0.0, 2.00999999046326, 18.0, 3.12199997901917 -InChI%3D1S%2FC20H26N2%2Fc1-20%282%2916-10-5-7-12-18%2816%2922%2815-9-14-21%283%294%2919-13-8-6-11-17%2819%2920%2Fh5-8%2C10-13H%2C9%2C14-15H2%2C1-4H3, 43.1501007080078, 1.0, 3.0, 0.775104165077209, , 13.0, 0.0, 24.0, 12.0, 6.0, 12.0, 0.880400002002716, 4.0, 3.44000005722046, 48.0, 6.0 -InChI%3D1S%2FC18H18N6O5S2%2Fc1-23-18%2820-21-22-23%2931-8-10-7-30-16-11%2815%2827%2924%2816%2912%2810%2917%2828%2929%2919-14%2826%2913%2825%299-5-3-2-4-6-9%2Fh2-6%2C11%2C13%2C16%2C25H%2C7-8H2%2C1H3%2C%28H%2C19%2C26%29%28H%2C28%2C29%29%2Ft11%3F%2C13-%2C16-%2Fm1%2Fs1, 77.5571975708008, 1.0, 2.0, 0.205390244722366, , 8.0, 3.0, 34.0, 11.0, 5.0, 11.0, -0.45320001244545, 7.0, 2.00999999046326, 49.0, 0.941999971866608 -InChI%3D1S%2FC10H13NO4%2Fc1-10%2811%2C9%2814%2915%295-6-2-3-7%2812%298%2813%294-6%2Fh2-4%2C12-13H%2C5%2C11H2%2C1H3%2C%28H%2C14%2C15%29%2Ft10-%2Fm0%2Fs1, 29.3607006072998, 0.0, 3.0, 2.05779027938843, , 8.0, 4.0, 15.0, 6.0, 7.0, 6.0, -1.43449997901917, 3.0, 2.00999999046326, 28.0, -2.00099992752075 -InChI%3D1S%2FC19H21NO%2Fc1-20%282%2913-7-11-17-16-9-4-3-8-15%2816%2914-21-19-12-6-5-10-18%2817%2919%2Fh3-6%2C8-12H%2C7%2C13-14H2%2C1-2H3, 37.3450012207031, 1.0, 3.0, 0.00505521008744836, , 15.0, 0.0, 23.0, 12.0, 6.0, 12.0, 0.0710999965667725, 3.0, 3.32999992370605, 42.0, 5.10500001907349 -InChI%3D1S%2FC17H19N3O%2Fc1-13-5-7-14%288-6-13%2920%2812-17-18-9-10-19-17%2915-3-2-4-16%2821%2911-15%2Fh2-8%2C11%2C21H%2C9-10%2C12H2%2C1H3%2C%28H%2C18%2C19%29, 33.4628982543945, 0.0, 0.0, 0.468540251255035, , 14.0, 2.0, 23.0, 12.0, 2.0, 12.0, -0.684499979019165, 4.0, 2.89000010490417, 40.0, 3.73000001907349 -InChI%3D1S%2FC24H31FO6%2Fc1-13-9-18-17-6-5-15-10-16%2827%297-8-21%2815%2C3%2923%2817%2C25%2919%2828%2911-22%2818%2C4%2924%2813%2C30%2920%2829%2912-31-14%282%2926%2Fh7-8%2C10%2C13%2C17-19%2C28%2C30H%2C5-6%2C9%2C11-12H2%2C1-4H3%2Ft13-%2C17-%2C18%3F%2C19-%2C21-%2C22-%2C23%3F%2C24-%2Fm0%2Fs1, 110.446800231934, 0.0, 2.0, 0.319112002849579, , 6.0, 2.0, 34.0, 0.0, 7.0, 0.0, -0.564899981021881, 4.0, 3.32999992370605, 62.0, 1.44900000095367 -InChI%3D1S%2FC3H9O6P%2Fc4-1-3%285%292-9-10%286%2C7%298%2Fh3-5H%2C1-2H2%2C%28H2%2C6%2C7%2C8%29, 30.8153991699219, 0.0, 3.0, 1.80606722831726, , 5.0, 4.0, 9.0, 0.0, 10.0, 0.0, -1.34389996528625, 4.0, 1.01999998092651, 19.0, -3.10899996757507 -InChI%3D1S%2FC25H30NO3.ClH%2Fc27-24%2825%2828%2C19-9-3-1-4-10-19%2920-11-5-2-6-12-20%2929-23-17-21-13-14-22%2818-23%2926%2821%2915-7-8-16-26%3B%2Fh1-6%2C9-12%2C21-23%2C28H%2C7-8%2C13-18H2%3B1H%2Fq%2B1%3B%2Fp-1%2Ft21-%2C22%2B%2C23%2B%3B, , 1.0, 2.0, , , 6.0, 1.0, 33.0, 12.0, 5.0, 12.0, , 5.0, 3.66000008583069, 60.0, 6.61299991607666 -InChI%3D1S%2FC17H22I3N3O8%2Fc1-6%2828%2915%2829%2923-14-12%2819%299%2816%2830%2921-7%282-24%293-25%2911%2818%2910%2813%2814%2920%2917%2831%2922-8%284-26%295-27%2Fh6-8%2C24-28H%2C2-5H2%2C1H3%2C%28H%2C21%2C30%29%28H%2C22%2C31%29%28H%2C23%2C29%29, 114.77010345459, 2.0, 3.0, 1.76783621311188, , 15.0, 8.0, 31.0, 6.0, 8.0, 6.0, 1.32959997653961, 10.0, 1.78999996185303, 53.0, 0.280000001192093 -InChI%3D1S%2FC7H4ClNO2%2Fc8-4-1-2-6-5%283-4%299-7%2810%2911-6%2Fh1-3H%2C%28H%2C9%2C10%29, 9.79930019378662, 0.0, 0.0, 0.0168740097433329, , 8.0, 2.0, 12.0, 10.0, 0.0, 6.0, 0.129899993538857, 0.0, 1.78999996185303, 15.0, 1.51699995994568 -InChI%3D1S%2FC15H15NO2%2Fc1-10-6-5-9-13%2811%2810%292%2916-14-8-4-3-7-12%2814%2915%2817%2918%2Fh3-9%2C16H%2C1-2H3%2C%28H%2C17%2C18%29, 21.5235004425049, 1.0, 0.0, 0.38912644982338, , 16.0, 2.0, 19.0, 12.0, 3.0, 12.0, 0.623799979686737, 3.0, 2.77999997138977, 33.0, 5.01100015640259 -InChI%3D1S%2FC10H15NO.ClH%2Fc1-4-11%282%2C3%299-6-5-7-10%2812%298-9%3B%2Fh5-8H%2C4H2%2C1-3H3%3B1H, 21.3838996887207, 0.0, 2.0, 2.82475256919861, , 8.0, 0.0, 12.0, 6.0, 5.0, 6.0, -1.68069994449615, 2.0, 2.23000001907349, 29.0, 2.17600011825562 -InChI%3D1S%2FC4H13NO7P2%2Fc5-3-1-2-4%286%2C13%287%2C8%299%2914%2810%2C11%2912%2Fh6H%2C1-3%2C5H2%2C%28H2%2C7%2C8%2C9%29%28H2%2C10%2C11%2C12%29, 42.8429985046387, 1.0, 4.0, 6.03783178329468, , 4.0, 6.0, 13.0, 0.0, 14.0, 0.0, -2.457200050354, 5.0, 0.800000011920929, 27.0, -4.2979998588562 -InChI%3D1S%2FC21H21ClN4OS%2Fc22-17-13-18-15%2812-20%2827%2923-18%2911-14%2817%295-6-25-7-9-26%2810-8-25%2921-16-3-1-2-4-19%2816%2928-24-21%2Fh1-4%2C11%2C13H%2C5-10%2C12H2%2C%28H%2C23%2C27%29, 60.2434997558594, 0.0, 2.0, 2.65070962905884, , 10.0, 2.0, 32.0, 16.0, 2.0, 15.0, 1.62810003757477, 4.0, 3.0, 49.0, 4.04400014877319 -InChI%3D1S%2FC16H20N2%2Fc1-18%282%2913-11-15%2814-8-4-3-5-9-14%2916-10-6-7-12-17-16%2Fh3-10%2C12%2C15H%2C11%2C13H2%2C1-2H3, 25.4881000518799, 1.0, 3.0, 0.0086304098367691, , 6.0, 0.0, 19.0, 12.0, 6.0, 12.0, -0.0929000005125999, 5.0, 3.0, 38.0, 5.24700021743774 -InChI%3D1S%2FC19H35N%2Fc1-3-9-16%2810-4-1%2919%2817-11-5-2-6-12-17%2915-18-13-7-8-14-20-18%2Fh16-20H%2C1-15H2, 68.2818984985352, 1.0, 2.0, 7.24417209625244, , 0.0, 1.0, 22.0, 0.0, 2.0, 0.0, -2.69149994850159, 4.0, 3.44000005722046, 55.0, 7.47100019454956 -InChI%3D1S%2FC20H22N4O10S%2Fc1-9%2825%2933-10%282%2934-19%2828%2915-11%287-32-20%2821%2929%298-35-18-14%2817%2827%2924%2815%2918%2922-16%2826%2913%2823-30-3%2912-5-4-6-31-12%2Fh4-6%2C10%2C14%2C18H%2C7-8H2%2C1-3H3%2C%28H2%2C21%2C29%29%28H%2C22%2C26%29%2Fb23-13-%2Ft10%3F%2C14%3F%2C18-%2Fm1%2Fs1, 99.8916015625, 2.0, 2.0, 0.0245235599577427, , 11.0, 3.0, 37.0, 5.0, 9.0, 5.0, 0.156599998474121, 12.0, 2.00999999046326, 57.0, 1.37699997425079 -InChI%3D1S%2FC2H6O3S2%2Fc3-7%284%2C5%292-1-6%2Fh6H%2C1-2H2%2C%28H%2C3%2C4%2C5%29, 29.035400390625, 0.0, 2.0, 5.32900012331083e-05, , 4.0, 1.0, 6.0, 0.0, 7.0, 0.0, -0.00730000017210841, 2.0, 1.12999999523163, 13.0, -0.230000004172325 -InChI%3D1S%2FC16H17N3O5S%2Fc1-7-6-25-15-11%2814%2822%2919%2815%2912%287%2916%2823%2924%2918-13%2821%2910%2817%298-2-4-9%2820%295-3-8%2Fh2-5%2C10-11%2C15%2C20H%2C6%2C17H2%2C1H3%2C%28H%2C18%2C21%29%28H%2C23%2C24%29%2Ft10-%2C11%3F%2C15-%2Fm1%2Fs1, 66.1809997558594, 0.0, 2.0, 1.63532948493958, , 8.0, 4.0, 27.0, 6.0, 5.0, 6.0, -1.27880001068115, 4.0, 2.23000001907349, 42.0, -2.6010000705719 -InChI%3D1S%2FC5H4N4O%2Fc10-5-3-1-8-9-4%283%296-2-7-5%2Fh1-2H%2C%28H2%2C6%2C7%2C8%2C9%2C10%29, 2.56459999084473, 0.0, 0.0, 0.211876094341278, , 9.0, 3.0, 11.0, 10.0, 0.0, 6.0, -0.460299998521805, 0.0, 1.46000003814697, 13.0, -0.405000001192093 -InChI%3D1S%2FC6H12O6%2Fc7-1-2-3%288%294%289%295%2810%296%2811%2912-2%2Fh2-11H%2C1H2%2Ft2%3F%2C3-%2C4%3F%2C5%2B%2C6%3F%2Fm0%2Fs1, 35.9234008789062, 0.0, 0.0, 6.31717967987061, , 0.0, 5.0, 12.0, 0.0, 2.0, 0.0, -2.51340007781982, 1.0, 1.46000003814697, 24.0, -1.69700002670288 -InChI%3D1S%2FC8H15N3O7%2Fc1-11%2810-17%298%2816%299-4-6%2814%295%2813%293%282-12%2918-7%284%2915%2Fh3-7%2C12-15H%2C2H2%2C1H3%2C%28H%2C9%2C16%29%2Ft3%3F%2C4%3F%2C5-%2C6-%2C7%2B%2Fm1%2Fs1, 56.0966987609863, 0.0, 0.0, 3.02725195884705, , 6.0, 5.0, 18.0, 0.0, 7.0, 0.0, -1.73989999294281, 4.0, 1.24000000953674, 33.0, -2.33699989318848 -InChI%3D1S%2FC6H14O6%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-12H%2C1-2H2%2Ft3-%2C4%2B%2C5-%2C6-%2Fm1%2Fs1, 38.4035987854004, 1.0, 6.0, 8.64477634429932, , 0.0, 6.0, 11.0, 0.0, 12.0, 0.0, -2.94020009040833, 5.0, 1.46000003814697, 26.0, -3.89599990844727 -InChI%3D1S%2FC26H29N3O6%2Fc1-17-22%2825%2830%2934-4%2924%2820-11-8-12-21%2815-20%2929%2832%2933%2923%2818%282%2927-17%2926%2831%2935-14-13-28%283%2916-19-9-6-5-7-10-19%2Fh5-12%2C15%2C24%2C27H%2C13-14%2C16H2%2C1-4H3, 79.1621017456055, 2.0, 2.0, 0.0396806411445141, , 11.0, 1.0, 37.0, 12.0, 8.0, 12.0, 0.199200004339218, 11.0, 3.32999992370605, 64.0, 6.6710000038147 -InChI%3D1S%2FC13H14Cl2O3%2Fc1-12%282%2C11%2816%2917%2918-9-5-3-8%284-6-9%2910-7-13%2810%2C14%2915%2Fh3-6%2C10H%2C7H2%2C1-2H3%2C%28H%2C16%2C17%29, 44.3660011291504, 0.0, 3.0, 1.53041636943817, , 7.0, 1.0, 19.0, 6.0, 7.0, 6.0, 1.23710000514984, 4.0, 2.33999991416931, 32.0, 3.59400010108948 -InChI%3D1S%2FC12H12N2O3%2Fc1-2-12%288-6-4-3-5-7-8%299%2815%2913-11%2817%2914-10%2812%2916%2Fh3-7H%2C2H2%2C1H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29, 34.4664001464844, 0.0, 2.0, 1.26247692108154, , 8.0, 2.0, 18.0, 6.0, 2.0, 6.0, -1.12360000610352, 2.0, 2.23000001907349, 29.0, 3.76099991798401 -InChI%3D1S%2FC15H17N7O5S3%2Fc1-21-14%2818-19-20-21%2930-6-8-5-29-13-15%2827-2%2C17-9%2823%297-28-4-3-16%2912%2826%2922%2813%2910%288%2911%2824%2925%2Fh13H%2C4-7H2%2C1-2H3%2C%28H%2C17%2C23%29%28H%2C24%2C25%29%2Ft13-%2C15%3F%2Fm1%2Fs1, 101.079498291016, 1.0, 2.0, 0.26132544875145, , 8.0, 2.0, 32.0, 5.0, 8.0, 5.0, 0.51120001077652, 9.0, 1.46000003814697, 47.0, -1.25800001621246 -InChI%3D1S%2FC21H29NO2%2Fc23-17-7-6-16-12-19-21%2824%299-2-1-8-20%2821%2C18%2816%2913-17%2910-11-22%2819%2914-15-4-3-5-15%2Fh6-7%2C13%2C15%2C19%2C23-24H%2C1-5%2C8-12%2C14H2%2Ft19-%2C20%2B%2C21-%2Fm1%2Fs1, 64.8486022949219, 0.0, 0.0, 2.59918880462646, , 7.0, 2.0, 28.0, 6.0, 0.0, 6.0, -1.61220002174377, 2.0, 3.44000005722046, 53.0, 3.66300010681152 -InChI%3D1S%2FC19H17ClF3NO4%2Fc1-12%2825%2924-10-11-27-18%2826%2917%2813-2-6-15%2820%297-3-13%2928-16-8-4-14%285-9-16%2919%2821%2C22%2923%2Fh2-9%2C17H%2C10-11H2%2C1H3%2C%28H%2C24%2C25%29, 46.4221992492676, 1.0, 2.0, 1.36282277107239, , 7.0, 1.0, 29.0, 12.0, 11.0, 12.0, 1.16740000247955, 9.0, 2.55999994277954, 45.0, 5.56099987030029 -InChI%3D1S%2FC22H28N2O2%2Fc1-2-26-21%2825%2922%2819-6-4-3-5-7-19%2913-16-24%2817-14-22%2915-12-18-8-10-20%2823%2911-9-18%2Fh3-11H%2C2%2C12-17%2C23H2%2C1H3, 53.5148010253906, 1.0, 2.0, 0.00187488994561136, , 7.0, 1.0, 28.0, 12.0, 5.0, 12.0, -0.0432999990880489, 7.0, 3.44000005722046, 54.0, 5.43400001525879 -InChI%3D1S%2FC15H22N2O4%2Fc1-19-12-7-10%288-13%2820-2%2914%2812%2921-3%2915%2818%2917-11-5-4-6-16-9-11%2Fh7-8%2C11%2C16H%2C4-6%2C9H2%2C1-3H3%2C%28H%2C17%2C18%29, 52.2759017944336, 0.0, 0.0, 1.88430523872375, , 12.0, 2.0, 22.0, 6.0, 3.0, 6.0, -1.37269997596741, 5.0, 2.45000004768372, 43.0, 1.13199996948242 -InChI%3D1S%2FC41H67NO15%2Fc1-19-17-41%2818-49-41%2938%2846%2923%285%2934%2853-27%289%2943%2921%283%2925%287%2952-39%2847%2924%286%2935%2856-32-16-31%2848-14%2936%2826%288%2951-32%2954-28%2810%2944%2922%284%2933%2819%2957-40-37%2855-29%2811%2945%2930%2842%2812%2913%2915-20%282%2950-40%2Fh19-26%2C30-37%2C40H%2C15-18H2%2C1-14H3%2Ft19-%2C20%2B%2C21-%2C22%2B%2C23%2B%2C24%2B%2C25%2B%2C26-%2C30-%2C31%3F%2C32-%2C33-%2C34-%2C35%3F%2C36-%2C37%2B%2C40%3F%2C41-%2Fm0%2Fs1, 196.536697387695, 2.0, 0.0, 1.17896163463593, , 3.0, 0.0, 60.0, 0.0, 4.0, 0.0, -1.08580005168915, 12.0, 4.21000003814697, 124.0, 2.91599988937378 -InChI%3D1S%2FC7H10N4O2S%2Fc8-5-1-3-6%284-2-5%2914%2812%2C13%2911-7%289%2910%2Fh1-4H%2C8H2%2C%28H4%2C9%2C10%2C11%29, 24.0634002685547, 0.0, 0.0, 2.70470905303955, , 14.0, 4.0, 14.0, 6.0, 7.0, 6.0, -1.64460003376007, 3.0, 1.46000003814697, 24.0, 0.232999995350838 -InChI%3D1S%2FC31H48O6%2Fc1-17%282%299-8-10-20%2828%2835%2936%2926-22-15-24%2834%2927-29%285%2913-12-23%2833%2918%283%2921%2829%2911-14-30%2827%2C6%2931%2822%2C7%2916-25%2826%2937-19%284%2932%2Fh9%2C18%2C21-25%2C27%2C33-34H%2C8%2C10-16H2%2C1-7H3%2C%28H%2C35%2C36%29%2Fb26-20-%2Ft18-%2C21-%2C22-%2C23%2B%2C24%2B%2C25-%2C27-%2C29%3F%2C30-%2C31-%2Fm0%2Fs1, 142.003402709961, 1.0, 7.0, 2.63185739517212, , 5.0, 3.0, 40.0, 0.0, 10.0, 0.0, 1.62230002880096, 6.0, 4.21000003814697, 85.0, 5.90399980545044 -InChI%3D1S%2FC22H30O5%2Fc1-12-8-14-15-5-7-22%2827%2C18%2826%2911-23%2921%2815%2C3%2910-17%2825%2919%2814%2920%282%296-4-13%2824%299-16%2812%2920%2Fh4%2C6%2C9%2C12%2C14-15%2C17%2C19%2C23%2C25%2C27H%2C5%2C7-8%2C10-11H2%2C1-3H3%2Ft12-%2C14%3F%2C15-%2C17-%2C19%2B%2C20%3F%2C21%3F%2C22-%2Fm0%2Fs1, 101.279098510742, 0.0, 2.0, 0.960204005241394, , 6.0, 3.0, 30.0, 0.0, 4.0, 0.0, -0.979900002479553, 2.0, 3.32999992370605, 57.0, 1.52499997615814 -InChI%3D1S%2FC19H23NO2%2Fc1-14%282%2912-16-7-9-17%2810-8-16%2915%283%2919%2821%2922-13-18-6-4-5-11-20-18%2Fh4-11%2C14-15H%2C12-13H2%2C1-3H3, 39.3804016113281, 1.0, 3.0, 1.23076832294464, , 6.0, 0.0, 23.0, 12.0, 6.0, 12.0, 1.10940003395081, 7.0, 3.22000002861023, 45.0, 6.92700004577637 -InChI%3D1S%2FC20H17FO3S%2Fc1-12-17%289-13-3-6-15%287-4-13%2925%282%2924%2916-8-5-14%2821%2910-19%2816%2918%2812%2911-20%2822%2923%2Fh3-10H%2C11H2%2C1-2H3%2C%28H%2C22%2C23%29, 49.9818992614746, 0.0, 2.0, 0.716731548309326, , 18.0, 1.0, 27.0, 12.0, 4.0, 12.0, 0.846599996089935, 4.0, 3.10999989509583, 42.0, 4.25799989700317 -InChI%3D1S%2FC25H36O3%2Fc1-3-4-5-6-7-24%2827%2928-23-13-12-22-21-10-8-17-16-18%2826%299-11-19%2817%2920%2821%2914-15-25%2822%2C23%292%2Fh9%2C11%2C16%2C20-23%2C26H%2C3-8%2C10%2C12-15H2%2C1-2H3%2Ft20-%2C21%3F%2C22%2B%2C23%2B%2C25%2B%2Fm1%2Fs1, 78.4175033569336, 1.0, 7.0, 1.36095559597015, , 7.0, 1.0, 31.0, 6.0, 9.0, 6.0, -1.16659998893738, 7.0, 3.88000011444092, 64.0, 7.91499996185303 -InChI%3D1S%2FC16H23NO%2Fc1-16-8-4-2-3-5-12%2815%2816%2917%299-11-6-7-13%2818%2910-14%2811%2916%2Fh6-7%2C10%2C12%2C15%2C18H%2C2-5%2C8-9%2C17H2%2C1H3%2Ft12%3F%2C15-%2C16%2B%2Fm0%2Fs1, 43.9165992736816, 0.0, 0.0, 2.30827260017395, , 7.0, 2.0, 20.0, 6.0, 0.0, 6.0, -1.51929998397827, 0.0, 3.0, 41.0, 3.90300011634827 -InChI%3D1S%2FC18H26N2O4%2Fc1-3-12-20%2813-4-2%2918%2824%2915%2810-11-16%2821%2922%2919-17%2823%2914-8-6-5-7-9-14%2Fh5-9%2C15H%2C3-4%2C10-13H2%2C1-2H3%2C%28H%2C19%2C23%29%28H%2C21%2C22%29, 60.9658012390137, 1.0, 5.0, 3.30039882659912, , 9.0, 2.0, 24.0, 6.0, 18.0, 6.0, -1.81669998168945, 11.0, 2.77999997138977, 50.0, 3.51300001144409 -InChI%3D1S%2FC47H74O19%2Fc1-20-41%2864-36-16-30%2850%2942%2821%282%2960-36%2965-37-17-31%2851%2943%2822%283%2961-37%2966-44-40%2856%2939%2855%2938%2854%2932%2818-48%2963-44%2929%2849%2915-35%2859-20%2962-25-8-10-45%284%2924%2813-25%296-7-27-28%2845%2914-33%2852%2946%285%2926%289-11-47%2827%2C46%2957%2923-12-34%2853%2958-19-23%2Fh12%2C20-22%2C24-33%2C35-44%2C48-52%2C54-57H%2C6-11%2C13-19H2%2C1-5H3%2Ft20-%2C21-%2C22-%2C24-%2C25%2B%2C26-%2C27-%2C28%2B%2C29%2B%2C30%2B%2C31%2B%2C32%3F%2C33-%2C35%2B%2C36%2B%2C37%2B%2C38-%2C39%2B%2C40-%2C41%3F%2C42%3F%2C43%3F%2C44%3F%2C45%3F%2C46%2B%2C47%3F%2Fm1%2Fs1, 216.877304077148, 2.0, 0.0, 29.4317092895508, , 5.0, 9.0, 74.0, 0.0, 2.0, 0.0, -5.42509984970093, 10.0, 4.53999996185303, 140.0, 0.637000024318695 -InChI%3D1S%2FC14H19NO2%2Fc1-17-14%2816%2913%2811-7-3-2-4-8-11%2912-9-5-6-10-15-12%2Fh2-4%2C7-8%2C12-13%2C15H%2C5-6%2C9-10H2%2C1H3, 35.7549018859863, 0.0, 2.0, 2.12197494506836, , 6.0, 1.0, 18.0, 6.0, 5.0, 6.0, -1.45669996738434, 4.0, 2.67000007629395, 36.0, 4.21500015258789 -InChI%3D1S%2FC18H18N2O%2Fc1-12%282%2920-16-11-13%283%299-10-15%2816%2917%2819-18%2820%2921%2914-7-5-4-6-8-14%2Fh4-12H%2C1-3H3, 34.037899017334, 1.0, 0.0, 0.000259210006333888, , 10.0, 0.0, 23.0, 12.0, 2.0, 12.0, 0.016100000590086, 2.0, 3.10999989509583, 41.0, 5.66499996185303 -InChI%3D1S%2FC27H38O6%2Fc1-24%282%2C3%2914-22%2831%2933-15-21%2830%2927%2832%2911-9-19-18-7-6-16-12-17%2828%298-10-25%2816%2C4%2923%2818%2920%2829%2913-26%2819%2C27%295%2Fh8%2C10%2C12%2C18-20%2C23%2C29%2C32H%2C6-7%2C9%2C11%2C13-15H2%2C1-5H3%2Ft18%3F%2C19-%2C20-%2C23%2B%2C25%3F%2C26-%2C27-%2Fm0%2Fs1, 124.598701477051, 0.0, 4.0, 1.21550619602203, , 6.0, 2.0, 36.0, 0.0, 11.0, 0.0, 1.10249996185303, 6.0, 3.76999998092651, 71.0, 3.26799988746643 -InChI%3D1S%2FC19H32N2O5%2Fc1-4-8-14%2819%2825%2926-5-2%2920-12%283%2917%2822%2921-15-10-7-6-9-13%2815%2911-16%2821%2918%2823%2924%2Fh12-16%2C20H%2C4-11H2%2C1-3H3%2C%28H%2C23%2C24%29%2Ft12-%2C13-%2C14-%2C15%3F%2C16-%2Fm0%2Fs1, 85.6710968017578, 0.0, 5.0, 7.22211885452271, , 3.0, 2.0, 27.0, 0.0, 14.0, 0.0, -2.68740010261536, 10.0, 2.77999997138977, 58.0, 2.57800006866455 -InChI%3D1S%2FC19H25NO2%2Fc1-14%288-9-16-6-4-3-5-7-16%2920-15%282%2919%2822%2917-10-12-18%2821%2913-11-17%2Fh3-7%2C10-15%2C19-22H%2C8-9H2%2C1-2H3, 38.1972999572754, 1.0, 4.0, 2.60887098312378, , 7.0, 3.0, 23.0, 12.0, 9.0, 12.0, -1.61520004272461, 7.0, 3.22000002861023, 47.0, 5.64099979400635 -InChI%3D1S%2FC17H23NO4%2Fc1-18%2821%2913-7-8-14%2818%2910-15%289-13%2922-17%2820%2916%2811-19%2912-5-3-2-4-6-12%2Fh2-6%2C13-16%2C19H%2C7-11H2%2C1H3%2Ft13-%2C14-%2C15-%2C16%3F%2C18-%2Fm1%2Fs1, 45.7028007507324, 0.0, 3.0, 6.09694862365723, , 6.0, 1.0, 24.0, 6.0, 6.0, 6.0, -2.46919989585876, 5.0, 2.77999997138977, 45.0, 2.77999997138977 -InChI%3D1S%2FC11H16ClN5%2Fc1-7%282%2915-10%2813%2917-11%2814%2916-9-5-3-8%2812%294-6-9%2Fh3-7H%2C1-2H3%2C%28H5%2C13%2C14%2C15%2C16%2C17%29, 40.7103004455566, 0.0, 3.0, 0.136013433337212, , 13.0, 5.0, 17.0, 6.0, 10.0, 6.0, 0.368800014257431, 6.0, 2.00999999046326, 33.0, 3.76900005340576 -InChI%3D1S%2FC10H12N2O3%2Fc1-3-5-10%286-4-2%297%2813%2911-9%2815%2912-8%2810%2914%2Fh3-4H%2C1-2%2C5-6H2%2C%28H2%2C11%2C12%2C13%2C14%2C15%29, 53.9194984436035, 0.0, 3.0, 0.393003612756729, , 8.0, 2.0, 15.0, 0.0, 3.0, 0.0, 0.626900017261505, 4.0, 2.00999999046326, 27.0, 1.8289999961853 -InChI%3D1S%2FC8H13N3O4S%2Fc1-3-16%2814%2C15%295-4-10-7%282%299-6-8%2810%2911%2812%2913%2Fh6H%2C3-5H2%2C1-2H3, 39.7389984130859, 0.0, 2.0, 0.000985960010439157, , 2.0, 1.0, 16.0, 5.0, 7.0, 0.0, -0.0313999988138676, 5.0, 1.46000003814697, 29.0, 0.898999989032745 -InChI%3D1S%2FC10H17N3S%2Fc1-2-5-12-7-3-4-8-9%286-7%2914-10%2811%2913-8%2Fh7%2C12H%2C2-6H2%2C1H3%2C%28H2%2C11%2C13%29, 52.2442016601562, 0.0, 3.0, 1.05740094184875, , 3.0, 3.0, 15.0, 0.0, 4.0, 0.0, -1.02830004692078, 3.0, 2.11999988555908, 33.0, 1.82599997520447 -InChI%3D1S%2FC10H15N5%2Fc11-9%2812%2915-10%2813%2914-7-6-8-4-2-1-3-5-8%2Fh1-5H%2C6-7H2%2C%28H6%2C11%2C12%2C13%2C14%2C15%29, 29.0634002685547, 0.0, 2.0, 0.0257602501660585, , 7.0, 5.0, 15.0, 6.0, 9.0, 6.0, -0.160500004887581, 6.0, 2.00999999046326, 30.0, 3.68300008773804 -InChI%3D1S%2FC21H36NO.ClH%2Fc1-4-22%285-2%2C6-3%2918-17-21%2823%2C19-13-9-7-10-14-19%2920-15-11-8-12-16-20%3B%2Fh7%2C9-10%2C13-14%2C20%2C23H%2C4-6%2C8%2C11-12%2C15-18H2%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1, , 1.0, 3.0, , , 6.0, 1.0, 24.0, 6.0, 11.0, 6.0, , 8.0, 3.44000005722046, 60.0, 6.68599987030029 -InChI%3D1S%2FC20H24N.CH4O4S%2Fc1-21%282%2915-13-19%2814-16-21%2920%2817-9-5-3-6-10-17%2918-11-7-4-8-12-18%3B1-5-6%282%2C3%294%2Fh3-12H%2C13-16H2%2C1-2H3%3B1H3%2C%28H%2C2%2C3%2C4%29%2Fq%2B1%3B%2Fp-1, 53.2882995605469, 1.0, 0.0, 2.93402647972107, , 14.0, 0.0, 28.0, 12.0, 6.0, 12.0, -1.71290004253387, 3.0, 3.10999989509583, 54.0, 5.45300006866455 -InChI%3D1S%2FC18H13ClFN3%2Fc1-11-21-9-13-10-22-18%2814-4-2-3-5-16%2814%2920%2915-8-12%2819%296-7-17%2815%2923%2811%2913%2Fh2-9H%2C10H2%2C1H3, 26.4132995605469, 0.0, 0.0, 0.941482067108154, , 19.0, 1.0, 26.0, 17.0, 0.0, 17.0, 0.970300018787384, 1.0, 2.89000010490417, 36.0, 4.94700002670288 -InChI%3D1S%2FC4H6N4O3S2%2Fc1-2%289%296-3-7-8-4%2812-3%2913%285%2C10%2911%2Fh1H3%2C%28H2%2C5%2C10%2C11%29%28H%2C6%2C7%2C9%29, 32.8358993530273, 0.0, 2.0, 0.174389764666557, , 12.0, 3.0, 13.0, 5.0, 4.0, 5.0, -0.417600005865097, 2.0, 0.910000026226044, 19.0, -1.26400005817413 -InChI%3D1S%2FC22H28O3%2Fc1-4-22%2825-14%282%2923%2912-10-20-19-7-5-15-13-16%2824%296-8-17%2815%2918%2819%299-11-21%2820%2C22%293%2Fh1%2C13%2C17-20H%2C5-12H2%2C2-3H3%2Ft17-%2C18%2B%2C19%3F%2C20-%2C21-%2C22-%2Fm0%2Fs1, 93.5656967163086, 0.0, 2.0, 1.76757025718689, , 4.0, 0.0, 28.0, 0.0, 4.0, 0.0, 1.32949995994568, 2.0, 3.54999995231628, 53.0, 3.98399996757507 -InChI%3D1S%2FC27H30Cl2O6%2Fc1-15-11-19-18-7-6-16-12-17%2830%298-9-24%2816%2C2%2926%2818%2C29%2921%2831%2913-25%2819%2C3%2927%2815%2C22%2832%2914-28%2935-23%2833%2920-5-4-10-34-20%2Fh4-5%2C8-10%2C12%2C15%2C18-19%2C21%2C31H%2C6-7%2C11%2C13-14H2%2C1-3H3%2Ft15-%2C18%2B%2C19%2B%2C21%2B%2C24%2B%2C25%3F%2C26%2B%2C27%2B%2Fm1%2Fs1, 114.435600280762, 0.0, 2.0, 0.548044085502625, , 8.0, 1.0, 39.0, 5.0, 4.0, 5.0, 0.740299999713898, 5.0, 3.54999995231628, 65.0, 3.58299994468689 -InChI%3D1S%2FC23H30O3%2Fc1-8-26-23%2824%2914-17%283%2911-9-10-16%282%2912-13-21-18%284%2915-22%2825-7%2920%286%2919%2821%295%2Fh9-15H%2C8H2%2C1-7H3, 89.8675994873047, 1.0, 9.0, 22.9738082885742, , 18.0, 0.0, 26.0, 6.0, 15.0, 6.0, 4.79309988021851, 8.0, 3.66000008583069, 56.0, 6.77299976348877 -InChI%3D1S%2FC9H5Cl2NO%2Fc10-6-4-7%2811%299%2813%298-5%286%292-1-3-12-8%2Fh1-4%2C13H, 13.7958002090454, 0.0, 0.0, 1.05740094184875, , 11.0, 1.0, 14.0, 11.0, 0.0, 10.0, 1.02830004692078, 0.0, 2.00999999046326, 18.0, 2.0460000038147 -InChI%3D1S%2FC29H34O6%2Fc1-2-32-29-26%2830%2928%2834-20-24-16-10-5-11-17-24%2927%2835-29%2925%2833-19-23-14-8-4-9-15-23%2921-31-18-22-12-6-3-7-13-22%2Fh3-17%2C25-30H%2C2%2C18-21H2%2C1H3%2Ft25%3F%2C26%3F%2C27-%2C28-%2C29-%2Fm1%2Fs1, 56.2685012817383, 2.0, 2.0, 0.811981201171875, , 6.0, 1.0, 38.0, 18.0, 6.0, 18.0, -0.901099979877472, 13.0, 3.99000000953674, 69.0, 7.80999994277954 -InChI%3D1S%2FC27H33N3O8%2Fc1-26%2837%2913-7-6-8-16%2831%2917%2813%2921%2832%2918-14%2826%2911-15-20%2829%282%293%2922%2833%2919%2824%2835%2927%2815%2C38%2923%2818%2934%2925%2836%2928-12-30-9-4-5-10-30%2Fh6-8%2C14-15%2C20%2C31%2C33-34%2C37-38H%2C4-5%2C9-12H2%2C1-3H3%2C%28H%2C28%2C36%29%2Ft14%3F%2C15-%2C20%3F%2C26%2B%2C27%3F%2Fm0%2Fs1, 109.981597900391, 1.0, 0.0, 19.8657398223877, , 12.0, 6.0, 42.0, 6.0, 4.0, 6.0, -4.45709991455078, 4.0, 3.22000002861023, 71.0, 1.13300001621246 -InChI%3D1S%2FC16H10ClNO2S%2Fc17-12-8-6-10%287-9-12%2913-14%2816%2819%2920%2921-15%2818-13%2911-4-2-1-3-5-11%2Fh1-9H%2C%28H%2C19%2C20%29, 20.6284008026123, 1.0, 0.0, 1.19924402236938, , 20.0, 2.0, 23.0, 17.0, 2.0, 17.0, 1.09510004520416, 3.0, 2.67000007629395, 31.0, 5.38700008392334 -InChI%3D1S%2FC16H14ClN3O%2Fc1-18-15-10-20%2821%2916%2811-5-3-2-4-6-11%2913-9-12%2817%297-8-14%2813%2919-15%2Fh2-9H%2C10H2%2C1H3%2C%28H%2C18%2C19%29, 29.6387004852295, 0.0, 0.0, 0.186537608504295, , 18.0, 1.0, 23.0, 12.0, 2.0, 12.0, -0.43189999461174, 1.0, 2.67000007629395, 35.0, 4.91400003433228 -InChI%3D1S%2FC12H15NO3%2Fc1-8-3-9%282%295-10%284-8%2915-7-11-6-13-12%2814%2916-11%2Fh3-5%2C11H%2C6-7H2%2C1-2H3%2C%28H%2C13%2C14%29, 35.086498260498, 0.0, 0.0, 1.81629526615143, , 7.0, 1.0, 17.0, 6.0, 2.0, 6.0, 1.34769999980927, 3.0, 2.33999991416931, 31.0, 3.125 -InChI%3D1S%2FC18H18N6O5S2%2Fc19-12%288-1-3-10%2825%294-2-8%2915%2826%2921-13-16%2827%2924-14%2818%2828%2929%299%287-31-17%2813%2924%296-30-11-5-20-23-22-11%2Fh1-5%2C12-13%2C17%2C25H%2C6-7%2C19H2%2C%28H%2C21%2C26%29%28H%2C28%2C29%29%28H%2C20%2C22%2C23%29%2Ft12-%2C13%3F%2C17-%2Fm1%2Fs1, 73.1846008300781, 0.0, 2.0, 1.73870599269867, , 8.0, 4.0, 34.0, 11.0, 5.0, 6.0, -1.3186000585556, 7.0, 2.00999999046326, 48.0, -2.65000009536743 -InChI%3D1S%2FC13H20N2O2%2Fc16-11-13%2817%2910-14-6-8-15%289-7-14%2912-4-2-1-3-5-12%2Fh1-5%2C13%2C16-17H%2C6-11H2%2Ft13-%2Fm0%2Fs1, 42.5962982177734, 0.0, 3.0, 0.765625, , 7.0, 2.0, 18.0, 6.0, 5.0, 6.0, -0.875, 4.0, 2.45000004768372, 37.0, 0.867999970912933 -InChI%3D1S%2FC14H19N5O4%2Fc1-9%2820%2922-6-11%287-23-10%282%2921%293-4-19-8-17-12-5-16-14%2815%2918-13%2812%2919%2Fh5%2C8%2C11H%2C3-4%2C6-7H2%2C1-2H3%2C%28H2%2C15%2C16%2C18%29, 62.0931015014648, 0.0, 4.0, 1.36048901081085, , 4.0, 4.0, 24.0, 5.0, 13.0, 0.0, -1.16639995574951, 9.0, 2.00999999046326, 44.0, 0.962000012397766 -InChI%3D1S%2FC21H25N%2Fc1-21%282%2C3%2915-8-5-9-16-22%284%2917-19-13-10-12-18-11-6-7-14-20%2818%2919%2Fh5-7%2C9-14H%2C16-17H2%2C1-4H3, 56.0279006958008, 1.0, 7.0, 7.57955980300903, , 10.0, 0.0, 23.0, 11.0, 12.0, 10.0, 2.75309991836548, 4.0, 3.66000008583069, 47.0, 7.69600009918213 -InChI%3D1S%2FC27H37FO6%2Fc1-5-6-7-23%2832%2934-15-22%2831%2927%2833%2916%282%2912-20-19-9-8-17-13-18%2829%2910-11-24%2817%2C3%2926%2819%2C28%2921%2830%2914-25%2820%2C27%294%2Fh10-11%2C13%2C16%2C19-21%2C30%2C33H%2C5-9%2C12%2C14-15H2%2C1-4H3%2Ft16-%2C19%2B%2C20%3F%2C21%2B%2C24%2B%2C25%2B%2C26%3F%2C27%2B%2Fm1%2Fs1, 121.293502807617, 0.0, 5.0, 1.1335860490799, , 6.0, 2.0, 37.0, 0.0, 10.0, 0.0, -1.06470000743866, 7.0, 3.66000008583069, 71.0, 2.83999991416931 -InChI%3D1S%2FC48H74O14%2Fc1-11-25%282%2943-28%285%2917-18-47%2862-43%2923-34-20-33%2861-47%2916-15-27%284%2942%2826%283%2913-12-14-32-24-55-45-40%2849%2929%286%2919-35%2846%2851%2958-34%2948%2832%2C45%2952%2959-39-22-37%2854-10%2944%2831%288%2957-39%2960-38-21-36%2853-9%2941%2850%2930%287%2956-38%2Fh12-15%2C19%2C25-26%2C28%2C30-31%2C33-45%2C49-50%2C52H%2C11%2C16-18%2C20-24H2%2C1-10H3%2Fb13-12%2B%2C27-15%2B%2C32-14%2B%2Ft25-%2C26-%2C28-%2C30-%2C31-%2C33%2B%2C34-%2C35-%2C36-%2C37%3F%2C38-%2C39-%2C40%2B%2C41-%2C42-%2C43%2B%2C44-%2C45%2B%2C47%2B%2C48%3F%2Fm0%2Fs1, 218.311492919922, 1.0, 4.0, 2.21116900444031, , 4.0, 3.0, 68.0, 0.0, 4.0, 0.0, -1.48699998855591, 8.0, 5.19999980926514, 136.0, 2.83899998664856 -InChI%3D1S%2FC16H16N4O%2Fc17-15%2818%2912-5-2-10%283-6-12%291-4-11-7-8-13%2816%2819%2920%299-14%2811%2921%2Fh1-9%2C21H%2C%28H3%2C17%2C18%29%28H3%2C19%2C20%29, 30.2803993225098, 0.0, 2.0, 0.894348502159119, , 21.0, 5.0, 22.0, 12.0, 3.0, 12.0, -0.945699989795685, 4.0, 2.67000007629395, 37.0, 4.03700017929077 -InChI%3D1S%2FC18H18N6O8S3%2Fc25-13%289-4-2-1-3-5-9%2914%2826%2919-11-15%2827%2924-12%2817%2828%2929%2910%286-33-16%2811%2924%297-34-18-20-21-22-23%2818%298-35%2830%2C31%2932%2Fh1-5%2C11%2C13%2C16%2C25H%2C6-8H2%2C%28H%2C19%2C26%29%28H%2C28%2C29%29%28H%2C30%2C31%2C32%29%2Ft11%3F%2C13-%2C16-%2Fm1%2Fs1, 87.013801574707, 1.0, 2.0, 1.19137227535248, , 8.0, 4.0, 38.0, 11.0, 5.0, 11.0, -1.09150004386902, 9.0, 1.57000005245209, 53.0, -0.527999997138977 -InChI%3D1S%2FC15H13NO3%2Fc1-9%2815%2817%2918%2910-4-5-13-12%287-10%298-11-3-2-6-16-14%2811%2919-13%2Fh2-7%2C9H%2C8H2%2C1H3%2C%28H%2C17%2C18%29, 22.7935009002686, 0.0, 3.0, 0.12752041220665, , 13.0, 1.0, 21.0, 12.0, 5.0, 12.0, 0.357100009918213, 2.0, 2.67000007629395, 32.0, 2.83599996566772 -InChI%3D1S%2FC13H17N5O8S2%2Fc1-5-7%2810%2820%2918%285%2928%2823%2C24%2925%2916-9%2819%298%286-4-27-12%2814%2915-6%2917-26-13%282%2C3%2911%2821%2922%2Fh4-5%2C7H%2C1-3H3%2C%28H2%2C14%2C15%29%28H%2C16%2C19%29%28H%2C21%2C22%29%28H%2C23%2C24%2C25%29%2Fb17-8-%2Ft5-%2C7%3F%2Fm0%2Fs1, 93.1943969726562, 1.0, 3.0, 0.693222761154175, , 7.0, 5.0, 29.0, 0.0, 12.0, 0.0, -0.832599997520447, 7.0, 1.24000000953674, 47.0, -0.652999997138977 -InChI%3D1S%2FC15H10BrClN4S%2Fc1-8-19-20-13-7-18-14%289-4-2-3-5-11%289%2917%2910-6-12%2816%2922-15%2810%2921%288%2913%2Fh2-6H%2C7H2%2C1H3, 42.253101348877, 0.0, 0.0, 3.33573698997498, , 18.0, 1.0, 25.0, 16.0, 0.0, 16.0, 1.8264000415802, 1.0, 2.33999991416931, 32.0, 4.77899980545044 -InChI%3D1S%2FC23H28ClN3O2S%2Fc1-18%2828%2929-16-15-26-13-11-25%2812-14-26%299-4-10-27-20-5-2-3-6-22%2820%2930-23-8-7-19%2824%2917-21%2823%2927%2Fh2-3%2C5-8%2C17H%2C4%2C9-16H2%2C1H3, 74.4283981323242, 0.0, 3.0, 1.20582365989685, , 13.0, 0.0, 33.0, 12.0, 6.0, 12.0, 1.09809994697571, 8.0, 3.22000002861023, 58.0, 4.13100004196167 -InChI%3D1S%2FC21H25N3O2S%2Fc25-14-16-26-15-13-23-9-11-24%2812-10-23%2921-17-5-1-3-7-19%2817%2927-20-8-4-2-6-18%2820%2922-21%2Fh1-8%2C25H%2C9-16H2, 61.2714004516602, 0.0, 2.0, 0.155551359057426, , 15.0, 1.0, 30.0, 12.0, 6.0, 12.0, -0.394400000572205, 6.0, 3.10999989509583, 52.0, 3.85500001907349 -InChI%3D1S%2FC23H30O6%2Fc1-13%2824%2929-12-19%2827%2923%2828%299-7-17-16-5-4-14-10-15%2825%296-8-21%2814%2C2%2920%2816%2918%2826%2911-22%2817%2C23%293%2Fh6%2C8%2C10%2C16-18%2C20%2C26%2C28H%2C4-5%2C7%2C9%2C11-12H2%2C1-3H3%2Ft16%3F%2C17-%2C18-%2C20%2B%2C21-%2C22%3F%2C23-%2Fm0%2Fs1, 106.347099304199, 0.0, 2.0, 0.22905795276165, , 6.0, 2.0, 32.0, 0.0, 7.0, 0.0, -0.47859999537468, 4.0, 3.32999992370605, 59.0, 1.33200001716614 -InChI%3D1S%2FC12H21N5O2S2%2Fc1-13-11%286-17%2818%2919%2914-4-5-20-8-10-9-21-12%2815-10%297-16%282%293%2Fh6%2C9%2C13-14H%2C4-5%2C7-8H2%2C1-3H3, 71.5422973632812, 0.0, 2.0, 0.00375769007951021, , 7.0, 3.0, 21.0, 5.0, 12.0, 5.0, 0.0612999983131886, 10.0, 1.78999996185303, 42.0, 2.13800001144409 -InChI%3D1S%2FC21H28O5%2Fc1-20-7-6-13%2824%298-12%2820%292-3-14-15-4-5-16%2818%2826%2910-22%2921%2815%2C11-23%299-17%2825%2919%2814%2920%2Fh8%2C11%2C14-17%2C19%2C22%2C25H%2C2-7%2C9-10H2%2C1H3%2Ft14%3F%2C15-%2C16-%2C17-%2C19%2B%2C20-%2C21%3F%2Fm0%2Fs1, 95.9124984741211, 0.0, 2.0, 1.83738029003143, , 4.0, 2.0, 29.0, 0.0, 4.0, 0.0, -1.35549998283386, 3.0, 3.22000002861023, 54.0, 0.256999999284744 -InChI%3D1S%2FC32H24N6O6S2.2Na%2Fc33-31-25-7-3-1-5-23%2825%2929%2845%2839%2C40%2941%2917-27%2831%2937-35-21-13-9-19%2810-14-21%2920-11-15-22%2816-12-20%2936-38-28-18-30%2846%2842%2C43%2944%2924-6-2-4-8-26%2824%2932%2828%2934%3B%3B%2Fh1-18H%2C33-34H2%2C%28H%2C39%2C40%2C41%29%28H%2C42%2C43%2C44%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb37-35%2B%2C38-36%2B%3B%3B, , 2.0, 0.0, , , 46.0, 2.0, 51.0, 34.0, 3.0, 32.0, , 7.0, 3.22000002861023, 70.0, 8.23200035095215 -InChI%3D1S%2FC49H76O20%2Fc1-21-43%2867-38-17-32%2853%2944%2822%282%2962-38%2968-39-18-33%2864-24%284%2951%2945%2823%283%2963-39%2969-46-42%2858%2941%2857%2940%2856%2934%2819-50%2966-46%2931%2852%2916-37%2861-21%2965-27-9-11-47%285%2926%2814-27%297-8-29-30%2847%2915-35%2854%2948%286%2928%2810-12-49%2829%2C48%2959%2925-13-36%2855%2960-20-25%2Fh13%2C21-23%2C26-35%2C37-46%2C50%2C52-54%2C56-59H%2C7-12%2C14-20H2%2C1-6H3%2Ft21-%2C22-%2C23-%2C26-%2C27%2B%2C28-%2C29-%2C30%2B%2C31%2B%2C32%3F%2C33%2B%2C34%3F%2C35-%2C37%2B%2C38%2B%2C39%2B%2C40-%2C41%2B%2C42-%2C43%3F%2C44%3F%2C45%3F%2C46%2B%2C47%3F%2C48%2B%2C49%3F%2Fm1%2Fs1, 226.028793334961, 3.0, 0.0, 25.4621162414551, , 5.0, 8.0, 77.0, 0.0, 4.0, 0.0, -5.0460000038147, 12.0, 4.65000009536743, 145.0, 1.37699997425079 -InChI%3D1S%2FC6H12O6%2Fc7-1-2-3%288%294%289%295%2810%296%2811%2912-2%2Fh2-11H%2C1H2%2Ft2%3F%2C3-%2C4%3F%2C5-%2C6%3F%2Fm1%2Fs1, 35.9234008789062, 0.0, 0.0, 6.31717967987061, , 0.0, 5.0, 12.0, 0.0, 2.0, 0.0, -2.51340007781982, 1.0, 1.46000003814697, 24.0, -1.69700002670288 -InChI%3D1S%2FC35H42N2O11%2Fc1-7-46-35%2840%2948-31-26%2842-3%2912-18%2813-27%2831%2943-4%2933%2838%2947-28-14-19-17-37-11-10-22-21-9-8-20%2841-2%2915-24%2821%2936-30%2822%2925%2837%2916-23%2819%2929%2832%2828%2944-5%2934%2839%2945-6%2Fh8-9%2C12-13%2C15%2C19%2C23%2C25%2C28-29%2C32%2C36H%2C7%2C10-11%2C14%2C16-17H2%2C1-6H3%2Ft19%3F%2C23-%2C25%2B%2C28%3F%2C29-%2C32-%2Fm0%2Fs1, 110.275497436523, 1.0, 2.0, 0.176736161112785, , 15.0, 1.0, 53.0, 16.0, 6.0, 12.0, 0.420399993658066, 13.0, 3.88000011444092, 89.0, 3.71000003814697 -InChI%3D1S%2FC26H36O3%2Fc1-26-15-14-21-20-10-8-19%2827%2916-18%2820%297-9-22%2821%2923%2826%2911-12-24%2826%2929-25%2828%2913-6-17-4-2-3-5-17%2Fh8%2C10%2C16-17%2C21-24%2C27H%2C2-7%2C9%2C11-15H2%2C1H3%2Ft21-%2C22%3F%2C23%2B%2C24%2B%2C26%3F%2Fm1%2Fs1, 82.8537979125977, 1.0, 3.0, 0.0328334383666515, , 7.0, 1.0, 33.0, 6.0, 5.0, 6.0, -0.181199997663498, 5.0, 3.99000000953674, 65.0, 8.08300018310547 -InChI%3D1S%2FC7H17NO5%2Fc1-8-2-4%2810%296%2812%297%2813%295%2811%293-9%2Fh4-13H%2C2-3H2%2C1H3%2Ft4-%2C5%2B%2C6%2B%2C7%2B%2Fm0%2Fs1, 44.8357009887695, 1.0, 6.0, 7.82880401611328, , 0.0, 6.0, 12.0, 0.0, 13.0, 0.0, -2.79800009727478, 6.0, 1.57000005245209, 30.0, -3.57299995422363 -InChI%3D1S%2FC9H11N3O4%2Fc10-5-1-2-12-8-7%2816-9%2812%2911-5%296%2814%294%283-13%2915-8%2Fh1-2%2C4%2C6-8%2C10%2C13-14H%2C3H2%2Ft4%3F%2C6-%2C7%3F%2C8-%2Fm1%2Fs1, 50.6967010498047, 0.0, 0.0, 0.87385106086731, , 3.0, 4.0, 18.0, 0.0, 2.0, 0.0, -0.934800028800964, 1.0, 1.67999994754791, 31.0, -1.34200000762939 -InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-5-11%286-3-9%2914%2812%2910-4-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29, 55.7243003845215, 0.0, 2.0, 0.0070728100836277, , 5.0, 1.0, 14.0, 0.0, 7.0, 0.0, 0.0841000005602837, 5.0, 1.46000003814697, 29.0, 0.834999978542328 -InChI%3D1S%2FC4H11NO3%2Fc5-4%281-6%2C2-7%293-8%2Fh6-8H%2C1-3%2C5H2, 28.3554992675781, 0.0, 3.0, 5.66868495941162, , 0.0, 4.0, 7.0, 0.0, 8.0, 0.0, -2.38089990615845, 3.0, 1.46000003814697, 19.0, -2.66199994087219 -InChI%3D1S%2FC9H8N2O2%2Fc10-9-11-8%2812%297%2813-9%296-4-2-1-3-5-6%2Fh1-5%2C7H%2C%28H2%2C10%2C11%2C12%29, 19.1490993499756, 0.0, 0.0, 0.0896403566002846, , 6.0, 2.0, 14.0, 6.0, 0.0, 6.0, -0.299400001764297, 1.0, 2.00999999046326, 21.0, 2.61199998855591 -InChI%3D1S%2FC24H36O3%2Fc1-6-7-8-9-12-23%282%2C3%2916-13-20%2826%2922-18-15-17%2825%2910-11-19%2818%2924%284%2C5%2927-21%2822%2914-16%2Fh13-14%2C18-19%2C26H%2C6-12%2C15H2%2C1-5H3%2Ft18-%2C19%3F%2Fm1%2Fs1, 79.2587966918945, 1.0, 8.0, 0.179267555475235, , 8.0, 1.0, 29.0, 6.0, 9.0, 6.0, -0.423400014638901, 6.0, 3.76999998092651, 63.0, 6.84299993515015 -InChI%3D1S%2FC15H15NO2S%2Fc16-14%2817%2911-19%2818%2915%2812-7-3-1-4-8-12%2913-9-5-2-6-10-13%2Fh1-10%2C15H%2C11H2%2C%28H2%2C16%2C17%29, 25.6014995574951, 0.0, 2.0, 0.731024980545044, , 6.0, 2.0, 20.0, 12.0, 7.0, 12.0, -0.855000019073486, 5.0, 2.67000007629395, 34.0, 4.42999982833862 -InChI%3D1S%2FC29H38F3N3O2S%2Fc1-2-3-4-5-11-28%2836%2937-21-20-34-18-16-33%2817-19-34%2914-8-15-35-24-9-6-7-10-26%2824%2938-27-13-12-23%2822-25%2827%2935%2929%2830%2C31%2932%2Fh6-7%2C9-10%2C12-13%2C22H%2C2-5%2C8%2C11%2C14-21H2%2C1H3, 91.9172973632812, 2.0, 7.0, 0.141451209783554, , 13.0, 0.0, 41.0, 12.0, 11.0, 12.0, 0.37610000371933, 14.0, 3.66000008583069, 76.0, 7.67799997329712 -InChI%3D1S%2FC15H14ClN3O4S3%2Fc16-11-6-12-14%287-13%2811%2925%2817%2C20%2921%2926%2822%2C23%2919-15%2818-12%299-24-8-10-4-2-1-3-5-10%2Fh1-7H%2C8-9H2%2C%28H%2C18%2C19%29%28H2%2C17%2C20%2C21%29, 51.1651000976562, 0.0, 0.0, 0.481080949306488, , 16.0, 2.0, 28.0, 12.0, 3.0, 12.0, -0.693599998950958, 5.0, 1.89999997615814, 40.0, 2.86199998855591 -InChI%3D1S%2FC6H18N4%2Fc7-1-3-9-5-6-10-4-2-8%2Fh9-10H%2C1-8H2, 43.3174018859863, 0.0, 2.0, 5.15744113922119, , 0.0, 4.0, 9.0, 0.0, 10.0, 0.0, -2.27099990844727, 7.0, 1.67999994754791, 28.0, -2.11400008201599 -InChI%3D1S%2FC10H14N2O5%2Fc1-5-3-12%2810%2816%2911-9%285%2915%298-2-6%2814%297%284-13%2917-8%2Fh3%2C6-8%2C13-14H%2C2%2C4H2%2C1H3%2C%28H%2C11%2C15%2C16%29%2Ft6-%2C7%3F%2C8%2B%2Fm0%2Fs1, 53.2775993347168, 0.0, 0.0, 4.53903007507324, , 4.0, 4.0, 18.0, 0.0, 2.0, 0.0, -2.13050007820129, 2.0, 1.78999996185303, 35.0, -1.38100004196167 -InChI%3D1S%2FC10H12O3%2Fc1-2-7-13-10%2812%298-3-5-9%2811%296-4-8%2Fh3-6%2C11H%2C2%2C7H2%2C1H3, 22.3787994384766, 0.0, 3.0, 0.602952241897583, , 10.0, 1.0, 13.0, 6.0, 6.0, 6.0, -0.77649998664856, 4.0, 2.23000001907349, 25.0, 2.17199993133545 -InChI%3D1S%2FC23H27N5O7S%2Fc1-4-26-10-11-27%2819%2832%2918%2826%2931%2922%2835%2925-13%2812-8-6-5-7-9-12%2916%2829%2924-14-17%2830%2928-15%2821%2833%2934%2923%282%2C3%2936-20%2814%2928%2Fh5-9%2C13-15%2C20H%2C4%2C10-11H2%2C1-3H3%2C%28H%2C24%2C29%29%28H%2C25%2C35%29%28H%2C33%2C34%29%2Ft13-%2C14%3F%2C15%2B%2C20-%2Fm1%2Fs1, 100.620002746582, 1.0, 2.0, 0.322056263685226, , 9.0, 3.0, 39.0, 6.0, 7.0, 6.0, -0.567499995231628, 7.0, 2.55999994277954, 63.0, 1.69500005245209 -InChI%3D1S%2FC9H13N%2Fc1-8%2810%297-9-5-3-2-4-6-9%2Fh2-6%2C8H%2C7%2C10H2%2C1H3, 18.3840999603271, 0.0, 3.0, 0.4714195728302, , 6.0, 1.0, 10.0, 6.0, 4.0, 6.0, -0.686600029468536, 2.0, 2.33999991416931, 23.0, 3.58200001716614 -InChI%3D1S%2FC17H20N2O5S%2Fc1-2-3-9-19-14-10-12%2817%2820%2921%2911-15%2825%2818%2C22%2923%2916%2814%2924-13-7-5-4-6-8-13%2Fh4-8%2C10-11%2C19H%2C2-3%2C9H2%2C1H3%2C%28H%2C20%2C21%29%28H2%2C18%2C22%2C23%29, 39.7140998840332, 0.0, 4.0, 5.12524318695068, , 21.0, 3.0, 26.0, 12.0, 5.0, 12.0, -2.2639000415802, 8.0, 2.45000004768372, 45.0, 2.92600011825562 -InChI%3D1S%2FC47H72O14%2Fc1-24%282%2941-27%285%2916-17-46%2861-41%2922-33-19-32%2860-46%2915-14-26%284%2942%2825%283%2912-11-13-31-23-54-44-39%2848%2928%286%2918-34%2845%2850%2957-33%2947%2831%2C44%2951%2958-38-21-36%2853-10%2943%2830%288%2956-38%2959-37-20-35%2852-9%2940%2849%2929%287%2955-37%2Fh11-14%2C18%2C24-25%2C27%2C29-30%2C32-44%2C48-49%2C51H%2C15-17%2C19-23H2%2C1-10H3%2Fb12-11%2B%2C26-14%2B%2C31-13%2B%2Ft25-%2C27-%2C29-%2C30-%2C32%2B%2C33-%2C34-%2C35-%2C36%3F%2C37-%2C38-%2C39%2B%2C40-%2C41%2B%2C42-%2C43-%2C44%2B%2C46%2B%2C47%3F%2Fm0%2Fs1, 215.233703613281, 1.0, 0.0, 0.657396614551544, , 4.0, 3.0, 67.0, 0.0, 2.0, 0.0, -0.810800015926361, 7.0, 5.09000015258789, 133.0, 2.26999998092651 -InChI%3D1S%2FC4H9NO%2Fc1-4%286%295%282%293%2Fh1-3H3, 24.2593002319336, 0.0, 2.0, 0.17665208876133, , 3.0, 0.0, 5.0, 0.0, 6.0, 0.0, -0.420300006866455, 1.0, 1.67999994754791, 15.0, -0.148000001907349 -InChI%3D1S%2FC18H26O5%2Fc1-12-6-5-9-14%2819%298-4-2-3-7-13-10-15%2820%2911-16%2821%2917%2813%2918%2822%2923-12%2Fh10-12%2C14%2C19-21H%2C2-9H2%2C1H3%2Ft12-%2C14%2B%2Fm0%2Fs1, 51.9266014099121, 0.0, 0.0, 12.076319694519, , 11.0, 3.0, 24.0, 6.0, 0.0, 6.0, -3.47510004043579, 0.0, 2.89000010490417, 49.0, 3.19199991226196 -InChI%3D1S%2FC7H8N4O2%2Fc1-10-5-4%288-3-9-5%296%2812%2911%282%297%2810%2913%2Fh3H%2C1-2H3%2C%28H%2C8%2C9%29, 26.2775001525879, 0.0, 0.0, 0.298771560192108, , 6.0, 2.0, 14.0, 5.0, 0.0, 0.0, -0.546599984169006, 0.0, 1.57000005245209, 20.0, -0.751999974250793 -InChI%3D1S%2FC15H12N2O2%2Fc18-13-15%2817-14%2819%2916-13%2C11-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H%2C%28H2%2C16%2C17%2C18%2C19%29, 19.0569000244141, 0.0, 0.0, 0.331660807132721, , 6.0, 2.0, 21.0, 12.0, 0.0, 12.0, -0.575900018215179, 2.0, 2.67000007629395, 31.0, 4.85400009155273 -InChI%3D1S%2FC15H18N4O5%2Fc1-5-9%2816%2912%2821%298-6%284-24-14%2817%2922%2915%2823-2%2913-7%2818-13%293-19%2815%2910%288%2911%285%2920%2Fh6-7%2C13%2C18H%2C3-4%2C16H2%2C1-2H3%2C%28H2%2C17%2C22%29%2Ft6-%2C7%2B%2C13%3F%2C15%3F%2Fm1%2Fs1, 81.9337005615234, 0.0, 0.0, 1.79077923297882, , 10.0, 4.0, 27.0, 0.0, 5.0, 0.0, -1.33819997310638, 4.0, 2.11999988555908, 42.0, -0.252000004053116 -InChI%3D1S%2FC6H14O6S2%2Fc1-13%287%2C8%2911-5-3-4-6-12-14%282%2C9%2910%2Fh3-6H2%2C1-2H3, 46.6245994567871, 0.0, 4.0, 1.28550243377686, , 4.0, 0.0, 13.0, 0.0, 14.0, 0.0, -1.13380002975464, 7.0, 1.24000000953674, 28.0, -1.23199999332428 -InChI%3D1S%2FC10H9N3O%2Fc11-9-5-8%286-13-10%289%2914%297-1-3-12-4-2-7%2Fh1-6H%2C11H2%2C%28H%2C13%2C14%29, 6.7866997718811, 0.0, 0.0, 1.46458399295807, , 14.0, 2.0, 15.0, 12.0, 0.0, 12.0, -1.21019995212555, 1.0, 2.11999988555908, 23.0, 0.903999984264374 -InChI%3D1S%2FC7H9N3O%2Fc8-7%2811%2910-9-6-4-2-1-3-5-6%2Fh1-5%2C9H%2C%28H3%2C8%2C10%2C11%29, 14.2775001525879, 0.0, 0.0, 0.244926005601883, , 11.0, 4.0, 11.0, 6.0, 5.0, 6.0, -0.494899988174438, 3.0, 1.78999996185303, 20.0, 3.25300002098083 -InChI%3D1S%2FC21H19N3O3S%2Fc1-27-20-13-14%2824-28%282%2C25%2926%2911-12-19%2820%2923-21-15-7-3-5-9-17%2815%2922-18-10-6-4-8-16%2818%2921%2Fh3-13%2C24H%2C1-2H3%2C%28H%2C22%2C23%29, 34.057201385498, 0.0, 0.0, 1.99374401569366, , 26.0, 1.0, 31.0, 18.0, 5.0, 18.0, -1.41199994087219, 4.0, 3.0, 47.0, 4.94799995422363 -InChI%3D1S%2FC23H29N3O2S%2Fc1-18%2828%2919-7-8-23-21%2817-19%2926%2820-5-2-3-6-22%2820%2929-23%2910-4-9-24-11-13-25%2814-12-24%2915-16-27%2Fh2-3%2C5-8%2C17%2C27H%2C4%2C9-16H2%2C1H3, 70.4317016601562, 0.0, 3.0, 0.0779526382684708, , 15.0, 1.0, 32.0, 12.0, 3.0, 12.0, -0.279199987649918, 7.0, 3.32999992370605, 58.0, 2.79699993133545 -InChI%3D1S%2FC20H4Cl4I4O5.2Na%2Fc21-10-8%289%2820%2831%2932%2911%2822%2913%2824%2912%2810%2923%297-3-1-5%2825%2916%2829%2914%2827%2918%283%2933-19-4%287%292-6%2826%2917%2830%2915%2819%2928%3B%3B%2Fh1-2%2C29H%2C%28H%2C31%2C32%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2, , 1.0, 0.0, , , 9.0, 0.0, 36.0, 12.0, 2.0, 12.0, , 2.0, 2.00999999046326, 43.0, 5.46500015258789 -InChI%3D1S%2FC14H22N2O2%2Fc1-6-16%285%2914%2817%2918-13-9-7-8-12%2810-13%2911%282%2915%283%294%2Fh7-11H%2C6H2%2C1-5H3, 48.068000793457, 0.0, 2.0, 0.347746104001999, , 10.0, 0.0, 18.0, 6.0, 7.0, 6.0, 0.589699983596802, 6.0, 2.55999994277954, 40.0, 2.77999997138977 -InChI%3D1S%2FC28H29F2N3O%2Fc29-22-11-7-20%288-12-22%2925%2821-9-13-23%2830%2914-10-21%294-3-17-32-18-15-24%2816-19-32%2933-27-6-2-1-5-26%2827%2931-28%2833%2934%2Fh1-2%2C5-14%2C24-25H%2C3-4%2C15-19H2%2C%28H%2C31%2C34%29, 44.6063995361328, 1.0, 4.0, 0.0526243597269058, , 8.0, 2.0, 38.0, 22.0, 4.0, 18.0, -0.229399994015694, 7.0, 3.88000011444092, 63.0, 7.90899991989136 -InChI%3D1S%2FC9H13NO2%2Fc1-10-6-9%2812%297-3-2-4-8%2811%295-7%2Fh2-5%2C9-12H%2C6H2%2C1H3%2Ft9-%2Fm0%2Fs1, 22.2360000610352, 0.0, 2.0, 1.63200628757477, , 7.0, 3.0, 12.0, 6.0, 5.0, 6.0, -1.2775000333786, 3.0, 2.11999988555908, 25.0, 0.46399998664856 -InChI%3D1S%2FC21H27NO4%2Fc23-14-5-4-13-10-16-21%2825%297-6-15%2824%2919-20%2821%2C17%2813%2918%2814%2926-19%298-9-22%2816%2911-12-2-1-3-12%2Fh4-5%2C12%2C15-16%2C19%2C23-25H%2C1-3%2C6-11H2%2Ft15%3F%2C16-%2C19%2B%2C20%2B%2C21-%2Fm1%2Fs1, 68.0511016845703, 0.0, 0.0, 4.41756343841553, , 8.0, 3.0, 31.0, 6.0, 0.0, 6.0, -2.10179996490479, 2.0, 3.22000002861023, 53.0, 1.44700002670288 -InChI%3D1S%2FC8H12N2%2Fc1-9-7-5-8-4-2-3-6-10-8%2Fh2-4%2C6%2C9H%2C5%2C7H2%2C1H3, 16.6205005645752, 0.0, 2.0, 0.353430241346359, , 6.0, 1.0, 10.0, 6.0, 4.0, 6.0, -0.594500005245209, 3.0, 2.11999988555908, 22.0, 1.44599997997284 -InChI%3D1S%2FC26H34O8.Na%2Fc1-14-10-16-17-7-9-26%2833%2C20%2829%2913-34-22%2832%295-4-21%2830%2931%2925%2817%2C3%2912-19%2828%2923%2816%2924%282%298-6-15%2827%2911-18%2814%2924%3B%2Fh6%2C8%2C11%2C14%2C16-17%2C19%2C23%2C28%2C33H%2C4-5%2C7%2C9-10%2C12-13H2%2C1-3H3%2C%28H%2C30%2C31%29%3B%2Fq%3B%2B1%2Fp-1%2Ft14-%2C16%3F%2C17-%2C19-%2C23%2B%2C24-%2C25-%2C26-%3B%2Fm0.%2Fs1, , 0.0, 4.0, , , 6.0, 2.0, 37.0, 0.0, 11.0, 0.0, , 7.0, 3.32999992370605, 68.0, 0.725000023841858 -InChI%3D1S%2FC16H13ClN2O2%2Fc1-19-13-8-7-11%2817%299-12%2813%2914%2818-15%2820%2916%2819%2921%2910-5-3-2-4-6-10%2Fh2-9%2C15%2C20H%2C1H3, 31.1173000335693, 0.0, 0.0, 0.0468722507357597, , 17.0, 1.0, 23.0, 12.0, 0.0, 12.0, -0.216499999165535, 1.0, 2.67000007629395, 34.0, 3.92000007629395 -InChI%3D1S%2FC21H39N7O12%2Fc1-5-21%2836%2C4-30%2916%2840-17-9%2826-2%2913%2834%2910%2831%296%283-29%2938-17%2918%2837-5%2939-15-8%2828-20%2824%2925%2911%2832%297%2827-19%2822%2923%2912%2833%2914%2815%2935%2Fh4-18%2C26%2C29%2C31-36H%2C3H2%2C1-2H3%2C%28H4%2C22%2C23%2C27%29%28H4%2C24%2C25%2C28%29%2Ft5-%2C6%3F%2C7%2B%2C8%3F%2C9-%2C10-%2C11%2B%2C12-%2C13-%2C14%2B%2C15%2B%2C16-%2C17%3F%2C18%3F%2C21%2B%2Fm0%2Fs1, 122.162300109863, 3.0, 0.0, 34.227180480957, , 4.0, 14.0, 42.0, 0.0, 4.0, 0.0, -5.8503999710083, 11.0, 1.67999994754791, 79.0, -3.51099991798401 -InChI%3D1S%2FC19H21N%2Fc1-20-14-6-11-19-17-9-4-2-7-15%2817%2912-13-16-8-3-5-10-18%2816%2919%2Fh2-5%2C7-11%2C20H%2C6%2C12-14H2%2C1H3, 35.4497985839844, 1.0, 3.0, 0.0390062518417835, , 14.0, 1.0, 22.0, 12.0, 5.0, 12.0, -0.197500005364418, 3.0, 3.44000005722046, 41.0, 8.03600025177002 -InChI%3D1S%2FC27H34N2O7%2Fc1-5-36-27%2833%2921%2812-11-18-9-7-6-8-10-18%2928-17%282%2925%2830%2929-16-20-15-24%2835-4%2923%2834-3%2914-19%2820%2913-22%2829%2926%2831%2932%2Fh6-10%2C14-15%2C17%2C21-22%2C28H%2C5%2C11-13%2C16H2%2C1-4H3%2C%28H%2C31%2C32%29%2Ft17-%2C21-%2C22-%2Fm0%2Fs1, 82.0962982177734, 1.0, 4.0, 2.91931390762329, , 8.0, 2.0, 38.0, 12.0, 13.0, 12.0, -1.70860004425049, 13.0, 3.44000005722046, 70.0, 4.85900020599365 -InChI%3D1S%2FC29H41NO4%2Fc1-25%282%2C3%2926%284%2C32%2920-15-27-10-11-29%2820%2C33-5%2924-28%2827%2912-13-30%2816-17-6-7-17%2921%2827%2914-18-8-9-19%2831%2923%2834-24%2922%2818%2928%2Fh8-9%2C17%2C20-21%2C24%2C31-32H%2C6-7%2C10-16H2%2C1-5H3%2Ft20-%2C21-%2C24-%2C26%2B%2C27%3F%2C28%2B%2C29%3F%2Fm1%2Fs1, 105.786796569824, 0.0, 4.0, 0.123622559010983, , 8.0, 2.0, 40.0, 6.0, 7.0, 6.0, 0.351599991321564, 5.0, 4.09999990463257, 75.0, 3.87100005149841 -InChI%3D1S%2FC9H13NO%2Fc1-7%2810%299%2811%298-5-3-2-4-6-8%2Fh2-7%2C9%2C11H%2C10H2%2C1H3%2Ft7-%2C9-%2Fm1%2Fs1, 19.4811992645264, 0.0, 3.0, 1.58684408664703, , 6.0, 2.0, 11.0, 6.0, 5.0, 6.0, -1.25969994068146, 2.0, 2.23000001907349, 24.0, 2.13000011444092 -InChI%3D1S%2FC16H16N4O8S%2Fc1-26-19-9%288-3-2-4-27-8%2912%2821%2918-10-13%2822%2920-11%2815%2823%2924%297%285-28-16%2817%2925%296-29-14%2810%2920%2Fh2-4%2C10%2C14H%2C5-6H2%2C1H3%2C%28H2%2C17%2C25%29%28H%2C18%2C21%29%28H%2C23%2C24%29%2Fb19-9-%2Ft10%3F%2C14-%2Fm1%2Fs1, 80.6473007202148, 0.0, 2.0, 0.147609636187553, , 11.0, 4.0, 31.0, 5.0, 7.0, 5.0, -0.384200006723404, 8.0, 1.78999996185303, 45.0, 0.428000003099442 -InChI%3D1S%2FC17H26ClN%2Fc1-13%282%2912-16%2819%283%294%2917%2810-5-11-17%2914-6-8-15%2818%299-7-14%2Fh6-9%2C13%2C16H%2C5%2C10-12H2%2C1-4H3, 57.2873992919922, 1.0, 4.0, 1.45733189582825, , 6.0, 0.0, 20.0, 6.0, 8.0, 6.0, 1.207200050354, 5.0, 3.10999989509583, 45.0, 5.60799980163574 -InChI%3D1S%2FC8H11N3O3S%2Fc9-5-1-2-11%288%2813%2910-5%296-4-15-7%283-12%2914-6%2Fh1-2%2C6-7%2C12H%2C3-4H2%2C%28H2%2C9%2C10%2C13%29%2Ft6-%2C7%2B%2Fm1%2Fs1, 54.5671005249023, 0.0, 0.0, 0.0110040102154016, , 3.0, 4.0, 16.0, 0.0, 1.0, 0.0, 0.104900002479553, 2.0, 1.57000005245209, 30.0, -0.832000017166138 -InChI%3D1S%2FC14H15N7.2C4H7NO3%2Fc15-13%2816%299-1-5-11%286-2-9%2919-21-20-12-7-3-10%284-8-12%2914%2817%2918%3B2%2A1-3%286%295-2-4%287%298%2Fh1-8H%2C%28H3%2C15%2C16%29%28H3%2C17%2C18%29%28H%2C19%2C20%29%3B2%2A2H2%2C1H3%2C%28H%2C5%2C6%29%28H%2C7%2C8%29, 75.9756011962891, , 2.0, 4.28614187240601, , 21.0, 9.0, 36.0, 12.0, 8.0, 12.0, -2.07030010223389, 9.0, 2.23000001907349, 66.0, -InChI%3D1S%2FC28H38O3%2Fc1-26-11-14-28%2815-12-26%2C16-13-26%2925%2830%2931-24-8-7-23-22-5-3-18-17-19%2829%294-6-20%2818%2921%2822%299-10-27%2823%2C24%292%2Fh11%2C14%2C17%2C20-24H%2C3-10%2C12-13%2C15-16H2%2C1-2H3%2Ft20%3F%2C21-%2C22%3F%2C23%2B%2C24%2B%2C26%3F%2C27%3F%2C28%3F%2Fm1%2Fs1, 120.455101013184, 1.0, 0.0, 0.748917162418365, , 4.0, 0.0, 36.0, 0.0, 3.0, 0.0, 0.865400016307831, 3.0, 4.21000003814697, 69.0, 6.75600004196167 -InChI%3D1S%2FC19H17N3O4S2%2Fc23-14%289-13-5-4-8-27-13%2920-15-17%2824%2922-16%2819%2825%2926%2912%2811-28-18%2815%2922%2910-21-6-2-1-3-7-21%2Fh1-8%2C15%2C18H%2C9-11H2%2C%28H-%2C20%2C23%2C25%2C26%29%2Ft15%3F%2C18-%2Fm1%2Fs1, 65.3464965820312, 0.0, 2.0, 4.1542592048645, , 8.0, 2.0, 31.0, 11.0, 4.0, 5.0, -2.03819990158081, 6.0, 2.55999994277954, 46.0, 1.03100001811981 -InChI%3D1S%2FC8H11Cl3O6%2Fc9-8%2810%2C11%297-16-5-3%2814%294%282%2813%291-12%2915-6%285%2917-7%2Fh2-7%2C12-14H%2C1H2%2Ft2-%2C3%2B%2C4%3F%2C5%3F%2C6-%2C7%2B%2Fm1%2Fs1, 58.1488990783691, 0.0, 2.0, 0.00649636005982757, , 0.0, 3.0, 18.0, 0.0, 4.0, 0.0, -0.0806000009179115, 3.0, 1.35000002384186, 28.0, -0.145999997854233 -InChI%3D1S%2FC20H24N2O2S%2Fc1-3-22%284-2%2912-11-21-16-10-9-14%2813-23%2920-18%2816%2919%2824%2915-7-5-6-8-17%2815%2925-20%2Fh5-10%2C21%2C23H%2C3-4%2C11-13H2%2C1-2H3, 56.0196990966797, 0.0, 2.0, 0.0398002490401268, , 15.0, 2.0, 27.0, 12.0, 8.0, 12.0, 0.199499994516373, 7.0, 3.10999989509583, 49.0, 3.08400011062622 -InChI%3D1S%2FC33H47NO13%2Fc1-18-10-8-6-4-3-5-7-9-11-21%2845-32-30%2839%2928%2834%2929%2838%2919%282%2944-32%2915-25-27%2831%2840%2941%2922%2836%2917-33%2842%2C47-25%2916-20%2835%2914-24-23%2846-24%2912-13-26%2837%2943-18%2Fh3-9%2C11-13%2C18-25%2C27-30%2C32%2C35-36%2C38-39%2C42H%2C10%2C14-17%2C34H2%2C1-2H3%2C%28H%2C40%2C41%29%2Fb4-3%2B%2C7-5%2B%2C8-6%2B%2C11-9%2B%2C13-12%2B%2Ft18-%2C19-%2C20%2B%2C21%2B%2C22%2B%2C23-%2C24%3F%2C25%3F%2C27-%2C28%2B%2C29-%2C30%2B%2C32%3F%2C33-%2Fm1%2Fs1, 162.922607421875, 2.0, 0.0, 9.65407085418701, , 8.0, 7.0, 50.0, 0.0, 2.0, 0.0, -3.10710000991821, 3.0, 3.54999995231628, 94.0, 1.08200001716614 -InChI%3D1S%2FC11H12ClNO3S%2Fc1-13-10%2814%296-7-17%2815%2C16%2911%2813%298-2-4-9%2812%295-3-8%2Fh2-5%2C11H%2C6-7H2%2C1H3, 39.834300994873, 0.0, 0.0, 0.00121103995479643, , 6.0, 0.0, 18.0, 6.0, 0.0, 6.0, -0.0348000004887581, 1.0, 2.00999999046326, 29.0, 1.27199995517731 -InChI%3D1S%2FC9H14N2O3%2Fc1-4-9%285-2%296%2812%2910-8%2814%2911%283%297%289%2913%2Fh4-5H2%2C1-3H3%2C%28H%2C10%2C12%2C14%29, 49.6786994934082, 0.0, 2.0, 0.386137962341309, , 8.0, 1.0, 14.0, 0.0, 2.0, 0.0, -0.621399998664856, 2.0, 1.89999997615814, 28.0, 0.910000026226044 -InChI%3D1S%2FC11H12N4O2S%2Fc1-8-6-7-13-11%2814-8%2915-18%2816%2C17%2910-4-2-9%2812%293-5-10%2Fh2-7H%2C12H2%2C1H3%2C%28H%2C13%2C14%2C15%29, 21.0962009429932, 0.0, 0.0, 1.55475962162018, , 17.0, 2.0, 19.0, 12.0, 4.0, 12.0, -1.24689996242523, 3.0, 1.89999997615814, 30.0, 1.23699998855591 -InChI%3D1S%2FC10H21N%2Fc1-9%2811-2%298-10-6-4-3-5-7-10%2Fh9-11H%2C3-8H2%2C1-2H3, 43.1862983703613, 0.0, 3.0, 0.519120275974274, , 0.0, 1.0, 11.0, 0.0, 5.0, 0.0, -0.720499992370605, 3.0, 2.45000004768372, 32.0, 3.5090000629425 -InChI%3D1S%2FC22H31NO3%2Fc1-3-23%284-2%2917-11-12-18-26-21%2824%2922%2825%2C19-13-7-5-8-14-19%2920-15-9-6-10-16-20%2Fh5%2C7-8%2C13-14%2C20%2C25H%2C3-4%2C6%2C9-10%2C15-18H2%2C1-2H3, 72.4673004150391, 1.0, 4.0, 0.0265689995139837, , 6.0, 1.0, 27.0, 6.0, 14.0, 6.0, -0.163000002503395, 8.0, 3.44000005722046, 57.0, 5.37400007247925 -InChI%3D1S%2FC8H9NO%2Fc1-7%2810%299-8-5-3-2-4-6-8%2Fh2-6H%2C1H3%2C%28H%2C9%2C10%29, 13.9007997512817, 0.0, 2.0, 0.00514088990166783, , 9.0, 1.0, 10.0, 6.0, 4.0, 6.0, -0.0716999992728233, 1.0, 2.11999988555908, 19.0, 2.83999991416931 -InChI%3D1S%2FC21H27NO%2Fc1-5-20%2823%2921%2816-17%282%2922%283%294%2C18-12-8-6-9-13-18%2919-14-10-7-11-15-19%2Fh6-15%2C17H%2C5%2C16H2%2C1-4H3, 46.8678016662598, 1.0, 7.0, 0.0709689632058144, , 6.0, 0.0, 24.0, 12.0, 11.0, 12.0, -0.266400009393692, 7.0, 3.54999995231628, 50.0, 7.24700021743774 -InChI%3D1S%2FC30H32N2O2%2Fc1-2-34-28%2833%2929%2825-12-6-3-7-13-25%2918-21-32%2822-19-29%2923-20-30%2824-31%2C26-14-8-4-9-15-26%2927-16-10-5-11-17-27%2Fh3-17H%2C2%2C18-23H2%2C1H3, 58.1118011474609, 1.0, 4.0, 0.138012245297432, , 6.0, 0.0, 37.0, 18.0, 5.0, 18.0, 0.371499985456467, 9.0, 4.32000017166138, 66.0, 10.1479997634888 -InChI%3D1S%2FC22H20N4O8S2%2Fc23-18%2827%2913-6-8-25%289-7-13%2910-14-11-35-21-15%2820%2829%2926%2821%2916%2814%2922%2830%2931%2924-19%2828%2917%2836%2832%2C33%2934%2912-4-2-1-3-5-12%2Fh1-9%2C15%2C17%2C21H%2C10-11H2%2C%28H4-%2C23%2C24%2C27%2C28%2C30%2C31%2C32%2C33%2C34%29%2Ft15-%2C17%3F%2C21-%2Fm1%2Fs1, 75.7223968505859, 1.0, 2.0, 11.8597583770752, , 8.0, 5.0, 39.0, 12.0, 8.0, 6.0, -3.44379997253418, 8.0, 2.33999991416931, 57.0, 0.865000009536743 -InChI%3D1S%2FC19H17Cl2N3O5S%2Fc1-7-10%2812%2823-29-7%2911-8%2820%295-4-6-9%2811%2921%2915%2825%2922-13-16%2826%2924-14%2818%2827%2928%2919%282%2C3%2930-17%2813%2924%2Fh4-6%2C13-14%2C17H%2C1-3H3%2C%28H%2C22%2C25%29%28H%2C27%2C28%29%2Ft13%3F%2C14-%2C17%2B%2Fm0%2Fs1, 73.1045989990234, 0.0, 0.0, 3.31422019004822, , 6.0, 3.0, 33.0, 11.0, 3.0, 6.0, 1.82050001621246, 4.0, 2.33999991416931, 47.0, 2.64199995994568 -InChI%3D1S%2FC21H40O7S.Na%2Fc1-5-9-11-13-18%288-4%2915-27-20%2822%2914-19%2829%2824%2C25%2926%2921%2823%2928-16-17%287-3%2912-10-6-2%3B%2Fh17-19H%2C5-16H2%2C1-4H3%2C%28H%2C24%2C25%2C26%29%3B%2Fq%3B%2B1%2Fp-1, , 2.0, 8.0, , , 3.0, 0.0, 28.0, 0.0, 29.0, 0.0, , 19.0, 2.77999997138977, 69.0, 5.60900020599365 -InChI%3D1S%2FC21H27ClN2O2%2Fc22-20-8-6-19%287-9-20%2921%2818-4-2-1-3-5-18%2924-12-10-23%2811-13-24%2914-16-26-17-15-25%2Fh1-9%2C21%2C25H%2C10-17H2, 56.6907997131348, 0.0, 2.0, 0.0394816882908344, , 6.0, 1.0, 28.0, 12.0, 6.0, 12.0, 0.198699995875359, 8.0, 3.22000002861023, 53.0, 4.1230001449585 -InChI%3D1S%2FC20H22N8O5%2Fc1-28%289-11-8-23-17-15%2824-11%2916%2821%2926-20%2822%2927-17%2912-4-2-10%283-5-12%2918%2831%2925-13%2819%2832%2933%296-7-14%2829%2930%2Fh2-5%2C8%2C13H%2C6-7%2C9H2%2C1H3%2C%28H%2C25%2C31%29%28H%2C29%2C30%29%28H%2C32%2C33%29%28H4%2C21%2C22%2C23%2C26%2C27%29%2Ft13-%2Fm0%2Fs1, 64.5699005126953, 2.0, 5.0, 6.17423105239868, , 10.0, 6.0, 35.0, 12.0, 12.0, 12.0, -2.48480010032654, 10.0, 2.23000001907349, 57.0, -1.91499996185303 -InChI%3D1S%2FC24H25NO4%2Fc1-17-21%2826%2919-11-8-12-20%2823%2819%2929-22%2817%2918-9-4-2-5-10-18%2924%2827%2928-16-15-25-13-6-3-7-14-25%2Fh2%2C4-5%2C8-12H%2C3%2C6-7%2C13-16H2%2C1H3, 56.4903984069824, 1.0, 2.0, 1.14276099205017, , 12.0, 0.0, 32.0, 12.0, 5.0, 12.0, -1.06900000572205, 6.0, 3.54999995231628, 56.0, 5.19799995422363 -InChI%3D1S%2FC9H13N2O2.BrH%2Fc1-10%282%299%2812%2913-8-5-4-6-11%283%297-8%3B%2Fh4-7H%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1, , 0.0, 0.0, , , 4.0, 1.0, 13.0, 6.0, 6.0, 0.0, , 3.0, 1.89999997615814, 28.0, 1.77699995040894 -InChI%3D1S%2FC13H15NO2%2Fc1-2-13%2810-6-4-3-5-7-10%299-8-11%2815%2914-12%2813%2916%2Fh3-7H%2C2%2C8-9H2%2C1H3%2C%28H%2C14%2C15%2C16%29, 35.6035003662109, 0.0, 2.0, 0.667488992214203, , 6.0, 1.0, 17.0, 6.0, 2.0, 6.0, -0.816999971866608, 2.0, 2.55999994277954, 31.0, 4.01599979400635 -InChI%3D1S%2FC20H41N5O7%2Fc1-8%2821%2912-5-4-9%2822%2918%2830-12%2931-15-10%2823%296-11%2824%2916%2813%2815%2926%2932-19-14%2827%2917%2825-3%2920%282%2C28%297-29-19%2Fh8-19%2C25-28H%2C4-7%2C21-24H2%2C1-3H3%2Ft8%3F%2C9-%2C10%2B%2C11-%2C12%2B%2C13%2B%2C14-%2C15-%2C16%3F%2C17-%2C18%3F%2C19-%2C20%3F%2Fm1%2Fs1, 107.770500183105, 2.0, 0.0, 38.4536399841309, , 0.0, 8.0, 34.0, 0.0, 2.0, 0.0, -6.20109987258911, 6.0, 2.33999991416931, 73.0, -3.26999998092651 -InChI%3D1S%2FC22H30O%2Fc1-4-21-14-15%283%2920-17-9-7-6-8-16%2817%2910-11-18%2820%2919%2821%2912-13-22%2821%2C23%295-2%2Fh2%2C8%2C17-20%2C23H%2C3-4%2C6-7%2C9-14H2%2C1H3%2Ft17-%2C18%3F%2C19-%2C20%2B%2C21%3F%2C22-%2Fm0%2Fs1, 91.9936981201172, 1.0, 2.0, 3.04118728637695, , 2.0, 1.0, 26.0, 0.0, 2.0, 0.0, 1.7438999414444, 1.0, 3.76999998092651, 53.0, 5.49200010299683 -InChI%3D1S%2FC3H6N2O2%2Fc4-2-1-7-5-3%282%296%2Fh2H%2C1%2C4H2%2C%28H%2C5%2C6%29, 22.3526000976562, 0.0, 0.0, 1.27938723564148, , 4.0, 2.0, 7.0, 0.0, 0.0, 0.0, -1.1311000585556, 0.0, 1.35000002384186, 13.0, -0.0240000002086163 -InChI%3D1S%2FC11H12N2S%2Fc1-2-4-9%285-3-1%2910-8-13-6-7-14-11%2813%2912-10%2Fh1-5%2C10H%2C6-8H2%2Ft10-%2Fm1%2Fs1, 33.9342994689941, 0.0, 0.0, 0.254722088575363, , 6.0, 0.0, 16.0, 6.0, 0.0, 6.0, 0.504700005054474, 1.0, 2.33999991416931, 26.0, 3.90499997138977 -InChI%3D1S%2FC8H16O2%2Fc1-3-5-7%286-4-2%298%289%2910%2Fh7H%2C3-6H2%2C1-2H3%2C%28H%2C9%2C10%29, 37.3651008605957, 0.0, 7.0, 0.120200887322426, , 3.0, 1.0, 9.0, 0.0, 10.0, 0.0, -0.346700012683868, 5.0, 2.11999988555908, 26.0, 2.74200010299683 -InChI%3D1S%2FC13H8Cl2O4S%2Fc14-11-7%2813%2818%299-2-1-5-20-9%293-4-8%2812%2811%2915%2919-6-10%2816%2917%2Fh1-5H%2C6H2%2C%28H%2C16%2C17%29, 37.7710990905762, 0.0, 2.0, 1.48766803741455, , 14.0, 1.0, 21.0, 11.0, 5.0, 11.0, 1.21969997882843, 5.0, 2.11999988555908, 28.0, 2.86400008201599 -InChI%3D1S%2FC15H11I4NO4%2Fc16-8-4-7%285-9%2817%2913%288%2921%2924-14-10%2818%291-6%282-11%2814%2919%293-12%2820%2915%2822%2923%2Fh1-2%2C4-5%2C12%2C21H%2C3%2C20H2%2C%28H%2C22%2C23%29, 79.5980987548828, 0.0, 3.0, 15.853138923645, , 14.0, 3.0, 25.0, 12.0, 6.0, 12.0, 3.98160004615784, 5.0, 2.11999988555908, 35.0, 2.84699988365173 -InChI%3D1S%2FC11H14N2S%2Fc1-13-8-3-7-12-11%2813%296-5-10-4-2-9-14-10%2Fh2%2C4-6%2C9H%2C3%2C7-8H2%2C1H3, 44.5815010070801, 0.0, 2.0, 0.00781456008553505, , 10.0, 0.0, 15.0, 5.0, 2.0, 5.0, 0.0883999988436699, 2.0, 2.33999991416931, 28.0, 3.05200004577637 -InChI%3D1S%2FC24H34O5%2Fc1-13%284-7-21%2828%2929%2916-5-6-17-22-18%2812-20%2827%2924%2816%2C17%293%2923%282%299-8-15%2825%2910-14%2823%2911-19%2822%2926%2Fh13-14%2C16-18%2C22H%2C4-12H2%2C1-3H3%2C%28H%2C28%2C29%29%2Ft13-%2C14%2B%2C16-%2C17%3F%2C18%2B%2C22%3F%2C23%2B%2C24-%2Fm1%2Fs1, 106.14769744873, 0.0, 5.0, 0.00923520978540182, , 3.0, 1.0, 32.0, 0.0, 7.0, 0.0, 0.0961000025272369, 4.0, 3.54999995231628, 63.0, 2.66400003433228 -InChI%3D1S%2FC9H17NO5%2Fc1-9%282%2C5-11%297%2814%298%2815%2910-4-3-6%2812%2913%2Fh7%2C11%2C14H%2C3-5H2%2C1-2H3%2C%28H%2C10%2C15%29%28H%2C12%2C13%29%2Ft7-%2Fm0%2Fs1, 51.5592002868652, 0.0, 4.0, 0.423931211233139, , 3.0, 4.0, 14.0, 0.0, 15.0, 0.0, -0.651099979877472, 6.0, 1.78999996185303, 32.0, -0.925000011920929 -InChI%3D1S%2FC16H12O3%2Fc1-19-11-8-6-10%287-9-11%2914-15%2817%2912-4-2-3-5-13%2812%2916%2814%2918%2Fh2-9%2C14H%2C1H3, 21.6294002532959, 0.0, 0.0, 0.524320781230927, , 10.0, 0.0, 21.0, 12.0, 2.0, 12.0, -0.72409999370575, 2.0, 2.89000010490417, 31.0, 3.125 -InChI%3D1S%2FC21H27N%2Fc1-16%2815-22%282%293%2914-21-19-10-6-4-8-17%2819%2912-13-18-9-5-7-11-20%2818%2921%2Fh4-11%2C16%2C21H%2C12-15H2%2C1-3H3, 45.9147987365723, 1.0, 3.0, 0.175644814968109, , 6.0, 0.0, 24.0, 12.0, 7.0, 12.0, 0.419099986553192, 4.0, 3.66000008583069, 49.0, 8.9069995880127 -InChI%3D1S%2FC22H27ClN2O%2Fc1-17%282%2924-14-12-21%2813-15-24%2925%2820-10-8-19%2823%299-11-20%2922%2826%2916-18-6-4-3-5-7-18%2Fh3-11%2C17%2C21H%2C12-16H2%2C1-2H3, 54.345100402832, 1.0, 2.0, 0.154842242598534, , 9.0, 0.0, 28.0, 12.0, 4.0, 12.0, -0.393500000238419, 6.0, 3.44000005722046, 53.0, 6.7189998626709 -InChI%3D1S%2FC29H33FO6%2Fc1-17-13-22-21-10-9-19-14-20%2832%2911-12-26%2819%2C2%2928%2821%2C30%2923%2833%2915-27%2822%2C3%2929%2817%2C24%2834%2916-31%2936-25%2835%2918-7-5-4-6-8-18%2Fh4-8%2C11-12%2C14%2C17%2C21-23%2C31%2C33H%2C9-10%2C13%2C15-16H2%2C1-3H3%2Ft17-%2C21-%2C22%3F%2C23-%2C26-%2C27-%2C28%3F%2C29-%2Fm0%2Fs1, 105.022399902344, 0.0, 2.0, 0.330395042896271, , 9.0, 2.0, 40.0, 6.0, 4.0, 6.0, -0.57480001449585, 5.0, 3.88000011444092, 69.0, 4.19500017166138 -InChI%3D1S%2FC12H13ClN4%2Fc1-2-9-10%2811%2814%2917-12%2815%2916-9%297-3-5-8%2813%296-4-7%2Fh3-6H%2C2H2%2C1H3%2C%28H4%2C14%2C15%2C16%2C17%29, 39.2258987426758, 0.0, 2.0, 0.876283228397369, , 6.0, 4.0, 18.0, 6.0, 2.0, 6.0, -0.936100006103516, 2.0, 2.23000001907349, 34.0, 2.88899993896484 -InChI%3D1S%2FC11H12N2O.2C2H3Cl3O2%2Fc1-9-8-11%2814%2913%2812%289%292%2910-6-4-3-5-7-10%3B2%2A3-2%284%2C5%291%286%297%2Fh3-8H%2C1-2H3%3B2%2A1%2C6-7H, 88.3733978271484, , 2.0, 1.7318559885025, , 10.0, 4.0, 27.0, 6.0, 7.0, 6.0, 1.31599998474121, 3.0, 1.67999994754791, 48.0, -InChI%3D1S%2FC18H24O2%2Fc1-18-9-8-14-13-5-3-12%2819%2910-11%2813%292-4-15%2814%2916%2818%296-7-17%2818%2920%2Fh3%2C5%2C10%2C14-17%2C19-20H%2C2%2C4%2C6-9H2%2C1H3%2Ft14-%2C15%3F%2C16%2B%2C17%2B%2C18%3F%2Fm1%2Fs1, 52.5960998535156, 0.0, 0.0, 0.220806002616882, , 7.0, 2.0, 23.0, 6.0, 0.0, 6.0, -0.469900012016296, 0.0, 3.22000002861023, 44.0, 4.64599990844727 -InChI%3D1S%2FC16H12ClNO3%2Fc1-9%2816%2819%2920%2911-4-7-14-13%288-11%2918-15%2821-14%2910-2-5-12%2817%296-3-10%2Fh2-9H%2C1H3%2C%28H%2C19%2C20%29, 23.8080997467041, 0.0, 3.0, 0.416283041238785, , 15.0, 2.0, 23.0, 16.0, 5.0, 15.0, 0.64520001411438, 3.0, 2.67000007629395, 33.0, 3.89100003242493 -InChI%3D1S%2FC26H28N2%2Fc1-4-11-23%2812-5-1%2913-10-18-27-19-21-28%2822-20-27%2926%2824-14-6-2-7-15-24%2925-16-8-3-9-17-25%2Fh1-17%2C26H%2C18-22H2, 43.0735015869141, 1.0, 3.0, 0.251803249120712, , 8.0, 0.0, 31.0, 18.0, 3.0, 18.0, 0.501800000667572, 6.0, 4.09999990463257, 56.0, 9.86600017547607 -InChI%3D1S%2FC23H16O11%2Fc24-11%289-31-14-3-1-5-16-20%2814%2912%2825%297-18%2833-16%2922%2827%2928%2910-32-15-4-2-6-17-21%2815%2913%2826%298-19%2834-17%2923%2829%2930%2Fh1-8%2C11%2C24H%2C9-10H2%2C%28H%2C27%2C28%29%28H%2C29%2C30%29, 62.7378997802734, 0.0, 3.0, 5.54932260513306, , 10.0, 3.0, 37.0, 12.0, 6.0, 12.0, -2.35570001602173, 8.0, 2.77999997138977, 54.0, 0.148000001907349 -InChI%3D1S%2FC5H11NO2%2Fc1-5%282%293-4-8-6-7%2Fh5H%2C3-4H2%2C1-2H3, 28.7031002044678, 0.0, 4.0, 3.07265830039978, , 3.0, 0.0, 7.0, 0.0, 8.0, 0.0, -1.7529000043869, 4.0, 1.67999994754791, 19.0, 2.71000003814697 -InChI%3D1S%2FC21H26N2OS2%2Fc1-22-13-6-5-7-16%2822%2912-14-23-18-8-3-4-9-20%2818%2925-21-11-10-17%2826%282%2924%2915-19%2821%2923%2Fh3-4%2C8-11%2C15-16H%2C5-7%2C12-14H2%2C1-2H3, 58.6167984008789, 0.0, 2.0, 0.772289454936981, , 15.0, 0.0, 29.0, 12.0, 2.0, 12.0, -0.878799974918365, 4.0, 3.22000002861023, 52.0, 3.59999990463257 -InChI%3D1S%2FC12H21N%2Fc1-8%2813%2912-5-9-2-10%286-12%294-11%283-9%297-12%2Fh8-11H%2C2-7%2C13H2%2C1H3, 53.407600402832, 0.0, 2.0, 0.78552770614624, , 0.0, 1.0, 15.0, 0.0, 3.0, 0.0, -0.886300027370453, 1.0, 2.67000007629395, 34.0, 3.57800006866455 -InChI%3D1S%2FC19H30O3%2Fc1-17-11-22-16%2820%2910-12%2817%294-5-13-14%2817%296-8-18%282%2915%2813%297-9-19%2818%2C3%2921%2Fh12-15%2C21H%2C4-11H2%2C1-3H3%2Ft12-%2C13%3F%2C14-%2C15-%2C17%3F%2C18-%2C19-%2Fm0%2Fs1, 82.2742004394531, 0.0, 0.0, 0.728632986545563, , 3.0, 1.0, 25.0, 0.0, 0.0, 0.0, 0.853600025177002, 0.0, 3.22000002861023, 52.0, 4.15000009536743 -InChI%3D1S%2FC10H13NO2%2Fc1-2-3-4-8-5-6-9%2810%2812%2913%2911-7-8%2Fh5-7H%2C2-4H2%2C1H3%2C%28H%2C12%2C13%29, 23.8066005706787, 0.0, 4.0, 0.492944419384003, , 9.0, 1.0, 13.0, 6.0, 4.0, 6.0, -0.702099978923798, 4.0, 2.23000001907349, 26.0, 2.84400010108948 -InChI%3D1S%2FC6H8O7%2Fc7-3%288%291-6%2813%2C5%2811%2912%292-4%289%2910%2Fh13H%2C1-2H2%2C%28H%2C7%2C8%29%28H%2C9%2C10%29%28H%2C11%2C12%29, 35.6239013671875, 0.0, 5.0, 1.94602501392365, , 3.0, 4.0, 12.0, 0.0, 13.0, 0.0, -1.39499998092651, 5.0, 1.35000002384186, 21.0, -2.24699997901917 -InChI%3D1S%2FC9H10N2O3%2Fc10-7-3-1-6%282-4-7%299%2814%2911-5-8%2812%2913%2Fh1-4H%2C5%2C10H2%2C%28H%2C11%2C14%29%28H%2C12%2C13%29, 23.4449005126953, 0.0, 2.0, 3.33537173271179, , 10.0, 3.0, 14.0, 6.0, 7.0, 6.0, -1.82630002498627, 4.0, 1.89999997615814, 24.0, -1.99100005626678 -InChI%3D1S%2FC19H26NO4.BrH%2Fc1-3-20%282%2915-9-13%2810-16%2820%2918-17%2815%2924-18%2923-19%2822%2914%2811-21%2912-7-5-4-6-8-12%3B%2Fh4-8%2C13-18%2C21H%2C3%2C9-11H2%2C1-2H3%3B1H%2Fq%2B1%3B%2Fp-1%2Ft13-%2C14-%2C15-%2C16%2B%2C17%3F%2C18%2B%2C20%3F%3B%2Fm1.%2Fs1, , 0.0, 3.0, , , 6.0, 1.0, 27.0, 6.0, 6.0, 6.0, , 6.0, 2.89000010490417, 51.0, 3.57800006866455 -InChI%3D1S%2FC13H16N2O2%2Fc1-2-3-9-11-12%2816%2914-15%2813%2811%2917%2910-7-5-4-6-8-10%2Fh4-8%2C11H%2C2-3%2C9H2%2C1H3%2C%28H%2C14%2C16%29, 35.7131996154785, 0.0, 4.0, 1.27735209465027, , 12.0, 1.0, 18.0, 6.0, 4.0, 6.0, -1.13020002841949, 4.0, 2.45000004768372, 33.0, 4.11800003051758 -InChI%3D1S%2FC24H36O5%2Fc1-5-15%283%2924%2827%2929-21-11-14%282%2910-17-7-6-16%284%2920%2823%2817%2921%299-8-19-12-18%2825%2913-22%2826%2928-19%2Fh6-7%2C10%2C14-16%2C18-21%2C23%2C25H%2C5%2C8-9%2C11-13H2%2C1-4H3%2Ft14-%2C15-%2C16-%2C18%2B%2C19%2B%2C20-%2C21%3F%2C23-%2Fm0%2Fs1, 105.645500183105, 0.0, 4.0, 0.00984064023941755, , 4.0, 1.0, 31.0, 0.0, 7.0, 0.0, -0.099200002849102, 7.0, 3.54999995231628, 65.0, 4.57399988174438 -InChI%3D1S%2FC53H72N2O12.2C6H6O3S%2Fc1-54%2822-18-38-32-48%2862-7%2950%2864-9%2934-40%2838%2942%2854%2928-36-14-16-44%2858-3%2946%2830-36%2960-5%2924-20-52%2856%2966-26-12-11-13-27-67-53%2857%2921-25-55%282%2923-19-39-33-49%2863-8%2951%2865-10%2935-41%2839%2943%2855%2929-37-15-17-45%2859-4%2947%2831-37%2961-6%3B2%2A7-10%288%2C9%296-4-2-1-3-5-6%2Fh14-17%2C30-35%2C42-43H%2C11-13%2C18-29H2%2C1-10H3%3B2%2A1-5H%2C%28H%2C7%2C8%2C9%29%2Fq%2B2%3B%3B%2Fp-2, 171.322998046875, 2.0, 5.0, 34.9044647216797, , 10.0, 0.0, 92.0, 36.0, 15.0, 36.0, -5.90799999237061, 28.0, 6.19000005722046, 169.0, 8.79399967193604 -InChI%3D1S%2FC17H19N3%2Fc1-19-9-10-20-16%2812-19%2915-7-3-2-5-13%2815%2911-14-6-4-8-18-17%2814%2920%2Fh2-8%2C16H%2C9-12H2%2C1H3, 33.6282005310059, 0.0, 0.0, 0.324102491140366, , 7.0, 0.0, 23.0, 12.0, 0.0, 12.0, 0.5692999958992, 0.0, 3.0, 39.0, 3.61299991607666 -InChI%3D1S%2FC19H23NO%2Fc1-20-14-12-18%2813-15-20%2921-19%2816-8-4-2-5-9-16%2917-10-6-3-7-11-17%2Fh2-11%2C18-19H%2C12-15H2%2C1H3, 32.2571983337402, 1.0, 0.0, 0.479140847921371, , 6.0, 0.0, 23.0, 12.0, 2.0, 12.0, -0.692200005054474, 4.0, 3.32999992370605, 44.0, 6.26900005340576 -InChI%3D1S%2FC17H14F3N3O2S%2Fc1-11-2-4-12%285-3-11%2915-10-16%2817%2818%2C19%2920%2922-23%2815%2913-6-8-14%289-7-13%2926%2821%2C24%2925%2Fh2-10H%2C1H3%2C%28H2%2C21%2C24%2C25%29, 25.9762992858887, 1.0, 0.0, 0.667162239551544, , 21.0, 1.0, 28.0, 17.0, 3.0, 17.0, 0.816799998283386, 4.0, 2.33999991416931, 40.0, 5.41699981689453 -InChI%3D1S%2FC5H9N3%2Fc6-3-1-5-2-4-7-8-5%2Fh2%2C4H%2C1%2C3%2C6H2%2C%28H%2C7%2C8%29, 11.8458995819092, 0.0, 2.0, 1.05329167842865, , 2.0, 3.0, 8.0, 5.0, 3.0, 0.0, -1.02629995346069, 2.0, 1.67999994754791, 16.0, 0.123999997973442 -InChI%3D1S%2FC15H18I3NO3.Na%2Fc1-3-5-12%2820%2919-14-11%2817%297-10%2816%299%2813%2814%2918%296-8%284-2%2915%2821%2922%3B%2Fh7-8H%2C3-6H2%2C1-2H3%2C%28H%2C19%2C20%29%28H%2C21%2C22%29%3B%2Fq%3B%2B1%2Fp-1, , 1.0, 4.0, , , 9.0, 1.0, 22.0, 6.0, 7.0, 6.0, , 7.0, 2.23000001907349, 40.0, 5.80200004577637 -InChI%3D1S%2FC6H13NO5%2Fc7-3-5%2810%294%289%292%281-8%2912-6%283%2911%2Fh2-6%2C8-11H%2C1%2C7H2%2Ft2%3F%2C3-%2C4-%2C5-%2C6-%2Fm1%2Fs1, 37.5808982849121, 0.0, 0.0, 7.85680913925171, , 0.0, 5.0, 12.0, 0.0, 2.0, 0.0, -2.80299997329712, 1.0, 1.46000003814697, 25.0, -1.76400005817413 -InChI%3D1S%2FC14H20N2O2%2Fc1-14%282%2C3%2916-9-12%2817%2910-18-13-7-5-4-6-11%2813%298-15%2Fh4-7%2C12%2C16-17H%2C9-10H2%2C1-3H3, 46.0051002502441, 0.0, 3.0, 3.96899995394051e-05, , 9.0, 2.0, 18.0, 6.0, 10.0, 6.0, 0.00630000000819564, 6.0, 2.55999994277954, 38.0, 2.15300011634827 -InChI%3D1S%2FC22H43N5O13%2Fc23-2-1-8%2829%2920%2836%2927-7-3-6%2825%2918%2839-22-16%2834%2915%2833%2913%2831%299%284-24%2937-22%2917%2835%2919%287%2940-21-14%2832%2911%2826%2912%2830%2910%285-28%2938-21%2Fh6-19%2C21-22%2C28-35H%2C1-5%2C23-26H2%2C%28H%2C27%2C36%29%2Ft6-%2C7%3F%2C8-%2C9%2B%2C10%2B%2C11-%2C12%2B%2C13%2B%2C14%2B%2C15-%2C16%2B%2C17-%2C18%2B%2C19-%2C21%3F%2C22%3F%2Fm0%2Fs1, 126.074897766113, 2.0, 4.0, 73.6369934082031, , 3.0, 13.0, 42.0, 0.0, 8.0, 0.0, -8.58119964599609, 10.0, 1.89999997615814, 83.0, -6.07800006866455 -InChI%3D1S%2FC12H15N3O2S%2Fc1-3-6-18-8-4-5-9-10%287-8%2914-11%2813-9%2915-12%2816%2917-2%2Fh4-5%2C7H%2C3%2C6H2%2C1-2H3%2C%28H2%2C13%2C14%2C15%2C16%29, 36.8404006958008, 0.0, 3.0, 0.877969026565552, , 8.0, 3.0, 19.0, 10.0, 5.0, 6.0, 0.936999976634979, 5.0, 2.11999988555908, 32.0, 3.3840000629425 -InChI%3D1S%2FC24H20N6O3%2Fc1-2-33-24-25-20-9-5-8-19%2823%2831%2932%2921%2820%2930%2824%2914-15-10-12-16%2813-11-15%2917-6-3-4-7-18%2817%2922-26-28-29-27-22%2Fh3-13H%2C2%2C14H2%2C1H3%2C%28H%2C31%2C32%29%28H%2C26%2C27%2C28%2C29%29, 26.4391002655029, 1.0, 2.0, 0.000268959993263707, , 13.0, 1.0, 37.0, 27.0, 3.0, 21.0, -0.0164000000804663, 7.0, 3.10999989509583, 52.0, 6.73699998855591 -InChI%3D1S%2FC12H17N4OS.ClH%2Fc1-8-11%283-4-17%2918-7-16%288%296-10-5-14-9%282%2915-12%2810%2913%3B%2Fh5%2C7%2C17H%2C3-4%2C6H2%2C1-2H3%2C%28H2%2C13%2C14%2C15%29%3B1H%2Fq%2B1%3B%2Fp-1, , 0.0, 2.0, , , 3.0, 5.0, 19.0, 5.0, 3.0, 0.0, , 4.0, 2.00999999046326, 41.0, 0.907000005245209 -InChI%3D1S%2FC6H14N2O2%2Fc7-4-2-1-3-5%288%296%289%2910%2Fh5H%2C1-4%2C7-8H2%2C%28H%2C9%2C10%29%2Ft5-%2Fm0%2Fs1, 32.4333000183105, 0.0, 6.0, 7.55755090713501, , 3.0, 3.0, 9.0, 0.0, 10.0, 0.0, -2.74909996986389, 5.0, 1.67999994754791, 24.0, -2.94899988174438 -InChI%3D1S%2FC5H11NS2.Na%2Fc1-3-6%284-2%295%287%298%3B%2Fh3-4H2%2C1-2H3%2C%28H%2C7%2C8%29%3B%2Fq%3B%2B1%2Fp-1, , 0.0, 2.0, , , 4.0, 0.0, 7.0, 0.0, 8.0, 0.0, , 3.0, 1.57000005245209, 19.0, 1.21700000762939 -InChI%3D1S%2FC17H23NO%2Fc1-18-9-8-17-7-3-2-4-14%2817%2916%2818%2910-12-5-6-13%2819%2911-15%2812%2917%2Fh5-6%2C11%2C14%2C16%2C19H%2C2-4%2C7-10H2%2C1H3%2Ft14-%2C16%3F%2C17%3F%2Fm0%2Fs1, 49.1502990722656, 0.0, 0.0, 0.999000251293182, , 7.0, 1.0, 22.0, 6.0, 0.0, 6.0, -0.999499976634979, 0.0, 3.10999989509583, 42.0, 3.68799996376038 -InChI%3D1S%2FC19H25NO%2Fc1-2-10-20-11-9-19-8-4-3-5-16%2819%2918%2820%2912-14-6-7-15%2821%2913-17%2814%2919%2Fh2%2C6-7%2C13%2C16%2C18%2C21H%2C1%2C3-5%2C8-12H2%2Ft16-%2C18%2B%2C19%3F%2Fm0%2Fs1, 58.3129997253418, 0.0, 3.0, 0.146459296345711, , 7.0, 1.0, 24.0, 6.0, 3.0, 6.0, -0.382699996232986, 2.0, 3.32999992370605, 46.0, 4.30299997329712 -InChI%3D1S%2FC16H19ClN2O%2Fc1-19%282%2911-12-20-16%2815-5-3-4-10-18-15%2913-6-8-14%2817%299-7-13%2Fh3-10%2C16H%2C11-12H2%2C1-2H3, 34.3484001159668, 0.0, 2.0, 0.609648644924164, , 6.0, 0.0, 21.0, 12.0, 7.0, 12.0, 0.780799984931946, 6.0, 2.77999997138977, 39.0, 3.54500007629395 -InChI%3D1S%2FC6H15NO3%2Fc8-4-1-7%282-5-9%293-6-10%2Fh8-10H%2C1-6H2, 38.8650016784668, 0.0, 2.0, 1.68506360054016, , 0.0, 3.0, 9.0, 0.0, 10.0, 0.0, -1.29809999465942, 6.0, 1.67999994754791, 25.0, -2.06399989128113 -InChI%3D1S%2FC22H28O5%2Fc1-12-8-16-15-5-4-13-9-14%2824%296-7-20%2813%2C2%2919%2815%2917%2825%2910-21%2816%2C3%2922%2812%2C27%2918%2826%2911-23%2Fh6-7%2C9%2C12%2C15-16%2C19%2C23%2C27H%2C4-5%2C8%2C10-11H2%2C1-3H3%2Ft12-%2C15%3F%2C16-%2C19%2B%2C20-%2C21-%2C22-%2Fm0%2Fs1, 100.808700561523, 0.0, 2.0, 1.1325216293335, , 6.0, 2.0, 30.0, 0.0, 4.0, 0.0, -1.06420004367828, 2.0, 3.32999992370605, 55.0, 0.904999971389771 -InChI%3D1S%2FC18H20N2O6%2Fc1-5-26-18%2822%2915-11%283%2919-10%282%2914%2817%2821%2925-4%2916%2815%2912-7-6-8-13%289-12%2920%2823%2924%2Fh6-9%2C16%2C19H%2C5H2%2C1-4H3, 66.4213027954102, 0.0, 2.0, 0.161282554268837, , 11.0, 1.0, 27.0, 6.0, 5.0, 6.0, 0.401600003242493, 7.0, 2.55999994277954, 46.0, 4.33300018310547 -InChI%3D1S%2FC19H20N2O3%2Fc22-13-11-21%2812-14-23%2919-20-17%2815-7-3-1-4-8-15%2918%2824-19%2916-9-5-2-6-10-16%2Fh1-10%2C22-23H%2C11-14H2, 28.4951000213623, 0.0, 2.0, 1.03042805194855, , 6.0, 3.0, 26.0, 17.0, 7.0, 12.0, -1.01510000228882, 7.0, 3.0, 44.0, 4.72700023651123 -InChI%3D1S%2FC10H14O3%2Fc1-8-4-2-3-5-10%288%2913-7-9%2812%296-11%2Fh2-5%2C9%2C11-12H%2C6-7H2%2C1H3, 25.0727005004883, 0.0, 3.0, 0.211508005857468, , 7.0, 2.0, 13.0, 6.0, 6.0, 6.0, -0.459899991750717, 4.0, 2.23000001907349, 27.0, 1.2940000295639 -InChI%3D1S%2FC19H24N4O2%2Fc20-18%2821%2914-4-8-16%289-5-14%2924-12-2-1-3-13-25-17-10-6-15%287-11-17%2919%2822%2923%2Fh4-11H%2C1-3%2C12-13H2%2C%28H3%2C20%2C21%29%28H3%2C22%2C23%29, 38.7946014404297, 0.0, 5.0, 4.41924476623535, , 10.0, 4.0, 26.0, 12.0, 7.0, 12.0, -2.10220003128052, 10.0, 2.89000010490417, 49.0, 4.03200006484985 -InChI%3D1S%2FC8H11N7S%2Fc9-7%2810%2914-12-5-1-3-6%284-2-5%2913-15-8%2811%2916%2Fh1-4H%2C%28H4%2C9%2C10%2C14%29%28H3%2C11%2C15%2C16%29, 62.1339988708496, 0.0, 0.0, 0.14508481323719, , 15.0, 5.0, 16.0, 0.0, 5.0, 0.0, 0.380899995565414, 4.0, 1.46000003814697, 27.0, 2.02900004386902 -InChI%3D1S%2FC17H12Br2O3%2Fc1-2-13-15%2810-5-3-4-6-14%2810%2922-13%2916%2820%299-7-11%2818%2917%2821%2912%2819%298-9%2Fh3-8%2C21H%2C2H2%2C1H3, 35.538200378418, 1.0, 2.0, 0.43917128443718, , 9.0, 1.0, 24.0, 16.0, 2.0, 12.0, 0.662699997425079, 3.0, 2.77999997138977, 34.0, 5.02099990844727 -InChI%3D1S%2FC14H16ClN3O4S2%2Fc15-10-5-11-13%286-12%2810%2923%2816%2C19%2920%2924%2821%2C22%2918-14%2817-11%299-4-7-1-2-8%289%293-7%2Fh1-2%2C5-9%2C14%2C17-18H%2C3-4H2%2C%28H2%2C16%2C19%2C20%29, 62.834098815918, 0.0, 0.0, 3.03665471076965, , 15.0, 3.0, 27.0, 6.0, 3.0, 6.0, -1.74259996414185, 2.0, 1.89999997615814, 40.0, 0.801999986171722 -InChI%3D1S%2FC17H25NO4%2Fc1-11%282%2916%2819%2921-14-7-6-13%288-9-18-5%2910-15%2814%2922-17%2820%2912%283%294%2Fh6-7%2C10-12%2C18H%2C8-9H2%2C1-5H3, 60.9173011779785, 0.0, 3.0, 1.52646028995514, , 12.0, 1.0, 22.0, 6.0, 6.0, 6.0, 1.23549997806549, 9.0, 2.77999997138977, 47.0, 3.1029999256134 -InChI%3D1S%2FC10H21N3O%2Fc1-4-12%285-2%2910%2814%2913-8-6-11%283%297-9-13%2Fh4-9H2%2C1-3H3, 57.3670997619629, 0.0, 2.0, 0.0574081614613533, , 4.0, 0.0, 14.0, 0.0, 7.0, 0.0, 0.239600002765656, 4.0, 2.11999988555908, 35.0, 0.123000003397465 -InChI%3D1S%2FC19H30N2O5S%2Fc1-12%2817%2823%2921-10-6-9-15%2821%2918%2824%2925%2911-27-19%2826%2913%282%2920-16%2822%2914-7-4-3-5-8-14%2Fh12-15H%2C3-11H2%2C1-2H3%2C%28H%2C20%2C22%29%28H%2C24%2C25%29%2Ft12-%2C13-%2C15%2B%2Fm1%2Fs1, 94.2781982421875, 0.0, 3.0, 2.27255630493164, , 3.0, 2.0, 28.0, 0.0, 13.0, 0.0, -1.50750005245209, 9.0, 2.67000007629395, 57.0, 2.18300008773804 -InChI%3D1S%2FC6H11IO3%2Fc1-4%287%296-9-3-5%282-8%2910-6%2Fh4-6%2C8H%2C2-3H2%2C1H3, 45.0453987121582, 0.0, 0.0, 0.57380622625351, , 0.0, 1.0, 10.0, 0.0, 2.0, 0.0, 0.757499992847443, 2.0, 1.67999994754791, 21.0, 0.722000002861023 -InChI%3D1S%2FC15H21N3O3S%2Fc1-11-5-7-14%288-6-11%2922%2820%2C21%2917-15%2819%2916-18-9-12-3-2-4-13%2812%2910-18%2Fh5-8%2C12-13H%2C2-4%2C9-10H2%2C1H3%2C%28H2%2C16%2C17%2C19%29, 54.8643989562988, 0.0, 0.0, 0.0442260913550854, , 14.0, 2.0, 24.0, 6.0, 7.0, 6.0, -0.210299998521805, 4.0, 2.33999991416931, 43.0, 3.82200002670288 -InChI%3D1S%2FC20H16O3%2Fc21-18%289-10-19%2822%2923%2913-7-8-14-15-5-1-3-12-4-2-6-16%2820%2812%2915%2917%2814%2911-13%2Fh1-8%2C11%2C15%2C20H%2C9-10H2%2C%28H%2C22%2C23%29, 21.6637001037598, 1.0, 4.0, 0.188355997204781, , 18.0, 1.0, 26.0, 17.0, 7.0, 16.0, -0.433999985456467, 4.0, 3.32999992370605, 37.0, 6.57499980926514 -InChI%3D1S%2FC10H17NOS.ClH.2H2O%2Fc1-8-12-10%287-13-8%296-11-4-2-9%2810%293-5-11%3B%3B%3B%2Fh8-9H%2C2-7H2%2C1H3%3B1H%3B2%2A1H2%2Ft8-%2C10-%3B%3B%3B%2Fm1...%2Fs1, 50.5442008972168, 0.0, 0.0, 0.0390457585453987, , 0.0, 2.0, 15.0, 0.0, 0.0, 0.0, -0.19760000705719, 0.0, 1.89999997615814, 38.0, 0.873000025749207 -InChI%3D1S%2FC11H16N4O4%2Fc1-7%2815-5-10%2818%2913-11%2819%296-15%292-14-3-8%2816%2912-9%2817%294-14%2Fh7H%2C2-6H2%2C1H3%2C%28H%2C12%2C16%2C17%29%28H%2C13%2C18%2C19%29, 64.4886016845703, 0.0, 3.0, 6.1053466796875, , 5.0, 2.0, 20.0, 0.0, 3.0, 0.0, -2.47090005874634, 3.0, 1.78999996185303, 35.0, -1.29999995231628 -InChI%3D1S%2FC15H18ClN3O3S%2Fc16-11-1-2-13-12%289-11%2919%2815%2822%2923-13%2910-14%2821%2918-5-3-17%284-6-18%297-8-20%2Fh1-2%2C9%2C20H%2C3-8%2C10H2, 66.5910034179688, 0.0, 2.0, 1.93600008060457e-05, , 9.0, 1.0, 25.0, 6.0, 3.0, 6.0, 0.00439999997615814, 5.0, 2.23000001907349, 41.0, 0.100000001490116 -InChI%3D1S%2FC23H30NO3.BrH%2Fc1-16%282%2924%285%2C17%283%294%2914-15-26-23%2825%2922-18-10-6-8-12-20%2818%2927-21-13-9-7-11-19%2821%2922%3B%2Fh6-13%2C16-17%2C22H%2C14-15H2%2C1-5H3%3B1H%2Fq%2B1%3B%2Fp-1, , 1.0, 2.0, , , 13.0, 0.0, 29.0, 12.0, 13.0, 12.0, , 7.0, 3.44000005722046, 58.0, 6.28299999237061 -InChI%3D1S%2FC20H24ClN3S%2Fc1-22-11-13-23%2814-12-22%299-4-10-24-17-5-2-3-6-19%2817%2925-20-8-7-16%2821%2915-18%2820%2924%2Fh2-3%2C5-8%2C15H%2C4%2C9-14H2%2C1H3, 58.9846000671387, 0.0, 3.0, 1.58357059955597, , 13.0, 0.0, 28.0, 12.0, 3.0, 12.0, 1.25839996337891, 4.0, 3.10999989509583, 49.0, 4.09999990463257 -InChI%3D1S%2FC15H21N3O2%2Fc1-15-7-8-17%283%2913%2815%2918%284%2912-6-5-10%289-11%2812%2915%2920-14%2819%2916-2%2Fh5-6%2C9%2C13H%2C7-8H2%2C1-4H3%2C%28H%2C16%2C19%29%2Ft13-%2C15%2B%2Fm1%2Fs1, 52.8977012634277, 0.0, 0.0, 1.294588804245, , 11.0, 1.0, 22.0, 6.0, 5.0, 6.0, 1.13779997825623, 2.0, 2.55999994277954, 41.0, 2.67700004577637 -InChI%3D1S%2FC35H61NO12%2Fc1-16-14-35%2815-43-35%2932%2840%2919%284%2927%2837%2918%283%2922%287%2946-33%2841%2921%286%2931%2847-26-13-25%2842-11%2928%2838%2923%288%2945-26%2920%285%2930%2816%2948-34-29%2839%2924%2836%289%2910%2912-17%282%2944-34%2Fh16-31%2C34%2C37-39H%2C12-15H2%2C1-11H3%2Ft16-%2C17%2B%2C18-%2C19%2B%2C20%2B%2C21%2B%2C22%2B%2C23-%2C24%3F%2C25%3F%2C26-%2C27-%2C28-%2C29%2B%2C30%3F%2C31%3F%2C34%3F%2C35-%2Fm0%2Fs1, 169.08219909668, 1.0, 0.0, 4.94217348098755, , 3.0, 3.0, 51.0, 0.0, 2.0, 0.0, -2.22309994697571, 6.0, 3.88000011444092, 109.0, 0.695999979972839 -InChI%3D1S%2FC18H24N4O%2Fc1-21-13-6-5-7-14%2821%2911-12%2810-13%2919-18%2823%2917-15-8-3-4-9-16%2815%2922%282%2920-17%2Fh3-4%2C8-9%2C12-14H%2C5-7%2C10-11H2%2C1-2H3%2C%28H%2C19%2C23%29%2Ft12-%2C13%2B%2C14-, 49.3825988769531, 0.0, 0.0, 3.98002505302429, , 8.0, 2.0, 26.0, 10.0, 3.0, 6.0, -1.99500000476837, 3.0, 2.89000010490417, 47.0, 2.57399988174438 -InChI%3D1S%2FC10H12N4O5S%2Fc1-10%285-13-3-2-11-12-13%298%289%2816%2917%2914-6%2815%294-7%2814%2920%2810%2C18%2919%2Fh2-3%2C7-8H%2C4-5H2%2C1H3%2C%28H%2C16%2C17%29%2Ft7-%2C8%2B%2C10%2B%2Fm1%2Fs1, 49.9976005554199, 0.0, 0.0, 1.2332102060318, , 3.0, 3.0, 22.0, 5.0, 2.0, 0.0, -1.11049997806549, 3.0, 1.46000003814697, 32.0, -2.03399991989136 -InChI%3D1S%2FC9H17NO2%2Fc10-7-9%286-8%2811%2912%294-2-1-3-5-9%2Fh1-7%2C10H2%2C%28H%2C11%2C12%29, 41.7888984680176, 0.0, 2.0, 4.21193552017212, , 3.0, 2.0, 12.0, 0.0, 4.0, 0.0, -2.05229997634888, 3.0, 2.11999988555908, 29.0, 1.39100003242493 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154.575607299805, 3.0, 0.0, 57.7189674377441, , 4.0, 17.0, 54.0, 0.0, 4.0, 0.0, -7.59730005264282, 14.0, 1.78999996185303, 100.0, -5.47700023651123 -InChI%3D1S%2FC29H50O%2Fc1-7-21%2819%282%293%299-8-20%284%2925-12-13-26-24-11-10-22-18-23%2830%2914-16-28%2822%2C5%2927%2824%2915-17-29%2825%2C26%296%2Fh10%2C19-21%2C23-27%2C30H%2C7-9%2C11-18H2%2C1-6H3%2Ft20-%2C21-%2C23%2B%2C24%3F%2C25-%2C26%2B%2C27%2B%2C28%2B%2C29-%2Fm1%2Fs1, 123.876098632812, 1.0, 7.0, 1.69000005722046, , 2.0, 1.0, 33.0, 0.0, 10.0, 0.0, 1.29999995231628, 6.0, 4.53999996185303, 80.0, 11.5950002670288 -InChI%3D1S%2FC25H30N2O5%2Fc1-3-32-25%2831%2921%2814-13-18-9-5-4-6-10-18%2926-17%282%2923%2828%2927-16-20-12-8-7-11-19%2820%2915-22%2827%2924%2829%2930%2Fh4-12%2C17%2C21-22%2C26H%2C3%2C13-16H2%2C1-2H3%2C%28H%2C29%2C30%29%2Ft17-%2C21-%2C22-%2Fm0%2Fs1, 67.4646987915039, 2.0, 4.0, 2.57602500915527, , 6.0, 2.0, 34.0, 12.0, 13.0, 12.0, -1.60500001907349, 11.0, 3.44000005722046, 62.0, 6.38000011444092 -InChI%3D1S%2FC16H25N3O%2Fc1-3-16%2820%2919%2815-9-5-6-10-17-15%2914%282%2913-18-11-7-4-8-12-18%2Fh5-6%2C9-10%2C14H%2C3-4%2C7-8%2C11-13H2%2C1-2H3, 52.9553985595703, 0.0, 3.0, 1.85995042324066, , 9.0, 0.0, 21.0, 6.0, 8.0, 6.0, -1.36380004882812, 6.0, 2.77999997138977, 45.0, 2.71799993515015 -InChI%3D1S%2FC15H32N4O5%2Fc1-6%2816%298-5-4-7%2817%2915%2823-8%2924-13-9%2818%2911%2820%2914%2822-3%2910%2819-2%2912%2813%2921%2Fh6-15%2C19-21H%2C4-5%2C16-18H2%2C1-3H3%2Ft6-%2C7%3F%2C8-%2C9-%2C10%3F%2C11-%2C12%2B%2C13%3F%2C14%2B%2C15%2B%2Fm0%2Fs1, 82.8266983032227, 1.0, 0.0, 22.038330078125, , 0.0, 6.0, 25.0, 0.0, 2.0, 0.0, -4.69449996948242, 5.0, 2.11999988555908, 56.0, -2.40799999237061 -InChI%3D1S%2FC11H12N2O2%2Fc12-9%2811%2814%2915%295-7-6-13-10-4-2-1-3-8%287%2910%2Fh1-4%2C6%2C9%2C13H%2C5%2C12H2%2C%28H%2C14%2C15%29%2Ft9-%2Fm0%2Fs1, 19.6296005249023, 0.0, 3.0, 1.17592334747314, , 7.0, 3.0, 16.0, 10.0, 6.0, 6.0, -1.08440005779266, 3.0, 2.23000001907349, 26.0, -0.84799998998642 -InChI%3D1S%2FC22H26N2O4%2Fc1-7-15-13%282%2923-24-22%2814-8-9-18%2825-3%2919%2810-14%2926-4%2917-12-21%2828-6%2920%2827-5%2911-16%2815%2917%2Fh8-12%2C15H%2C7H2%2C1-6H3, 60.3256988525391, 0.0, 2.0, 0.623942017555237, , 20.0, 0.0, 30.0, 12.0, 2.0, 12.0, -0.789900004863739, 6.0, 3.22000002861023, 54.0, 4.29099988937378 -InChI%3D1S%2FC10H14N2O4S2%2Fc11-18%2815%2C16%2910-5-3-9%284-6-10%2912-7-1-2-8-17%2812%2C13%2914%2Fh3-6H%2C1-2%2C7-8H2%2C%28H2%2C11%2C15%2C16%29, 37.5307998657227, 0.0, 0.0, 5.88450574874878, , 14.0, 1.0, 19.0, 6.0, 3.0, 6.0, -2.42580008506775, 2.0, 1.67999994754791, 32.0, 0.513999998569489 -InChI%3D1S%2FC6H5NO2%2Fc8-6%289%295-2-1-3-7-4-5%2Fh1-4H%2C%28H%2C8%2C9%29, 7.21929979324341, 0.0, 0.0, 0.0575040392577648, , 9.0, 1.0, 9.0, 6.0, 3.0, 6.0, -0.239800006151199, 1.0, 1.78999996185303, 14.0, 0.637000024318695 -InChI%3D1S%2FC8H10N2S%2Fc1-2-7-5-6%288%289%2911%293-4-10-7%2Fh3-5H%2C2H2%2C1H3%2C%28H2%2C9%2C11%29, 23.7005004882812, 0.0, 2.0, 0.0954810008406639, , 8.0, 1.0, 11.0, 6.0, 2.0, 6.0, 0.308999985456467, 2.0, 2.00999999046326, 21.0, 2.31500005722046 -InChI%3D1S%2FC19H26I3N3O9%2Fc1-8%2829%2925%284-11%2832%297-28%2917-15%2821%2912%2818%2833%2923-2-9%2830%295-26%2914%2820%2913%2816%2817%2922%2919%2834%2924-3-10%2831%296-27%2Fh9-11%2C26-28%2C30-32H%2C2-7H2%2C1H3%2C%28H%2C23%2C33%29%28H%2C24%2C34%29, 125.138198852539, 3.0, 3.0, 0.0325441583991051, , 15.0, 8.0, 34.0, 6.0, 9.0, 6.0, 0.180399999022484, 13.0, 1.89999997615814, 60.0, -1.16700005531311 -InChI%3D1S%2FC29H35NO2%2Fc1-5-15-29%2832%2916-14-26-24-12-8-20-17-22%2831%2911-13-23%2820%2927%2824%2925%2818-28%2826%2C29%292%2919-6-9-21%2810-7-19%2930%283%294%2Fh6-7%2C9-10%2C17%2C24-26%2C32H%2C8%2C11-14%2C16%2C18H2%2C1-4H3%2Ft24-%2C25%2B%2C26-%2C28-%2C29-%2Fm0%2Fs1, 106.910400390625, 0.0, 3.0, 4.01441287994385, , 7.0, 1.0, 36.0, 6.0, 3.0, 6.0, 2.00359988212585, 2.0, 4.32000017166138, 67.0, 4.91200017929077 -InChI%3D1S%2FC8H15Cl3O3%2Fc1-5%284-7%282%2C3%2913%2914-6%2812%298%289%2C10%2911%2Fh5-6%2C12-13H%2C4H2%2C1-3H3, 58.3811988830566, 0.0, 5.0, 2.54817366600037, , 0.0, 2.0, 13.0, 0.0, 14.0, 0.0, 1.59630000591278, 5.0, 1.67999994754791, 29.0, 2.30699992179871 -InChI%3D1S%2FC16H13ClN2O%2Fc17-12-7-5-11%286-8-12%2916%2820%2914-4-2-1-3-13%2814%2915-18-9-10-19%2815%2916%2Fh1-8%2C20H%2C9-10H2, 28.4169998168945, 0.0, 0.0, 0.139576956629753, , 9.0, 1.0, 23.0, 12.0, 0.0, 12.0, -0.373600006103516, 1.0, 2.77999997138977, 33.0, 4.49700021743774 -InChI%3D1S%2FC10H14N2O3%2Fc1-4-5-10%286%282%293%297%2813%2911-9%2815%2912-8%2810%2914%2Fh4%2C6H%2C1%2C5H2%2C2-3H3%2C%28H2%2C11%2C12%2C13%2C14%2C15%29, 53.2854995727539, 0.0, 3.0, 0.0292752105742693, , 8.0, 2.0, 15.0, 0.0, 3.0, 0.0, 0.171100005507469, 3.0, 2.00999999046326, 29.0, 2.1340000629425 -InChI%3D1S%2FC17H25NO3%2Fc1-17%282%2C3%2918-10-12%2819%2911-21-16-9-5-6-13-14%2816%297-4-8-15%2813%2920%2Fh5-6%2C9%2C12%2C18-19H%2C4%2C7-8%2C10-11H2%2C1-3H3%2Ft12-%2Fm0%2Fs1, 57.4786987304688, 0.0, 3.0, 0.233289003372192, , 9.0, 2.0, 22.0, 6.0, 10.0, 6.0, -0.483000010251999, 6.0, 2.89000010490417, 46.0, 2.12100005149841 -InChI%3D1S%2FC14H11Cl2NO2%2Fc15-10-5-3-6-11%2816%2914%2810%2917-12-7-2-1-4-9%2812%298-13%2818%2919%2Fh1-7%2C17H%2C8H2%2C%28H%2C18%2C19%29, 26.2996997833252, 0.0, 2.0, 0.745114266872406, , 13.0, 2.0, 20.0, 12.0, 4.0, 12.0, 0.863200008869171, 4.0, 2.45000004768372, 30.0, 4.11999988555908 -InChI%3D1S%2FC20H30NO3.BrH%2Fc1-21%282%2913-12-18%2815-21%2924-19%2822%2914-20%2823%2C17-10-6-7-11-17%2916-8-4-3-5-9-16%3B%2Fh3-5%2C8-9%2C17-18%2C23H%2C6-7%2C10-15H2%2C1-2H3%3B1H%2Fq%2B1%3B%2Fp-1, , 0.0, 3.0, , , 6.0, 1.0, 26.0, 6.0, 6.0, 6.0, , 6.0, 3.10999989509583, 55.0, 4.87400007247925 -InChI%3D1S%2FC9H11NO3%2Fc10-8%289%2812%2913%295-6-1-3-7%2811%294-2-6%2Fh1-4%2C8%2C11H%2C5%2C10H2%2C%28H%2C12%2C13%29%2Ft8-%2Fm0%2Fs1, 22.1942005157471, 0.0, 3.0, 2.3860981464386, , 7.0, 3.0, 13.0, 6.0, 6.0, 6.0, -1.54470002651215, 3.0, 2.00999999046326, 24.0, -1.57700002193451 -InChI%3D1S%2FC6H9NO3%2Fc1-6%282%294%288%297%283%295%289%2910-6%2Fh1-3H3, 33.1990013122559, 0.0, 0.0, 0.239023208618164, , 6.0, 0.0, 10.0, 0.0, 0.0, 0.0, 0.488900005817413, 0.0, 1.67999994754791, 19.0, -0.00899999961256981 -InChI%3D1S%2FC23H29N3O%2Fc27-19-18-25-16-14-24%2815-17-25%2912-5-13-26-22-8-3-1-6-20%2822%2910-11-21-7-2-4-9-23%2821%2926%2Fh1-4%2C6-11%2C27H%2C5%2C12-19H2, 62.1864013671875, 0.0, 3.0, 0.0219336096197367, , 15.0, 1.0, 30.0, 12.0, 3.0, 12.0, -0.148100003600121, 6.0, 3.54999995231628, 56.0, 4.39400005340576 -InChI%3D1S%2FC11H15NO4S%2Fc1-3-12%284-2%2917%2815%2C16%2910-7-5-9%286-8-10%2911%2813%2914%2Fh5-8H%2C3-4H2%2C1-2H3%2C%28H%2C13%2C14%29, 38.3418998718262, 0.0, 2.0, 0.221746817231178, , 13.0, 1.0, 17.0, 6.0, 8.0, 6.0, -0.470899999141693, 5.0, 2.00999999046326, 32.0, 1.59200000762939 -InChI%3D1S%2FC12H15Cl2NO5S%2Fc1-21%2819%2C20%298-4-2-7%283-5-8%2910%2817%299%286-16%2915-12%2818%2911%2813%2914%2Fh2-5%2C9-11%2C16-17H%2C6H2%2C1H3%2C%28H%2C15%2C18%29%2Ft9-%2C10-%2Fm1%2Fs1, 54.7587013244629, 0.0, 3.0, 0.103297956287861, , 9.0, 3.0, 21.0, 6.0, 11.0, 6.0, -0.321399986743927, 6.0, 1.78999996185303, 36.0, 0.921999990940094 -InChI%3D1S%2FC23H32O4%2Fc1-14%2824%2927-13-21%2826%2920-7-6-18-17-5-4-15-12-16%2825%298-10-22%2815%2C2%2919%2817%299-11-23%2818%2C20%293%2Fh12%2C17-20H%2C4-11%2C13H2%2C1-3H3%2Ft17%3F%2C18-%2C19-%2C20%2B%2C22-%2C23-%2Fm0%2Fs1, 102.761497497559, 0.0, 2.0, 0.389750480651855, , 4.0, 0.0, 30.0, 0.0, 7.0, 0.0, 0.624300003051758, 4.0, 3.54999995231628, 59.0, 4.52899980545044 -InChI%3D1S%2FC15H21N3O2S3%2Fc1-15%282%2C3%2917-6-9%2819%297-21-14-18-10%288-22-14%2911-4-5-12%2823-11%2913%2816%2920%2Fh4-5%2C8-9%2C17%2C19H%2C6-7H2%2C1-3H3%2C%28H2%2C16%2C20%29, 69.0093994140625, 0.0, 3.0, 1.59441125392914, , 13.0, 4.0, 24.0, 10.0, 10.0, 10.0, 1.26269996166229, 8.0, 2.23000001907349, 44.0, 1.83299994468689 -InChI%3D1S%2FC9H13NO2%2Fc1-6%2810%299%2812%297-3-2-4-8%2811%295-7%2Fh2-6%2C9%2C11-12H%2C10H2%2C1H3%2Ft6-%2C9-%2Fm0%2Fs1, 22.0457992553711, 0.0, 3.0, 2.95840001106262, , 7.0, 3.0, 12.0, 6.0, 5.0, 6.0, -1.72000002861023, 2.0, 2.11999988555908, 25.0, 0.533999979496002 -InChI%3D1S%2FC19H22N2%2Fc1-16-7-9-17%2810-8-16%2918%2819-6-2-3-12-20-19%2911-15-21-13-4-5-14-21%2Fh2-3%2C6-12H%2C4-5%2C13-15H2%2C1H3, 37.4584007263184, 1.0, 3.0, 0.14915044605732, , 14.0, 0.0, 23.0, 12.0, 3.0, 12.0, 0.38620001077652, 4.0, 3.32999992370605, 43.0, 5.94399976730347 -InChI%3D1S%2FC21H28O2%2Fc1-4-21%2823%2910-8-18-19-13%282%2911-14-12-15%2822%295-6-16%2814%2917%2819%297-9-20%2818%2C21%293%2Fh1%2C13%2C17-19%2C23H%2C5-12H2%2C2-3H3%2Ft13-%2C17-%2C18%2B%2C19%3F%2C20%2B%2C21%2B%2Fm1%2Fs1, 90.1719970703125, 0.0, 2.0, 2.00958967208862, , 2.0, 1.0, 26.0, 0.0, 2.0, 0.0, 1.41760003566742, 0.0, 3.54999995231628, 51.0, 2.98799991607666 -InChI%3D1S%2FC30H24N4O10%2Fc35-26%2819-5-1-9-31-13-19%2940-17-23-24%2842-28%2837%2921-7-3-11-33-15-21%2925%2843-29%2838%2922-8-4-12-34-16-22%2930%2839%2C44-23%2918-41-27%2836%2920-6-2-10-32-14-20%2Fh1-16%2C23-25%2C39H%2C17-18H2%2Ft23%3F%2C24%3F%2C25-%2C30%2B%2Fm0%2Fs1, 51.2691993713379, 2.0, 0.0, 1.18113422393799, , 9.0, 1.0, 48.0, 24.0, 4.0, 24.0, -1.0867999792099, 14.0, 3.22000002861023, 68.0, 2.37199997901917 -InChI%3D1S%2FC21H32O%2Fc1-3-12-21%2822%2914-11-19-18-9-8-15-6-4-5-7-16%2815%2917%2818%2910-13-20%2819%2C21%292%2Fh3%2C6%2C16-19%2C22H%2C1%2C4-5%2C7-14H2%2C2H3%2Ft16-%2C17%2B%2C18%3F%2C19-%2C20-%2C21-%2Fm0%2Fs1, 89.2059020996094, 1.0, 3.0, 1.58432567119598, , 2.0, 1.0, 25.0, 0.0, 3.0, 0.0, 1.25870001316071, 2.0, 3.66000008583069, 54.0, 6.29300022125244 -InChI%3D1S%2FC7H14N4%2Fc1-4-7%282%2C3%2911-6%289%2910-5-8%2Fh4H2%2C1-3H3%2C%28H3%2C9%2C10%2C11%29, 40.4336013793945, 0.0, 4.0, 0.000519839988555759, , 6.0, 3.0, 10.0, 0.0, 11.0, 0.0, 0.02280000038445, 4.0, 1.78999996185303, 25.0, 1.73399996757507 -InChI%3D1S%2FC22H19NO4%2Fc1-15%2824%2926-19-10-6-17%287-11-19%2922%2821-5-3-4-14-23-21%2918-8-12-20%2813-9-18%2927-16%282%2925%2Fh3-14%2C22H%2C1-2H3, 27.1564998626709, 1.0, 2.0, 0.0268632099032402, , 9.0, 0.0, 29.0, 18.0, 4.0, 18.0, -0.163900002837181, 7.0, 3.32999992370605, 46.0, 5.80999994277954 -InChI%3D1S%2FC2H8O7P2%2Fc1-2%283%2C10%284%2C5%296%2911%287%2C8%299%2Fh3H%2C1H3%2C%28H2%2C4%2C5%2C6%29%28H2%2C7%2C8%2C9%29, 33.3638000488281, 0.0, 0.0, 0.642883241176605, , 4.0, 5.0, 10.0, 0.0, 11.0, 0.0, -0.801800012588501, 2.0, 0.689999997615814, 19.0, -3.81500005722046 -InChI%3D1S%2FC22H27NO2%2Fc1-23-19%2815-21%2824%2917-9-4-2-5-10-17%2913-8-14-20%2823%2916-22%2825%2918-11-6-3-7-12-18%2Fh2-7%2C9-12%2C19-21%2C24H%2C8%2C13-16H2%2C1H3%2Ft19-%2C20%2B%2C21-%2Fm0%2Fs1, 42.8945999145508, 1.0, 2.0, 3.52312898635864, , 8.0, 1.0, 27.0, 12.0, 3.0, 12.0, -1.87699997425079, 6.0, 3.54999995231628, 52.0, 6.14599990844727 -InChI%3D1S%2FC23H30ClN3O%2Fc1-5-27%286-2%2913-7-8-16%283%2925-23-19-11-9-17%2824%2914-22%2819%2926-21-12-10-18%2828-4%2915-20%2821%2923%2Fh9-12%2C14-16H%2C5-8%2C13H2%2C1-4H3%2C%28H%2C25%2C26%29, 65.4521026611328, 1.0, 5.0, 0.0438902489840984, , 16.0, 1.0, 30.0, 12.0, 11.0, 12.0, 0.209499999880791, 8.0, 3.44000005722046, 58.0, 5.10799980163574 -InChI%3D1S%2FC21H23NO3%2Fc1-22%282%2911-5-8-18-17-7-4-3-6-16%2817%2914-25-20-10-9-15%2812-19%2818%2920%2913-21%2823%2924%2Fh3-4%2C6-10%2C12H%2C5%2C11%2C13-14H2%2C1-2H3%2C%28H%2C23%2C24%29, 49.1134986877441, 0.0, 3.0, 0.0179292093962431, , 15.0, 1.0, 27.0, 12.0, 6.0, 12.0, -0.133900001645088, 5.0, 3.32999992370605, 48.0, 4.1230001449585 -InChI%3D1S%2FC21H26N2O7%2Fc1-12%282%2930-21%2825%2918-14%284%2922-13%283%2917%2820%2824%2929-10-9-28-5%2919%2818%2915-7-6-8-16%2811-15%2923%2826%2927%2Fh6-8%2C11-12%2C19%2C22H%2C9-10H2%2C1-5H3, 82.6696014404297, 0.0, 2.0, 0.000888039998244494, , 11.0, 1.0, 31.0, 6.0, 7.0, 6.0, -0.0297999996691942, 10.0, 2.77999997138977, 56.0, 4.60300016403198 -InChI%3D1S%2FC11H17N3O3%2Fc1-3-17-10-9%288-12-13%282%2911%2810%2915%2914-4-6-16-7-5-14%2Fh8H%2C3-7H2%2C1-2H3, 62.8465995788574, 0.0, 2.0, 1.09139811992645, , 4.0, 1.0, 18.0, 0.0, 3.0, 0.0, -1.04470002651215, 3.0, 2.00999999046326, 38.0, -0.474000006914139 -InChI%3D1S%2FC8H6N4O5%2Fc13-6-4-11%288%2814%2910-6%299-3-5-1-2-7%2817-5%2912%2815%2916%2Fh1-3H%2C4H2%2C%28H%2C10%2C13%2C14%29%2Fb9-3%2B, 32.3368988037109, 0.0, 0.0, 1.64070475101471, , 16.0, 1.0, 18.0, 5.0, 2.0, 5.0, -1.28090000152588, 3.0, 1.35000002384186, 23.0, 0.880999982357025 -InChI%3D1S%2FC11H12I3NO2%2Fc1-2-5%2811%2816%2917%293-6-7%2812%294-8%2813%2910%2815%299%286%2914%2Fh4-5H%2C2-3%2C15H2%2C1H3%2C%28H%2C16%2C17%29, 70.4664993286133, 0.0, 4.0, 10.3066682815552, , 7.0, 2.0, 17.0, 6.0, 7.0, 6.0, 3.21040010452271, 4.0, 2.00999999046326, 29.0, 4.11700010299683 -InChI%3D1S%2FC37H67NO13%2Fc1-14-25-37%2810%2C45%2930%2841%2920%284%2927%2839%2918%282%2916-35%288%2C44%2932%2851-34-28%2840%2924%2838%2811%2912%2915-19%283%2947-34%2921%285%2929%2822%286%2933%2843%2949-25%2950-26-17-36%289%2C46-13%2931%2842%2923%287%2948-26%2Fh18-26%2C28-32%2C34%2C40-42%2C44-45H%2C14-17H2%2C1-13H3%2Ft18-%2C19-%2C20%2B%2C21%2B%2C22-%2C23%2B%2C24%3F%2C25-%2C26%2B%2C28-%2C29%2B%2C30-%2C31%2B%2C32-%2C34%3F%2C35-%2C36-%2C37-%2Fm1%2Fs1, 181.480804443359, 1.0, 2.0, 6.061936378479, , 3.0, 5.0, 53.0, 0.0, 2.0, 0.0, -2.4621000289917, 7.0, 3.99000000953674, 118.0, 1.14100003242493 -InChI%3D1S%2FC21H24O2%2Fc1-3-20-11-9-17-16-8-6-15%2822%2913-14%2816%295-7-18%2817%2919%2820%2910-12-21%2820%2C23%294-2%2Fh2%2C9%2C11%2C13%2C18-19%2C23H%2C3%2C5-8%2C10%2C12H2%2C1H3%2Ft18-%2C19%2B%2C20%3F%2C21%2B%2Fm1%2Fs1, 92.9504013061523, 0.0, 2.0, 1.58936452865601, , 8.0, 1.0, 26.0, 0.0, 2.0, 0.0, 1.2606999874115, 1.0, 3.54999995231628, 47.0, 2.61500000953674 -InChI%3D1S%2FC25H28N6O%2Fc1-2-3-10-22-26-25%2815-6-7-16-25%2924%2832%2931%2822%2917-18-11-13-19%2814-12-18%2920-8-4-5-9-21%2820%2923-27-29-30-28-23%2Fh4-5%2C8-9%2C11-14H%2C2-3%2C6-7%2C10%2C15-17H2%2C1H3%2C%28H%2C27%2C28%2C29%2C30%29, 51.6531982421875, 1.0, 4.0, 2.03946971893311, , 12.0, 4.0, 36.0, 17.0, 4.0, 12.0, -1.42809998989105, 7.0, 3.44000005722046, 59.0, 7.05499982833862 -InChI%3D1S%2FC17H19N3O3S%2Fc1-10-8-18-15%2811%282%2916%2810%2923-4%299-24%2821%2917-19-13-6-5-12%2822-3%297-14%2813%2920-17%2Fh5-8H%2C9H2%2C1-4H3%2C%28H%2C19%2C20%29, 39.5131988525391, 0.0, 0.0, 0.449972629547119, , 9.0, 2.0, 26.0, 16.0, 3.0, 12.0, 0.670799970626831, 5.0, 2.55999994277954, 42.0, 1.09800004959106 -InChI%3D1S%2FC16H19N3O4S%2Fc1-8-7-24-15-11%2814%2821%2919%2815%2912%288%2916%2822%2923%2918-13%2820%2910%2817%299-5-3-2-4-6-9%2Fh2-3%2C6%2C10-11%2C15H%2C4-5%2C7%2C17H2%2C1H3%2C%28H%2C18%2C20%29%28H%2C22%2C23%29%2Ft10-%2C11%3F%2C15-%2Fm1%2Fs1, 92.6535034179688, 0.0, 2.0, 0.0930860117077827, , 8.0, 3.0, 26.0, 0.0, 5.0, 0.0, 0.305099993944168, 4.0, 2.33999991416931, 43.0, -2.71099996566772 -InChI%3D1S%2FC18H18ClNOS%2Fc1-20%282%299-10-21-16-11-13-5-3-4-6-17%2813%2922-18-8-7-14%2819%2912-15%2816%2918%2Fh3-8%2C11-12H%2C9-10H2%2C1-2H3, 48.3903007507324, 1.0, 2.0, 2.08167195320129, , 15.0, 0.0, 24.0, 12.0, 6.0, 12.0, 1.44280004501343, 4.0, 3.0, 40.0, 5.18200016021729 -InChI%3D1S%2FC38H59FO6%2Fc1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34%2843%2945-26-33%2842%2938%2844%2927%282%2923-31-30-20-19-28-24-29%2840%2921-22-35%2828%2C3%2937%2830%2C39%2932%2841%2925-36%2831%2C38%294%2Fh21-22%2C24%2C27%2C30-32%2C41%2C44H%2C5-20%2C23%2C25-26H2%2C1-4H3%2Ft27-%2C30%2B%2C31%3F%2C32%2B%2C35%2B%2C36%2B%2C37%3F%2C38%2B%2Fm1%2Fs1, 153.321105957031, 2.0, 16.0, 17.9157485961914, , 6.0, 2.0, 48.0, 0.0, 21.0, 0.0, -4.23269987106323, 18.0, 4.86999988555908, 104.0, 9.09899997711182 -InChI%3D1S%2FC14H22ClNO%2Fc1-11%2810-16%283%294%2914%282%2C17%299-12-5-7-13%2815%298-6-12%2Fh5-8%2C11%2C17H%2C9-10H2%2C1-4H3, 48.5092010498047, 0.0, 4.0, 1.26023077964783, , 6.0, 1.0, 17.0, 6.0, 10.0, 6.0, 1.12259995937347, 5.0, 2.67000007629395, 39.0, 3.19199991226196 -InChI%3D1S%2FC15H16N2O6S2%2Fc1-15%282%299%2814%2822%2923%2917-11%2819%298%2812%2817%2925-15%2916-10%2818%297%2813%2820%2921%296-3-4-24-5-6%2Fh3-5%2C7-9%2C12H%2C1-2H3%2C%28H%2C16%2C18%29%28H%2C20%2C21%29%28H%2C22%2C23%29%2Ft7-%2C8%3F%2C9%2B%2C12-%2Fm1%2Fs1, 73.1561965942383, 0.0, 3.0, 0.0638067573308945, , 5.0, 3.0, 27.0, 5.0, 7.0, 5.0, 0.252600014209747, 5.0, 2.00999999046326, 41.0, 0.303999990224838 -InChI%3D1S%2FC17H20N2S%2Fc1-13%2818%282%293%2912-19-14-8-4-6-10-16%2814%2920-17-11-7-5-9-15%2817%2919%2Fh4-11%2C13H%2C12H2%2C1-3H3, 38.99169921875, 0.0, 3.0, 0.695722818374634, , 13.0, 0.0, 22.0, 12.0, 6.0, 12.0, 0.834100008010864, 3.0, 3.0, 40.0, 4.46299982070923 -InChI%3D1S%2FC21H28O5%2Fc1-19-7-5-13%2823%299-12%2819%293-4-14-15-6-8-21%2826%2C17%2825%2911-22%2920%2815%2C2%2910-16%2824%2918%2814%2919%2Fh5%2C7%2C9%2C14-16%2C18%2C22%2C24%2C26H%2C3-4%2C6%2C8%2C10-11H2%2C1-2H3%2Ft14%3F%2C15-%2C16-%2C18%2B%2C19-%2C20%3F%2C21-%2Fm0%2Fs1, 97.1956024169922, 0.0, 2.0, 0.735649287700653, , 6.0, 3.0, 29.0, 0.0, 4.0, 0.0, -0.857699990272522, 2.0, 3.22000002861023, 54.0, 1.02100002765656 -InChI%3D1S%2FC16H22ClN3O4%2Fc1-16%282%2C24-13-5-3-12%2817%294-6-13%2914%2821%2919-15%2822%2918-11-20-7-9-23-10-8-20%2Fh3-6H%2C7-11H2%2C1-2H3%2C%28H2%2C18%2C19%2C21%2C22%29, 65.4194030761719, 0.0, 3.0, 0.0935748070478439, , 7.0, 2.0, 25.0, 6.0, 11.0, 6.0, -0.305900007486343, 6.0, 2.33999991416931, 46.0, 1.75600004196167 -InChI%3D1S%2FC19H39N5O7%2Fc1-19%2827%297-28-18%2813%2826%2916%2819%2924-2%2931-15-11%2823%295-10%2822%2914%2812%2815%2925%2930-17-9%2821%294-3-8%286-20%2929-17%2Fh8-18%2C24-27H%2C3-7%2C20-23H2%2C1-2H3%2Ft8-%2C9%2B%2C10-%2C11%2B%2C12-%2C13%2B%2C14%3F%2C15%3F%2C16%2B%2C17%3F%2C18%3F%2C19%3F%2Fm0%2Fs1, 103.186096191406, 2.0, 0.0, 38.3210525512695, , 0.0, 8.0, 33.0, 0.0, 2.0, 0.0, -6.19040012359619, 6.0, 2.23000001907349, 70.0, -3.73000001907349 -InChI%3D1S%2FC18H18N2%2Fc1-3-7-14%288-4-1%2918%2815-9-5-2-6-10-15%2913-16%2818%2917-19-11-12-20-17%2Fh1-10%2C16H%2C11-13H2%2C%28H%2C19%2C20%29, 28.9328994750977, 1.0, 0.0, 0.758466839790344, , 6.0, 1.0, 23.0, 12.0, 0.0, 12.0, -0.870899975299835, 3.0, 3.22000002861023, 38.0, 7.10400009155273 -InChI%3D1S%2FC25H38O5%2Fc1-6-25%284%2C5%2924%2828%2930-21-12-15%282%2911-17-8-7-16%283%2920%2823%2817%2921%2910-9-19-13-18%2826%2914-22%2827%2929-19%2Fh7-8%2C11%2C15-16%2C18-21%2C23%2C26H%2C6%2C9-10%2C12-14H2%2C1-5H3%2Ft15-%2C16-%2C18%2B%2C19%2B%2C20-%2C21-%2C23%3F%2Fm0%2Fs1, 111.456298828125, 0.0, 4.0, 1.1316704750061, , 4.0, 1.0, 32.0, 0.0, 8.0, 0.0, 1.06379997730255, 7.0, 3.66000008583069, 68.0, 4.77500009536743 -InChI%3D1S%2FC17H28N4O3S2%2Fc1-12%2816%285-6-22%2926-25-10-15-4-3-7-24-15%2921%2811-23%299-14-8-19-13%282%2920-17%2814%2918%2Fh8%2C15%2C22-23H%2C3-7%2C9-11H2%2C1-2H3%2C%28H2%2C18%2C19%2C20%29, 103.943397521973, 0.0, 5.0, 1.65353882312775, , 3.0, 5.0, 27.0, 0.0, 13.0, 0.0, -1.28589999675751, 10.0, 2.33999991416931, 58.0, 0.995000004768372 -InChI%3D1S%2FC17H19NO3%2Fc1-18-7-6-17-10-3-5-13%2820%2916%2817%2921-15-12%2819%294-2-9%2814%2815%2917%298-11%2810%2918%2Fh2%2C4%2C10-11%2C16%2C19H%2C3%2C5-8H2%2C1H3%2Ft10-%2C11%2B%2C16-%2C17%3F%2Fm0%2Fs1, 53.2988014221191, 0.0, 0.0, 1.05288124084473, , 8.0, 1.0, 25.0, 6.0, 0.0, 6.0, -1.02610003948212, 0.0, 2.89000010490417, 40.0, 0.907000005245209 -InChI%3D1S%2FC18H14Cl4N2O%2Fc19-13-2-1-12%2816%2821%297-13%2910-25-18%289-24-6-5-23-11-24%2915-4-3-14%2820%298-17%2815%2922%2Fh1-8%2C11%2C18H%2C9-10H2, 39.8017997741699, 0.0, 2.0, 7.89104270935059, , 6.0, 1.0, 27.0, 17.0, 4.0, 12.0, 2.80909991264343, 6.0, 2.67000007629395, 39.0, 4.91099977493286 -InChI%3D1S%2FC12H17ClO2%2Fc1-11%282%2C14%298-12%283%2C15%299-4-6-10%2813%297-5-9%2Fh4-7%2C14-15H%2C8H2%2C1-3H3, 37.4137001037598, 0.0, 5.0, 0.402971029281616, , 6.0, 2.0, 15.0, 6.0, 8.0, 6.0, 0.634800016880035, 3.0, 2.45000004768372, 32.0, 2.85199999809265 -InChI%3D1S%2FC17H20N4O6%2Fc1-7-3-9-10%284-8%287%292%2921%285-11%2823%2914%2825%2912%2824%296-22%2915-13%2818-9%2916%2826%2920-17%2827%2919-15%2Fh3-4%2C11-12%2C14%2C22-25H%2C5-6H2%2C1-2H3%2C%28H%2C20%2C26%2C27%29%2Ft11-%2C12%2B%2C14-%2Fm0%2Fs1, 69.3387985229492, 1.0, 5.0, 3.86672902107239, , 8.0, 8.0, 29.0, 6.0, 9.0, 6.0, -1.96640002727509, 5.0, 2.23000001907349, 53.0, -1.49899995326996 -InChI%3D1S%2FC17H13N3O5S2%2Fc21-15%2813-3-1-2-4-14%2813%2916%2822%2923%2919-11-5-7-12%288-6-11%2927%2824%2C25%2920-17-18-9-10-26-17%2Fh1-10H%2C%28H%2C18%2C20%29%28H%2C19%2C21%29%28H%2C22%2C23%29, 33.5959014892578, 0.0, 0.0, 1.48962020874023, , 27.0, 4.0, 29.0, 17.0, 4.0, 17.0, -1.22049999237061, 7.0, 2.23000001907349, 40.0, 3.04699993133545 -InChI%3D1S%2FC7H8O2%2Fc1-9-7-5-3-2-4-6%287%298%2Fh2-5%2C8H%2C1H3, 9.88039970397949, 0.0, 0.0, 0.262246400117874, , 8.0, 1.0, 9.0, 6.0, 2.0, 6.0, -0.512099981307983, 1.0, 2.00999999046326, 17.0, 1.38900005817413 -InChI%3D1S%2FC28H37FO7%2Fc1-6-23%2833%2935-15-22%2832%2928%2836-24%2834%297-2%2916%283%2912-20-19-9-8-17-13-18%2830%2910-11-25%2817%2C4%2927%2819%2C29%2921%2831%2914-26%2820%2C28%295%2Fh10-11%2C13%2C16%2C19-21%2C31H%2C6-9%2C12%2C14-15H2%2C1-5H3%2Ft16-%2C19-%2C20%3F%2C21-%2C25-%2C26-%2C27%3F%2C28-%2Fm0%2Fs1, 129.645294189453, 0.0, 3.0, 0.0011155599495396, , 6.0, 1.0, 39.0, 0.0, 8.0, 0.0, -0.0333999991416931, 8.0, 3.66000008583069, 73.0, 2.6949999332428 -InChI%3D1S%2FC13H18Br2N2O%2Fc14-9-5-8%2813%2816%2912%2815%296-9%297-17-10-1-3-11%2818%294-2-10%2Fh5-6%2C10-11%2C17-18H%2C1-4%2C7%2C16H2%2Ft10-%2C11-, 50.4393005371094, 0.0, 0.0, 1.1972736120224, , 7.0, 3.0, 19.0, 6.0, 2.0, 6.0, -1.09420001506805, 3.0, 2.33999991416931, 36.0, 2.5239999294281 -InChI%3D1S%2FC13H16N2O2%2Fc1-9%2816%2914-6-5-10-8-15-13-4-3-11%2817-2%297-12%2810%2913%2Fh3-4%2C7-8%2C15H%2C5-6H2%2C1-2H3%2C%28H%2C14%2C16%29, 30.1937999725342, 0.0, 2.0, 0.00648025004193187, , 8.0, 2.0, 18.0, 10.0, 6.0, 6.0, -0.0804999992251396, 4.0, 2.45000004768372, 32.0, 1.87199997901917 -InChI%3D1S%2FC18H36N4O11%2Fc19-2-6-10%2825%2912%2827%2913%2828%2918%2830-6%2933-16-5%2821%291-4%2820%2915%2814%2816%2929%2932-17-11%2826%298%2822%299%2824%297%283-23%2931-17%2Fh4-18%2C23-29H%2C1-3%2C19-22H2%2Ft4-%2C5%2B%2C6-%2C7%3F%2C8%2B%2C9-%2C10-%2C11-%2C12%2B%2C13%3F%2C14-%2C15%3F%2C16%3F%2C17%3F%2C18-%2Fm1%2Fs1, 104.180702209473, 2.0, 0.0, 56.1555404663086, , 0.0, 11.0, 35.0, 0.0, 2.0, 0.0, -7.49370002746582, 6.0, 1.78999996185303, 69.0, -5.48600006103516 -InChI%3D1S%2FC34H35N3O10%2Fc1-15-28%2838%2920%2835%2912-23%2846-15%2947-22-14-34%2844%2C16%282%2936-37-33%2843%2917-8-5-4-6-9-17%2913-19-25%2822%2932%2842%2927-26%2830%2819%2940%2929%2839%2918-10-7-11-21%2845-3%2924%2818%2931%2827%2941%2Fh4-11%2C15%2C20%2C22-23%2C28%2C38%2C40%2C42%2C44H%2C12-14%2C35H2%2C1-3H3%2C%28H%2C37%2C43%29%2Fb36-16%2B%2Ft15-%2C20-%2C22-%2C23-%2C28%2B%2C34-%2Fm0%2Fs1, 93.3191986083984, 1.0, 0.0, 13.4703683853149, , 19.0, 6.0, 52.0, 18.0, 6.0, 18.0, -3.67020010948181, 6.0, 3.76999998092651, 82.0, 2.89499998092651 -InChI%3D1S%2FC16H22N6O4%2Fc17-14%2824%2912-2-1-5-22%2812%2916%2826%2911%286-9-7-18-8-19-9%2921-15%2825%2910-3-4-13%2823%2920-10%2Fh7-8%2C10-12H%2C1-6H2%2C%28H2%2C17%2C24%29%28H%2C18%2C19%29%28H%2C20%2C23%29%28H%2C21%2C25%29%2Ft10-%2C11-%2C12-%2Fm0%2Fs1, 65.2871017456055, 0.0, 3.0, 3.65918636322021, , 3.0, 6.0, 28.0, 5.0, 7.0, 0.0, -1.9128999710083, 7.0, 2.11999988555908, 47.0, -0.638000011444092 -InChI%3D1S%2FC42H66O14%2Fc1-20-37%2849-6%2929%2843%2916-35%2851-20%2955-39-22%283%2953-36%2818-31%2839%2945%2956-38-21%282%2952-34%2817-30%2838%2944%2954-25-9-11-40%284%2924%2814-25%297-8-27-28%2840%2915-32%2846%2941%285%2926%2810-12-42%2827%2C41%2948%2923-13-33%2847%2950-19-23%2Fh13%2C20-22%2C24-32%2C34-39%2C43-46%2C48H%2C7-12%2C14-19H2%2C1-6H3%2Ft20-%2C21-%2C22-%2C24-%2C25%2B%2C26-%2C27%3F%2C28%2B%2C29%2B%2C30%3F%2C31%2B%2C32-%2C34%2B%2C35%2B%2C36%2B%2C37%3F%2C38%3F%2C39%3F%2C40%3F%2C41%3F%2C42%2B%2Fm1%2Fs1, 189.215194702148, 1.0, 0.0, 10.6909379959106, , 5.0, 5.0, 63.0, 0.0, 2.0, 0.0, -3.269700050354, 8.0, 4.53999996185303, 122.0, 2.26399993896484 -InChI%3D1S%2FC18H37N5O10%2Fc19-2-6-11%2826%2912%2827%299%2823%2917%2830-6%2932-15-4%2820%291-5%2821%2916%2814%2815%2929%2933-18-13%2828%298%2822%2910%2825%297%283-24%2931-18%2Fh4-18%2C24-29H%2C1-3%2C19-23H2%2Ft4-%2C5%2B%2C6%2B%2C7%3F%2C8-%2C9%3F%2C10%2B%2C11%2B%2C12%2B%2C13%2B%2C14-%2C15%3F%2C16%3F%2C17%2B%2C18%3F%2Fm0%2Fs1, 105.838203430176, 2.0, 0.0, 60.5797576904297, , 0.0, 11.0, 35.0, 0.0, 2.0, 0.0, -7.78329992294312, 6.0, 1.78999996185303, 70.0, -5.55299997329712 -InChI%3D1S%2FC34H57N2O4.BrH%2Fc1-23%2837%2939-31-20-25-12-13-26-27%2834%2825%2C4%2922-29%2831%2935-16-8-6-9-17-35%2914-15-33%283%2928%2826%2921-30%2832%2833%2940-24%282%2938%2936%285%2918-10-7-11-19-36%3B%2Fh25-32H%2C6-22H2%2C1-5H3%3B1H%2Fq%2B1%3B%2Fp-1%2Ft25-%2C26%3F%2C27-%2C28-%2C29%3F%2C30%3F%2C31-%2C32%3F%2C33-%2C34%3F%3B%2Fm0.%2Fs1, , 1.0, 2.0, , , 3.0, 0.0, 45.0, 0.0, 4.0, 0.0, , 6.0, 4.42999982833862, 98.0, 7.6269998550415 -InChI%3D1S%2FC17H27NO4%2Fc1-17%282%2C3%2918-9-12%2819%2910-22-16-6-4-5-11-7-14%2820%2915%2821%298-13%2811%2916%2Fh4-6%2C12%2C14-15%2C18-21H%2C7-10H2%2C1-3H3%2Ft12%3F%2C14-%2C15%2B%2Fm1%2Fs1, 61.4622993469238, 0.0, 3.0, 0.855624973773956, , 7.0, 4.0, 23.0, 6.0, 10.0, 6.0, -0.925000011920929, 6.0, 2.77999997138977, 49.0, 1.77400004863739 -InChI%3D1S%2FC21H29NO%2Fc23-21%2819-7-3-1-4-8-19%2C13-16-22-14-5-2-6-15-22%2920-11-9-18%2817-20%2910-12-20%2Fh1%2C3-4%2C7-9%2C11%2C18%2C23H%2C2%2C5-6%2C10%2C12-17H2, 63.3623008728027, 1.0, 3.0, 2.01100754737854, , 6.0, 1.0, 26.0, 6.0, 4.0, 6.0, -1.4180999994278, 5.0, 3.54999995231628, 52.0, 5.23600006103516 -InChI%3D1S%2FC11H17BrN.C7H8O3S%2Fc1-4-13%282%2C3%299-10-7-5-6-8-11%2810%2912%3B1-6-2-4-7%285-3-6%2911%288%2C9%2910%2Fh5-8H%2C4%2C9H2%2C1-3H3%3B2-5H%2C1H3%2C%28H%2C8%2C9%2C10%29%2Fq%2B1%3B%2Fp-1, 48.8389015197754, 0.0, 2.0, 0.317532241344452, , 10.0, 0.0, 24.0, 12.0, 6.0, 12.0, -0.563499987125397, 4.0, 2.77999997138977, 48.0, 4.76399993896484 -InChI%3D1S%2FC30H46NO7P%2Fc1-4-28%2833%2937-30%2822%282%293%2938-39%2836%2C18-12-11-15-23-13-7-5-8-14-23%2921-27%2832%2931-20-25%2819-26%2831%2929%2834%2935%2924-16-9-6-10-17-24%2Fh5%2C7-8%2C13-14%2C22%2C24-26%2C30H%2C4%2C6%2C9-12%2C15-21H2%2C1-3H3%2C%28H%2C34%2C35%29%2Ft25-%2C26%2B%2C30%3F%2C39%3F%2Fm1%2Fs1, 105.54460144043, 2.0, 4.0, 5.10895586013794, , 6.0, 1.0, 41.0, 6.0, 19.0, 6.0, -2.26029992103577, 16.0, 3.76999998092651, 85.0, 8.34000015258789 -InChI%3D1S%2FC14H16N2O2%2Fc1-3-18-14%2817%2913-9-15-10-16%2813%2911%282%2912-7-5-4-6-8-12%2Fh4-11H%2C3H2%2C1-2H3, 28.4768009185791, 0.0, 2.0, 0.07601048797369, , 8.0, 1.0, 19.0, 11.0, 5.0, 11.0, 0.275700002908707, 5.0, 2.55999994277954, 34.0, 3.86700010299683 -InChI%3D1S%2FC9H11NO2%2Fc1-2-12-9%2811%297-3-5-8%2810%296-4-7%2Fh3-6H%2C2%2C10H2%2C1H3, 20.5042991638184, 0.0, 2.0, 0.23843689262867, , 10.0, 1.0, 12.0, 6.0, 5.0, 6.0, -0.488299995660782, 3.0, 2.11999988555908, 23.0, 1.74699997901917 -InChI%3D1S%2FC11H17N3O3S%2Fc1-2-3-8-13-11%2815%2914-18%2816%2C17%2910-6-4-9%2812%295-7-10%2Fh4-7H%2C2-3%2C8%2C12H2%2C1H3%2C%28H2%2C13%2C14%2C15%29, 40.0885009765625, 0.0, 4.0, 3.94777154922485, , 14.0, 3.0, 18.0, 6.0, 11.0, 6.0, -1.98689997196198, 6.0, 1.89999997615814, 35.0, 1.7960000038147 -InChI%3D1S%2FC20H28O2%2Fc1-3-20%2822%2911-9-18-17-6-4-13-12-14%2821%295-7-15%2813%2916%2817%298-10-19%2818%2C20%292%2Fh1%2C12%2C14-18%2C21-22H%2C4-11H2%2C2H3%2Ft14-%2C15%3F%2C16%2B%2C17%3F%2C18-%2C19%3F%2C20-%2Fm0%2Fs1, 83.4682006835938, 0.0, 2.0, 0.237558767199516, , 2.0, 2.0, 25.0, 0.0, 2.0, 0.0, 0.487399995326996, 0.0, 3.44000005722046, 50.0, 3.51699995994568 -InChI%3D1S%2FC26H30Cl2F3NO%2Fc1-3-5-10-32%2811-6-4-2%2912-9-25%2833%2923-16-22-21%2814-18%2827%2915-24%2822%2928%2920-13-17%2826%2829%2C30%2931%297-8-19%2820%2923%2Fh7-8%2C13-16%2C25%2C33H%2C3-6%2C9-12H2%2C1-2H3, 67.0183029174805, 2.0, 4.0, 0.618739545345306, , 14.0, 1.0, 35.0, 16.0, 13.0, 14.0, 0.78659999370575, 11.0, 3.54999995231628, 63.0, 8.51599979400635 -InChI%3D1S%2FC12H13Cl2N3%2Fc1-2-8-17%2812-15-6-7-16-12%2911-9%2813%294-3-5-10%2811%2914%2Fh2-5H%2C1%2C6-8H2%2C%28H%2C15%2C16%29, 46.5279006958008, 0.0, 3.0, 2.36298394203186, , 10.0, 1.0, 18.0, 6.0, 4.0, 6.0, 1.53719997406006, 4.0, 2.23000001907349, 30.0, 3.57399988174438 -InChI%3D1S%2FC20H27N5O3%2Fc1-4-24%2812-13-26%2910-11-25-16%2814-15-8-6-5-7-9-15%2921-18-17%2825%2919%2827%2923%283%2920%2828%2922%2818%292%2Fh5-9%2C26H%2C4%2C10-14H2%2C1-3H3, 68.3427963256836, 0.0, 2.0, 0.269360989332199, , 6.0, 2.0, 30.0, 11.0, 8.0, 6.0, -0.518999993801117, 8.0, 2.77999997138977, 55.0, 2.73900008201599 -InChI%3D1S%2FC19H27NO%2Fc1-13%282%297-9-20-10-8-19%284%2914%283%2918%2820%2911-15-5-6-16%2821%2912-17%2815%2919%2Fh5-7%2C12%2C14%2C18%2C21H%2C8-11H2%2C1-4H3%2Ft14-%2C18%2B%2C19%3F%2Fm0%2Fs1, 64.3627014160156, 0.0, 4.0, 3.25983023643494, , 7.0, 1.0, 23.0, 6.0, 5.0, 6.0, 1.80550003051758, 2.0, 3.32999992370605, 48.0, 4.09100008010864 -InChI%3D1S%2FC15H10Cl2N2O2%2Fc16-8-5-6-12-10%287-8%2913%2819-15%2821%2914%2820%2918-12%299-3-1-2-4-11%289%2917%2Fh1-7%2C15%2C21H%2C%28H%2C18%2C20%29, 32.0710983276367, 0.0, 0.0, 0.957853674888611, , 17.0, 2.0, 23.0, 12.0, 0.0, 12.0, 0.97869998216629, 1.0, 2.45000004768372, 31.0, 4.03900003433228 -InChI%3D1S%2FC19H22N2OS%2Fc1-14%2822%2915-9-10-19-17%2813-15%2921%2812-6-11-20%282%293%2916-7-4-5-8-18%2816%2923-19%2Fh4-5%2C7-10%2C13H%2C6%2C11-12H2%2C1-3H3, 48.089298248291, 0.0, 3.0, 0.091748408973217, , 15.0, 0.0, 25.0, 12.0, 6.0, 12.0, 0.302899986505508, 5.0, 3.10999989509583, 45.0, 3.86299991607666 -InChI%3D1S%2FC29H55N5O18%2Fc30-3-11-23%2851-28-20%2843%2919%2842%2917%2840%2913%285-36%2947-28%2918%2841%2915%2834%2927%2845-11%2950-24-14%286-37%2948-29%2821%2824%2944%2952-25-16%2839%297%2831%291-8%2832%2922%2825%2949-26-9%2833%292-10%2838%2912%284-35%2946-26%2Fh7-29%2C35-44H%2C1-6%2C30-34H2%2Ft7%3F%2C8%3F%2C9-%2C10%2B%2C11%3F%2C12%2B%2C13%2B%2C14%3F%2C15%3F%2C16-%2C17%2B%2C18%2B%2C19-%2C20-%2C21-%2C22%2B%2C23%2B%2C24-%2C25%3F%2C26%3F%2C27%2B%2C28%3F%2C29%3F%2Fm1%2Fs1, 161.651397705078, 3.0, 0.0, 111.169609069824, , 0.0, 15.0, 56.0, 0.0, 2.0, 0.0, -10.5437002182007, 12.0, 2.11999988555908, 107.0, -8.64099979400635 -InChI%3D1S%2FC6H12O6%2Fc7-2-6%2811%295%2810%294%289%293%288%291-12-6%2Fh3-5%2C7-11H%2C1-2H2%2Ft3-%2C4-%2C5%3F%2C6-%2Fm1%2Fs1, 36.3608016967773, 0.0, 0.0, 6.57204484939575, , 0.0, 5.0, 12.0, 0.0, 2.0, 0.0, -2.56360006332397, 1.0, 1.46000003814697, 24.0, -1.74000000953674 -InChI%3D1S%2FC18H37N5O8%2Fc19-4-6-1-2-7%2820%2917%2828-6%2930-15-8%2821%293-9%2822%2916%2814%2815%2927%2931-18-13%2826%2911%2823%2912%2825%2910%285-24%2929-18%2Fh6-18%2C24-27H%2C1-5%2C19-23H2%2Ft6-%2C7%3F%2C8-%2C9%2B%2C10%2B%2C11-%2C12%2B%2C13%2B%2C14-%2C15%3F%2C16-%2C17%2B%2C18%3F%2Fm0%2Fs1, 99.7363967895508, 2.0, 0.0, 53.8447761535645, , 0.0, 9.0, 33.0, 0.0, 2.0, 0.0, -7.33790016174316, 6.0, 2.00999999046326, 68.0, -4.78000020980835 -InChI%3D1S%2FC9H13N%2Fc1-8%2810%297-9-5-3-2-4-6-9%2Fh2-6%2C8H%2C7%2C10H2%2C1H3%2Ft8-%2Fm0%2Fs1, 18.3840999603271, 0.0, 3.0, 0.4714195728302, , 6.0, 1.0, 10.0, 6.0, 4.0, 6.0, -0.686600029468536, 2.0, 2.33999991416931, 23.0, 3.58200001716614 -InChI%3D1S%2FC12H18N2O3S%2Fc1-3-4-9-13-12%2815%2914-18%2816%2C17%2911-7-5-10%282%296-8-11%2Fh5-8H%2C3-4%2C9H2%2C1-2H3%2C%28H2%2C13%2C14%2C15%29, 41.3684997558594, 0.0, 4.0, 0.35402500629425, , 13.0, 2.0, 18.0, 6.0, 11.0, 6.0, -0.595000028610229, 6.0, 2.11999988555908, 36.0, 3.35999989509583 -InChI%3D1S%2FC18H16O3%2Fc1-2-13%2812-8-4-3-5-9-12%2916-17%2819%2914-10-6-7-11-15%2814%2921-18%2816%2920%2Fh3-11%2C13%2C19H%2C2H2%2C1H3, 28.2590007781982, 1.0, 3.0, 1.03530621528625, , 9.0, 1.0, 23.0, 12.0, 3.0, 12.0, -1.01750004291534, 3.0, 3.10999989509583, 39.0, 6.26700019836426 -InChI%3D1S%2FC11H15NO%2Fc1-9-11%2813-8-7-12-9%2910-5-3-2-4-6-10%2Fh2-6%2C9%2C11-12H%2C7-8H2%2C1H3, 27.0380001068115, 0.0, 0.0, 0.360960632562637, , 6.0, 1.0, 14.0, 6.0, 0.0, 6.0, -0.600799977779388, 1.0, 2.45000004768372, 28.0, 2.8289999961853 -InChI%3D1S%2FC12H22O11%2Fc13-1-3-5%2815%296%2816%299%2819%2912%2822-3%2923-10-4%282-14%2921-11%2820%298%2818%297%2810%2917%2Fh3-20H%2C1-2H2%2Ft3-%2C4-%2C5%2B%2C6%2B%2C7-%2C8-%2C9-%2C10%3F%2C11-%2C12%3F%2Fm1%2Fs1, 68.3367004394531, 2.0, 0.0, 18.1501560211182, , 0.0, 8.0, 24.0, 0.0, 2.0, 0.0, -4.26030015945435, 4.0, 1.57000005245209, 45.0, -3.66300010681152 -InChI%3D1S%2FC18H19N3O6S%2Fc1-9%2822%2927-7-11-8-28-17-13%2816%2824%2921%2817%2914%2811%2918%2825%2926%2920-15%2823%2912%2819%2910-5-3-2-4-6-10%2Fh2-6%2C12-13%2C17H%2C7-8%2C19H2%2C1H3%2C%28H%2C20%2C23%29%28H%2C25%2C26%29%2Ft12-%2C13-%2C17-%2Fm1%2Fs1, 74.5426025390625, 0.0, 2.0, 2.34120607376099, , 8.0, 3.0, 30.0, 6.0, 5.0, 6.0, -1.5300999879837, 7.0, 2.33999991416931, 47.0, -1.30200004577637 -InChI%3D1S%2FC19H12O6%2Fc20-16-10-5-1-3-7-14%2810%2924-18%2822%2912%2816%299-13-17%2821%2911-6-2-4-8-15%2811%2925-19%2813%2923%2Fh1-8%2C20-21H%2C9H2, 36.617000579834, 0.0, 0.0, 2.04661631584167, , 9.0, 2.0, 28.0, 12.0, 0.0, 12.0, -1.43060004711151, 2.0, 2.89000010490417, 41.0, 2.73000001907349 -InChI%3D1S%2FC10H20O%2Fc1-7%282%299-5-4-8%283%296-10%289%2911%2Fh7-11H%2C4-6H2%2C1-3H3, 44.9238014221191, 0.0, 0.0, 0.430729687213898, , 0.0, 1.0, 11.0, 0.0, 2.0, 0.0, 0.656300008296967, 1.0, 2.45000004768372, 31.0, 3.21099996566772 -InChI%3D1S%2FC9H18N2O4%2Fc1-3-4-9%282%2C5-14-7%2810%2912%296-15-8%2811%2913%2Fh3-6H2%2C1-2H3%2C%28H2%2C10%2C12%29%28H2%2C11%2C13%29, 50.878101348877, 0.0, 5.0, 1.12254023551941, , 4.0, 4.0, 14.0, 0.0, 15.0, 0.0, 1.05949997901917, 8.0, 1.78999996185303, 33.0, 2.97199988365173 -InChI%3D1S%2FC22H29NO2%2Fc1-5-21%2824%2925-22%2818%282%2917-23%283%294%2C20-14-10-7-11-15-20%2916-19-12-8-6-9-13-19%2Fh6-15%2C18H%2C5%2C16-17H2%2C1-4H3%2Ft18-%2C22%2B%2Fm0%2Fs1, 51.3361015319824, 1.0, 4.0, 0.155314803123474, , 6.0, 0.0, 26.0, 12.0, 13.0, 12.0, 0.39410001039505, 9.0, 3.54999995231628, 54.0, 7.62900018692017 -InChI%3D1S%2FC9H9Cl2N3%2Fc10-6-2-1-3-7%2811%298%286%2914-9-12-4-5-13-9%2Fh1-3H%2C4-5H2%2C%28H2%2C12%2C13%2C14%29, 31.6685009002686, 0.0, 0.0, 0.669287621974945, , 10.0, 2.0, 15.0, 6.0, 0.0, 6.0, 0.818099975585938, 2.0, 1.89999997615814, 23.0, 2.39599990844727 -InChI%3D1S%2FC14H18N2O%2Fc1-10%282%2913-11%283%2915%284%2916%2814%2813%2917%2912-8-6-5-7-9-12%2Fh5-10H%2C1-4H3, 43.2221984863281, 0.0, 0.0, 0.00813603959977627, , 10.0, 0.0, 18.0, 6.0, 2.0, 6.0, -0.0901999995112419, 2.0, 2.67000007629395, 37.0, 3.37800002098083 -InChI%3D1S%2FC13H14ClNO2%2Fc1-9%2813%2816%2917%2910-4-5-12%2811%2814%298-10%2915-6-2-3-7-15%2Fh2-5%2C8-9H%2C6-7H2%2C1H3%2C%28H%2C16%2C17%29, 44.8300018310547, 0.0, 3.0, 1.69911229610443, , 7.0, 1.0, 18.0, 6.0, 5.0, 6.0, 1.30350005626678, 3.0, 2.45000004768372, 31.0, 2.40300011634827 -InChI%3D1S%2FC20H26N4O%2Fc1-4-24%285-2%2920%2825%2922-14-10-16-15-7-6-8-17-19%2815%2913%2811-21-17%299-18%2816%2923%283%2912-14%2Fh6-8%2C10-11%2C14%2C18%2C21H%2C4-5%2C9%2C12H2%2C1-3H3%2C%28H%2C22%2C25%29%2Ft14-%2C18%2B%2Fm0%2Fs1, 64.9317016601562, 0.0, 2.0, 0.773872077465057, , 9.0, 2.0, 28.0, 10.0, 8.0, 6.0, 0.879700005054474, 4.0, 3.10999989509583, 50.0, 3.21700000762939 -InChI%3D1S%2FC23H36N2O2%2Fc1-21%282%2C3%2925-20%2827%2917-8-7-15-14-6-9-18-23%285%2C13-11-19%2826%2924-18%2916%2814%2910-12-22%2815%2C17%294%2Fh11%2C13-18H%2C6-10%2C12H2%2C1-5H3%2C%28H%2C24%2C26%29%28H%2C25%2C27%29%2Ft14%3F%2C15%3F%2C16-%2C17%2B%2C18%2B%2C22-%2C23%2B%2Fm0%2Fs1, 105.400901794434, 1.0, 0.0, 3.57512474060059, , 5.0, 2.0, 30.0, 0.0, 7.0, 0.0, 1.89079999923706, 2.0, 3.54999995231628, 63.0, 5.31099987030029 -InChI%3D1S%2FC27H29NO11%2Fc1-10-22%2831%2913%2828%296-17%2838-10%2939-15-8-27%2836%2C16%2830%299-29%297-12-19%2815%2926%2835%2921-20%2824%2812%2933%2923%2832%2911-4-3-5-14%2837-2%2918%2811%2925%2821%2934%2Fh3-5%2C10%2C13%2C15%2C17%2C22%2C29%2C31%2C33%2C35-36H%2C6-9%2C28H2%2C1-2H3%2Ft10-%2C13-%2C15-%2C17-%2C22%2B%2C27-%2Fm0%2Fs1, 85.2879028320312, 1.0, 2.0, 19.5257930755615, , 19.0, 6.0, 43.0, 12.0, 4.0, 12.0, -4.41879987716675, 5.0, 3.10999989509583, 68.0, -1.67900002002716 -InChI%3D1S%2FC13H10N2O4%2Fc16-10-6-5-9%2811%2817%2914-10%2915-12%2818%297-3-1-2-4-8%287%2913%2815%2919%2Fh1-4%2C9H%2C5-6H2%2C%28H%2C14%2C16%2C17%29, 36.3844985961914, 0.0, 0.0, 4.07999610900879, , 11.0, 1.0, 21.0, 6.0, 0.0, 6.0, -2.01990008354187, 1.0, 2.23000001907349, 29.0, 1.35500001907349 -InChI%3D1S%2FC20H28N2O5%2Fc1-3-27-20%2826%2916%2812-11-15-8-5-4-6-9-15%2921-14%282%2918%2823%2922-13-7-10-17%2822%2919%2824%2925%2Fh4-6%2C8-9%2C14%2C16-17%2C21H%2C3%2C7%2C10-13H2%2C1-2H3%2C%28H%2C24%2C25%29%2Ft14-%2C16-%2C17-%2Fm0%2Fs1, 68.4225006103516, 1.0, 4.0, 5.03284358978271, , 6.0, 2.0, 28.0, 6.0, 13.0, 6.0, -2.24340009689331, 11.0, 2.89000010490417, 55.0, 4.14099979400635 -InChI%3D1S%2FC8H18NO2.ClH%2Fc1-7%2811-8%282%2910%296-9%283%2C4%295%3B%2Fh7H%2C6H2%2C1-5H3%3B1H%2Fq%2B1%3B%2Fp-1, , 0.0, 3.0, , , 3.0, 0.0, 10.0, 0.0, 11.0, 0.0, , 4.0, 1.89999997615814, 30.0, 0.875 -InChI%3D1S%2FC17H14Cl2N2O2%2Fc18-11-5-6-15-13%287-11%2917%2812-3-1-2-4-14%2812%2919%299-23-10-21%2817%298-16%2822%2920-15%2Fh1-7H%2C8-10H2%2C%28H%2C20%2C22%29, 40.0358009338379, 0.0, 0.0, 0.634412229061127, , 9.0, 1.0, 26.0, 12.0, 0.0, 12.0, 0.796500027179718, 1.0, 2.67000007629395, 37.0, 4.0789999961853 -InChI%3D1S%2FC8H11N5O3%2Fc9-8-11-6-5%287%2815%2912-8%2910-3-13%286%294-16-2-1-14%2Fh3%2C14H%2C1-2%2C4H2%2C%28H3%2C9%2C11%2C12%2C15%29, 37.6818008422852, 0.0, 2.0, 1.87717401981354, , 4.0, 6.0, 17.0, 5.0, 5.0, 0.0, -1.3701000213623, 4.0, 1.46000003814697, 29.0, -0.986999988555908 -InChI%3D1S%2FC5H10O5%2Fc6-2-1-10-5%289%294%288%293%282%297%2Fh2-9H%2C1H2%2Ft2%3F%2C3-%2C4%2B%2C5%3F%2Fm0%2Fs1, 29.9608993530273, 0.0, 0.0, 4.01080751419067, , 0.0, 4.0, 10.0, 0.0, 0.0, 0.0, -2.00270009040833, 0.0, 1.46000003814697, 20.0, -1.4539999961853 -InChI%3D1S%2FC26H28ClNO%2Fc1-28%282%2919-20-29-24-15-13-23%2814-16-24%2926%2822-11-7-4-8-12-22%2925%2817-18-27%2921-9-5-3-6-10-21%2Fh3-16H%2C17-20H2%2C1-2H3, 47.9929008483887, 1.0, 4.0, 1.38062500953674, , 21.0, 0.0, 31.0, 18.0, 6.0, 18.0, 1.17499995231628, 9.0, 3.99000000953674, 57.0, 10.4650001525879 -InChI%3D1S%2FC25H32ClN5O2%2Fc1-2-24-27-31%2825%2832%2930%2824%2918-19-33-23-10-4-3-5-11-23%2913-7-12-28-14-16-29%2817-15-28%2922-9-6-8-21%2826%2920-22%2Fh3-6%2C8-11%2C20H%2C2%2C7%2C12-19H2%2C1H3, 78.8703002929688, 1.0, 3.0, 0.534653425216675, , 7.0, 1.0, 36.0, 12.0, 3.0, 12.0, -0.731199979782104, 10.0, 3.32999992370605, 67.0, 5.40000009536743 -InChI%3D1S%2FC4H6N4O12%2Fc9-5%2810%2917-1-3%2819-7%2813%2914%294%2820-8%2815%2916%292-18-6%2811%2912%2Fh3-4H%2C1-2H2%2Ft3-%2C4%2B, 33.1641998291016, 1.0, 4.0, 0.018063360825181, , 4.0, 0.0, 19.0, 0.0, 20.0, 0.0, -0.134399995207787, 11.0, 0.140000000596046, 26.0, 1.25600004196167 -InChI%3D1S%2FC18H17ClN2O2%2Fc1-12-10-21-11-17%2822%2920-16-8-7-14%2819%299-15%2816%2918%2821%2C23-12%2913-5-3-2-4-6-13%2Fh2-9%2C12H%2C10-11H2%2C1H3%2C%28H%2C20%2C22%29%2Ft12-%2C18%2B%2Fm1%2Fs1, 39.4804992675781, 0.0, 0.0, 0.124256253242493, , 9.0, 1.0, 26.0, 12.0, 0.0, 12.0, 0.35249999165535, 1.0, 2.89000010490417, 40.0, 4.86499977111816 -InChI%3D1S%2FC12H17N3O4S%2Fc1-6%2816%299-7-4-8%2820-3-2-14-5-13%2910%2812%2818%2919%2915%287%2911%289%2917%2Fh5-7%2C9%2C16H%2C2-4H2%2C1H3%2C%28H2%2C13%2C14%29%28H%2C18%2C19%29%2Ft6-%2C7-%2C9-%2Fm1%2Fs1, 74.236198425293, 0.0, 2.0, 2.66016101837158, , 8.0, 4.0, 21.0, 0.0, 6.0, 0.0, -1.63100004196167, 7.0, 1.89999997615814, 37.0, -0.193000003695488 -InChI%3D1S%2FC20H24N2%2Fc1-15%2819-10-6-7-12-21-19%2920-17%2811-13-22%282%293%2914-16-8-4-5-9-18%2816%2920%2Fh4-10%2C12%2C15H%2C11%2C13-14H2%2C1-3H3, 44.470100402832, 1.0, 2.0, 1.3252614736557, , 8.0, 0.0, 24.0, 12.0, 5.0, 12.0, 1.15120005607605, 5.0, 3.44000005722046, 46.0, 5.13700008392334 -InChI%3D1S%2FC24H32O6%2Fc1-13-9-16-17-6-8-24%2829%2C20%2828%2912-30-14%282%2925%2923%2817%2C4%2911-19%2827%2921%2816%2922%283%297-5-15%2826%2910-18%2813%2922%2Fh5%2C7%2C10%2C13%2C16-17%2C19%2C21%2C27%2C29H%2C6%2C8-9%2C11-12H2%2C1-4H3%2Ft13-%2C16%3F%2C17-%2C19-%2C21%2B%2C22%3F%2C23%3F%2C24-%2Fm0%2Fs1, 110.430603027344, 0.0, 2.0, 0.360960632562637, , 6.0, 2.0, 33.0, 0.0, 7.0, 0.0, -0.600799977779388, 4.0, 3.44000005722046, 62.0, 1.83599996566772 -InChI%3D1S%2FC23H29ClFN3O4%2Fc1-30-21-13-19%2826%2918%2824%2912-17%2821%2923%2829%2927-20-8-10-28%2814-22%2820%2931-2%299-3-11-32-16-6-4-15%2825%295-7-16%2Fh4-7%2C12-13%2C20%2C22H%2C3%2C8-11%2C14%2C26H2%2C1-2H3%2C%28H%2C27%2C29%29, 69.7097015380859, 0.0, 3.0, 0.353430241346359, , 11.0, 2.0, 34.0, 12.0, 4.0, 12.0, -0.594500005245209, 9.0, 3.0, 61.0, 3.27300000190735 -InChI%3D1S%2FC15H14F3N3O4S2%2Fc16-15%2817%2C18%2910-7-11-13%288-12%2810%2926%2819%2C22%2923%2927%2824%2C25%2921-14%2820-11%296-9-4-2-1-3-5-9%2Fh1-5%2C7-8%2C14%2C20-21H%2C6H2%2C%28H2%2C19%2C22%2C23%29, 39.6470985412598, 0.0, 0.0, 0.652056276798248, , 15.0, 3.0, 29.0, 12.0, 4.0, 12.0, -0.807500004768372, 4.0, 1.78999996185303, 41.0, 3.48000001907349 -InChI%3D1S%2FC14H10O5%2Fc15-11-7-3-1-5-9%2811%2914%2818%2919-12-8-4-2-6-10%2812%2913%2816%2917%2Fh1-8%2C15H%2C%28H%2C16%2C17%29, 16.0755996704102, 0.0, 0.0, 0.625997424125671, , 19.0, 2.0, 20.0, 12.0, 3.0, 12.0, -0.79119998216629, 4.0, 2.45000004768372, 29.0, 3.81100010871887 -InChI%3D1S%2FC10H15N%2Fc1-10%282%2C11%298-9-6-4-3-5-7-9%2Fh3-7H%2C8%2C11H2%2C1-2H3, 22.7446994781494, 0.0, 3.0, 0.0273571591824293, , 6.0, 1.0, 11.0, 6.0, 5.0, 6.0, 0.165399998426437, 2.0, 2.45000004768372, 26.0, 3.99900007247925 -InChI%3D1S%2FC6H11IO3%2Fc7-2-1-6-9-4-5%283-8%2910-6%2Fh5-6%2C8H%2C1-4H2, 43.3726005554199, 0.0, 2.0, 0.230592042207718, , 0.0, 1.0, 10.0, 0.0, 3.0, 0.0, 0.480199992656708, 3.0, 1.67999994754791, 21.0, 0.782999992370605 -InChI%3D1S%2FC10H13FN5O7P%2Fc11-10-14-7%2812%294-8%2815-10%2916%282-13-4%299-6%2818%295%2817%293%2823-9%291-22-24%2819%2C20%2921%2Fh2-3%2C5-6%2C9%2C17-18H%2C1H2%2C%28H2%2C12%2C14%2C15%29%28H2%2C19%2C20%2C21%29%2Ft3%3F%2C5-%2C6%2B%2C9%3F%2Fm1%2Fs1, 45.9729995727539, 1.0, 0.0, 4.46054410934448, , 9.0, 6.0, 26.0, 10.0, 6.0, 6.0, -2.11199998855591, 4.0, 1.01999998092651, 37.0, -3.08800005912781 -InChI%3D1S%2FC14H19NO5%2Fc1-17-11-8-10%289-12%2818-2%2913%2811%2919-3%2914%2816%2915-4-6-20-7-5-15%2Fh8-9H%2C4-7H2%2C1-3H3, 49.8568000793457, 0.0, 0.0, 0.806224405765533, , 12.0, 0.0, 21.0, 6.0, 2.0, 6.0, -0.897899985313416, 5.0, 2.33999991416931, 39.0, 0.232999995350838 -InChI%3D1S%2FC2H4Cl3O4P%2Fc3-2%284%2C5%291-9-10%286%2C7%298%2Fh1H2%2C%28H2%2C6%2C7%2C8%29, 38.5150985717773, 0.0, 2.0, 1.69963371753693, , 5.0, 2.0, 9.0, 0.0, 10.0, 0.0, 1.30369997024536, 3.0, 0.800000011920929, 14.0, 0.108000002801418 -InChI%3D1S%2FC14H10F3NO2%2Fc15-14%2816%2C17%299-4-3-5-10%288-9%2918-12-7-2-1-6-11%2812%2913%2819%2920%2Fh1-8%2C18H%2C%28H%2C19%2C20%29, 16.9538993835449, 1.0, 0.0, 0.191756412386894, , 16.0, 2.0, 21.0, 12.0, 3.0, 12.0, 0.437900006771088, 4.0, 2.33999991416931, 30.0, 5.47900009155273 -InChI%3D1S%2FC10H13ClN2O3S%2Fc1-2-7-12-10%2814%2913-17%2815%2C16%299-5-3-8%2811%294-6-9%2Fh3-6H%2C2%2C7H2%2C1H3%2C%28H2%2C12%2C13%2C14%29, 38.5704002380371, 0.0, 3.0, 0.0419020913541317, , 13.0, 2.0, 17.0, 6.0, 10.0, 6.0, -0.204699993133545, 5.0, 1.78999996185303, 30.0, 2.3529999256134 -InChI%3D1S%2FC2H5NO2%2Fc3-1-2%284%295%2Fh1%2C3H2%2C%28H%2C4%2C5%29, 16.0034008026123, 0.0, 2.0, 1.41967225074768, , 3.0, 2.0, 4.0, 0.0, 5.0, 0.0, -1.19149994850159, 1.0, 1.35000002384186, 10.0, -3.34999990463257 -InChI%3D1S%2FC20H25NO2S2%2Fc1-14-7-11-24-18%2814%2917%2819-15%282%298-12-25-19%296-4-10-21-9-3-5-16%2813-21%2920%2822%2923%2Fh6-8%2C11-12%2C16H%2C3-5%2C9-10%2C13H2%2C1-2H3%2C%28H%2C22%2C23%29%2Ft16-%2Fm1%2Fs1, 73.840202331543, 0.0, 4.0, 4.32848024368286, , 12.0, 1.0, 27.0, 10.0, 4.0, 10.0, 2.08049988746643, 6.0, 3.10999989509583, 50.0, 4.01200008392334 -InChI%3D1S%2FC17H19NO4%2Fc1-18-7-6-16-13-9-2-3-10%2819%2914%2813%2922-15%2816%2911%2820%294-5-17%2816%2C21%2912%2818%298-9%2Fh2-3%2C12%2C15%2C19%2C21H%2C4-8H2%2C1H3%2Ft12-%2C15%2B%2C16%2B%2C17-%2Fm1%2Fs1, 55.3636016845703, 0.0, 0.0, 2.14681100845337, , 8.0, 2.0, 26.0, 6.0, 0.0, 6.0, -1.46519994735718, 0.0, 2.77999997138977, 41.0, -0.00300000002607703 -InChI%3D1S%2FC20H33N2O.CH4O4S%2Fc1-22%282%2915-13-21%2814-16-22%2917-20%2823%2C18-9-5-3-6-10-18%2919-11-7-4-8-12-19%3B1-5-6%282%2C3%294%2Fh3%2C5-6%2C9-10%2C19%2C23H%2C4%2C7-8%2C11-17H2%2C1-2H3%3B1H3%2C%28H%2C2%2C3%2C4%29%2Fq%2B1%3B%2Fp-1, 78.8497009277344, 0.0, 2.0, 13.3721866607666, , 6.0, 1.0, 30.0, 6.0, 6.0, 6.0, -3.65680003166199, 5.0, 2.89000010490417, 65.0, 2.39400005340576 -InChI%3D1S%2FC8H8N4%2Fc9-11-8-7-4-2-1-3-6%287%295-10-12-8%2Fh1-5H%2C9H2%2C%28H%2C11%2C12%29, 21.9948997497559, 0.0, 0.0, 2.19306492805481, , 11.0, 3.0, 13.0, 6.0, 2.0, 6.0, -1.48090004920959, 0.0, 1.89999997615814, 22.0, 1.80900001525879 -InChI%3D1S%2FC22H24ClN3O%2Fc1-25-13-4-5-18%2812-14-25%2926-22%2827%2920-7-3-2-6-19%2820%2921%2824-26%2915-16-8-10-17%2823%2911-9-16%2Fh2-3%2C6-11%2C18H%2C4-5%2C12-15H2%2C1H3, 54.7722015380859, 1.0, 0.0, 1.15476512908936, , 10.0, 1.0, 30.0, 12.0, 0.0, 12.0, -1.07459998130798, 3.0, 3.32999992370605, 53.0, 5.77199983596802 -InChI%3D1S%2FC12H15ClO3%2Fc1-4-15-11%2814%2912%282%2C3%2916-10-7-5-9%2813%296-8-10%2Fh5-8H%2C4H2%2C1-3H3, 37.2849006652832, 0.0, 3.0, 2.09062671661377, , 7.0, 0.0, 16.0, 6.0, 9.0, 6.0, 1.44589996337891, 5.0, 2.33999991416931, 31.0, 3.21000003814697 -InChI%3D1S%2FC12H10N2O5%2Fc1-2-14-7-4-9-8%2818-5-19-9%293-6%287%2911%2815%2910%2813-14%2912%2816%2917%2Fh3-4H%2C2%2C5H2%2C1H3%2C%28H%2C16%2C17%29, 39.548698425293, 0.0, 2.0, 1.03612041473389, , 12.0, 1.0, 21.0, 6.0, 2.0, 6.0, -1.01789999008179, 2.0, 2.00999999046326, 31.0, 0.680999994277954 -InChI%3D1S%2FC8H12N4O5%2Fc9-6%2816%297-10-2-12%2811-7%298-5%2815%294%2814%293%281-13%2917-8%2Fh2-5%2C8%2C13-15H%2C1H2%2C%28H2%2C9%2C16%29%2Ft3%3F%2C4-%2C5-%2C8-%2Fm1%2Fs1, 37.7358016967773, 0.0, 0.0, 4.68289613723755, , 3.0, 6.0, 18.0, 5.0, 2.0, 0.0, -2.16400003433228, 3.0, 1.35000002384186, 29.0, -3.04399991035461 -InChI%3D1S%2FC28H38O7%2Fc1-5-6-7-24%2833%2935-28%2823%2832%2916-34-17%282%2929%2913-11-21-20-9-8-18-14-19%2830%2910-12-26%2818%2C3%2925%2820%2922%2831%2915-27%2821%2C28%294%2Fh10%2C12%2C14%2C20-22%2C25%2C31H%2C5-9%2C11%2C13%2C15-16H2%2C1-4H3%2Ft20%3F%2C21-%2C22-%2C25%2B%2C26-%2C27-%2C28-%2Fm0%2Fs1, 126.34529876709, 0.0, 5.0, 0.359160482883453, , 6.0, 1.0, 38.0, 0.0, 7.0, 0.0, -0.599300026893616, 9.0, 3.76999998092651, 73.0, 3.46300005912781 -InChI%3D1S%2FC24H32O4%2Fc1-4-22%2825%2927-16-7-9-17-15%2814-16%296-8-19-18%2817%2912-13-24%283%2920%2819%2910-11-21%2824%2928-23%2826%295-2%2Fh7%2C9%2C14%2C18-21H%2C4-6%2C8%2C10-13H2%2C1-3H3%2Ft18-%2C19%3F%2C20%2B%2C21%2B%2C24%3F%2Fm1%2Fs1, 80.9460983276367, 1.0, 3.0, 0.19421648979187, , 9.0, 0.0, 31.0, 6.0, 5.0, 6.0, 0.440699994564056, 6.0, 3.66000008583069, 60.0, 6.63199996948242 -InChI%3D1S%2FC28H46O%2Fc1-19%282%2920%283%299-10-22%285%2926-15-16-27-23%288-7-17-28%2826%2C27%296%2912-13-24-18-25%2829%2914-11-21%2824%294%2Fh9-10%2C12-13%2C19-22%2C25-27%2C29H%2C7-8%2C11%2C14-18H2%2C1-6H3, 123.60179901123, 1.0, 7.0, 3.84003210067749, , 4.0, 1.0, 31.0, 0.0, 9.0, 0.0, 1.95959997177124, 5.0, 4.42999982833862, 75.0, 10.0609998703003 -InChI%3D1S%2FC22H27NO2%2Fc1-4-22%2824%2910-8-18-16-6-5-15-11-19-14%2813-23-25-19%2912-20%2815%2C2%2917%2816%297-9-21%2818%2C22%293%2Fh1%2C11%2C13%2C16-18%2C24H%2C5-10%2C12H2%2C2-3H3%2Ft16%3F%2C17-%2C18-%2C20-%2C21-%2C22-%2Fm0%2Fs1, 81.6821975708008, 0.0, 2.0, 3.65153884887695, , 2.0, 2.0, 29.0, 5.0, 2.0, 0.0, 1.91089999675751, 0.0, 3.54999995231628, 52.0, 4.47200012207031 -InChI%3D1S%2FC9H19N%2Fc1-8%282%296-5-7-9%283%2910-4%2Fh6%2C9-10H%2C5%2C7H2%2C1-4H3, 45.7593994140625, 0.0, 7.0, 1.45588350296021, , 2.0, 1.0, 9.0, 0.0, 10.0, 0.0, 1.20659995079041, 4.0, 2.33999991416931, 29.0, 2.42300009727478 -InChI%3D1S%2FC6H14N4O2%2Fc7-4%285%2811%2912%292-1-3-10-6%288%299%2Fh4H%2C1-3%2C7H2%2C%28H%2C11%2C12%29%28H4%2C8%2C9%2C10%29, 36.4992980957031, 0.0, 5.0, 4.75545263290405, , 4.0, 5.0, 11.0, 0.0, 12.0, 0.0, -2.18070006370544, 6.0, 1.46000003814697, 26.0, -2.92400002479553 -InChI%3D1S%2FC4H4FN3O%2Fc5-2-1-7-4%289%298-3%282%296%2Fh1H%2C%28H3%2C6%2C7%2C8%2C9%29, 26.8586006164551, 0.0, 0.0, 0.0928420871496201, , 3.0, 4.0, 9.0, 0.0, 0.0, 0.0, -0.30469998717308, 0.0, 1.35000002384186, 17.0, -0.646000027656555 -InChI%3D1S%2FC9H18N6%2Fc1-13%282%297-10-8%2814%283%294%2912-9%2811-7%2915%285%296%2Fh1-6H3, 42.8741989135742, 0.0, 0.0, 0.42693156003952, , 9.0, 0.0, 15.0, 6.0, 3.0, 6.0, 0.653400003910065, 3.0, 1.78999996185303, 33.0, 0.284999996423721 -InChI%3D1S%2FC21H30O3%2Fc1-13%2822%2924-15-8-10-20%282%2914%2812-15%294-5-16-17-6-7-19%2823%2921%2817%2C3%2911-9-18%2816%2920%2Fh4%2C15-18H%2C5-12H2%2C1-3H3%2Ft15-%2C16%3F%2C17-%2C18-%2C20%3F%2C21%3F%2Fm0%2Fs1, 91.5783004760742, 0.0, 2.0, 0.3070268034935, , 3.0, 0.0, 27.0, 0.0, 4.0, 0.0, 0.554099977016449, 2.0, 3.44000005722046, 54.0, 3.77500009536743 -InChI%3D1S%2FC15H10ClN3O3%2Fc16-12-4-2-1-3-10%2812%2915-11-7-9%2819%2821%2922%295-6-13%2811%2918-14%2820%298-17-15%2Fh1-7H%2C8H2%2C%28H%2C18%2C20%29, 28.1429004669189, 0.0, 0.0, 0.0952956900000572, , 20.0, 1.0, 24.0, 12.0, 2.0, 12.0, 0.308699995279312, 2.0, 2.33999991416931, 32.0, 3.76200008392334 -InChI%3D1S%2FC32H44F3N3O2S%2Fc1-2-3-4-5-6-7-8-14-31%2839%2940-24-23-37-21-19-36%2820-22-37%2917-11-18-38-27-12-9-10-13-29%2827%2941-30-16-15-26%2825-28%2830%2938%2932%2833%2C34%2935%2Fh9-10%2C12-13%2C15-16%2C25H%2C2-8%2C11%2C14%2C17-24H2%2C1H3, 100.652099609375, 2.0, 10.0, 0.238046407699585, , 13.0, 0.0, 44.0, 12.0, 14.0, 12.0, -0.487899988889694, 17.0, 3.99000000953674, 85.0, 9.38500022888184 -InChI%3D1S%2FC27H44O2%2Fc1-18%282%298-6-9-19%283%2924-13-14-25-21%2810-7-15-27%2824%2C25%295%2911-12-22-16-23%2828%2917-26%2829%2920%2822%294%2Fh11-12%2C18-19%2C23-26%2C28-29H%2C4%2C6-10%2C13-17H2%2C1-3%2C5H3%2Fb21-11-%2C22-12%2B%2Ft19-%2C23-%2C24-%2C25%2B%2C26%2B%2C27%3F%2Fm1%2Fs1, 118.465599060059, 1.0, 7.0, 1.4251583814621, , 6.0, 2.0, 31.0, 0.0, 8.0, 0.0, 1.19379997253418, 6.0, 4.21000003814697, 73.0, 8.71000003814697 -InChI%3D1S%2FC18H22N2%2Fc1-19-13-6-14-20-17-9-4-2-7-15%2817%2911-12-16-8-3-5-10-18%2816%2920%2Fh2-5%2C7-10%2C19H%2C6%2C11-14H2%2C1H3, 33.961498260498, 1.0, 3.0, 0.19793601334095, , 13.0, 1.0, 22.0, 12.0, 5.0, 12.0, -0.444900006055832, 4.0, 3.22000002861023, 42.0, 5.00500011444092 -InChI%3D1S%2FC22H38O5%2Fc1-4-5-14-22%282%2C26%2915-10-12-18-17%2819%2823%2916-20%2818%2924%2911-8-6-7-9-13-21%2825%2927-3%2Fh10%2C12%2C17-18%2C20%2C24%2C26H%2C4-9%2C11%2C13-16H2%2C1-3H3%2Fb12-10%2B%2Ft17-%2C18%3F%2C20-%2C22%3F%2Fm1%2Fs1, 96.8757019042969, 1.0, 8.0, 4.34931039810181, , 3.0, 2.0, 27.0, 0.0, 10.0, 0.0, -2.08550000190735, 14.0, 3.32999992370605, 65.0, 3.56699991226196 -InChI%3D1S%2FC20H25ClN2O5%2Fc1-4-28-20%2825%2918-15%2811-27-10-9-22%2923-12%282%2916%2819%2824%2926-3%2917%2818%2913-7-5-6-8-14%2813%2921%2Fh5-8%2C17%2C23H%2C4%2C9-11%2C22H2%2C1-3H3, 83.3964004516602, 0.0, 2.0, 0.0135024404153228, , 11.0, 2.0, 29.0, 6.0, 5.0, 6.0, -0.116200000047684, 10.0, 2.77999997138977, 53.0, 3.24799990653992 -InChI%3D1S%2FC28H40Cl2N4O2.2ClH%2Fc1-5-33%286-2%2C21-23-13-9-11-15-25%2823%2929%2919-17-31-27%2835%2928%2836%2932-18-20-34%287-3%2C8-4%2922-24-14-10-12-16-26%2824%2930%3B%3B%2Fh9-16H%2C5-8%2C17-22H2%2C1-4H3%3B2%2A1H, 91.4899978637695, 2.0, 2.0, 3.55699610710144, , 6.0, 0.0, 37.0, 12.0, 22.0, 12.0, -1.8860000371933, 15.0, 3.44000005722046, 80.0, 6.93200016021729 -InChI%3D1S%2FC5H5N3O%2Fc6-5%289%294-3-7-1-2-8-4%2Fh1-3H%2C%28H2%2C6%2C9%29, 8.47640037536621, 0.0, 0.0, 0.00665856013074517, , 9.0, 2.0, 9.0, 6.0, 3.0, 6.0, -0.0816000029444695, 1.0, 1.57000005245209, 14.0, 0.0350000001490116 -InChI%3D1S%2FC16H18N3S.ClH%2Fc1-18%282%2911-5-7-13-15%289-11%2920-16-10-12%2819%283%294%296-8-14%2816%2917-13%3B%2Fh5-10H%2C1-4H3%3B1H%2Fq%2B1%3B%2Fp-1, , 0.0, 0.0, , , 16.0, 0.0, 22.0, 16.0, 3.0, 14.0, , 2.0, 2.67000007629395, 39.0, 3.73300004005432 -InChI%3D1S%2FC11H12N4O3S%2Fc1-18-9-6-13-11%2814-7-9%2915-19%2816%2C17%2910-4-2-8%2812%293-5-10%2Fh2-7H%2C12H2%2C1H3%2C%28H%2C13%2C14%2C15%29, 22.679500579834, 0.0, 0.0, 3.02133917808533, , 18.0, 2.0, 20.0, 12.0, 4.0, 12.0, -1.73819994926453, 4.0, 1.78999996185303, 31.0, 0.296000003814697 -InChI%3D1S%2FC24H19NO5%2Fc1-15%2826%2929-19-11-7-17%288-12-19%2924%2818-9-13-20%2814-10-18%2930-16%282%2927%2921-5-3-4-6-22%2821%2925-23%2824%2928%2Fh3-14H%2C1-2H3%2C%28H%2C25%2C28%29, 34.5290985107422, 1.0, 2.0, 0.376750439405441, , 9.0, 1.0, 33.0, 18.0, 4.0, 18.0, -0.61379998922348, 6.0, 3.44000005722046, 49.0, 5.90100002288818 -InChI%3D1S%2FC17H25N3O2S%2Fc1-18-23%2821%2C22%2910-7-13-3-4-17-15%2811-13%2916%2812-19-17%2914-5-8-20%282%299-6-14%2Fh3-4%2C11-12%2C14%2C18-19H%2C5-10H2%2C1-2H3, 52.6473999023438, 0.0, 2.0, 1.71714818477631, , 7.0, 2.0, 25.0, 10.0, 7.0, 6.0, -1.31040000915527, 5.0, 2.67000007629395, 47.0, 1.82099997997284 -InChI%3D1S%2FC34H50O7%2Fc1-29%282%2923-10-13-34%287%2927%2832%2823%2C5%2912-11-24%2829%2941-26%2838%299-8-25%2836%2937%2922%2835%2918-20-21-19-31%284%2C28%2839%2940%2915-14-30%2821%2C3%2916-17-33%2820%2C34%296%2Fh18%2C21%2C23-24%2C27H%2C8-17%2C19H2%2C1-7H3%2C%28H%2C36%2C37%29%28H%2C39%2C40%29%2Ft21-%2C23-%2C24-%2C27%2B%2C30%2B%2C31-%2C32%3F%2C33%2B%2C34%2B%2Fm0%2Fs1, 154.325103759766, 1.0, 4.0, 3.54230046272278, , 4.0, 2.0, 45.0, 0.0, 8.0, 0.0, 1.88209998607635, 6.0, 4.42999982833862, 91.0, 6.85500001907349 -InChI%3D1S%2FC12H22O11%2Fc13-1-3-5%2815%296%2816%299%2819%2912%2822-3%2923-10-4%282-14%2921-11%2820%298%2818%297%2810%2917%2Fh3-20H%2C1-2H2%2Ft3-%2C4%3F%2C5-%2C6%2B%2C7-%2C8-%2C9-%2C10-%2C11-%2C12%3F%2Fm1%2Fs1, 68.3367004394531, 2.0, 0.0, 18.1501560211182, , 0.0, 8.0, 24.0, 0.0, 2.0, 0.0, -4.26030015945435, 4.0, 1.57000005245209, 45.0, -3.66300010681152 -InChI%3D1S%2FC9H18N2O2%2Fc1-4-6%283%297%285-2%298%2812%2911-9%2810%2913%2Fh6-7H%2C4-5H2%2C1-3H3%2C%28H3%2C10%2C11%2C12%2C13%29, 46.5313987731934, 0.0, 6.0, 0.601710498332977, , 6.0, 3.0, 12.0, 0.0, 13.0, 0.0, -0.775699973106384, 5.0, 2.00999999046326, 31.0, 2.5789999961853 -InChI%3D1S%2FC15H21NO2%2Fc1-3-18-14%2817%2915%289-11-16%282%2912-10-15%2913-7-5-4-6-8-13%2Fh4-8H%2C3%2C9-12H2%2C1-2H3, 45.8254013061523, 0.0, 2.0, 0.293438881635666, , 6.0, 0.0, 19.0, 6.0, 5.0, 6.0, 0.541700005531311, 4.0, 2.77999997138977, 39.0, 3.83100008964539 -InChI%3D1S%2FC17H15NO5%2Fc1-11%2819%2918-13-7-9-14%2810-8-13%2923-17%2821%2915-5-3-4-6-16%2815%2922-12%282%2920%2Fh3-10H%2C1-2H3%2C%28H%2C18%2C19%29, 31.9085998535156, 1.0, 2.0, 0.0595359988510609, , 21.0, 1.0, 24.0, 12.0, 4.0, 12.0, -0.244000002741814, 6.0, 2.67000007629395, 38.0, 4.50699996948242 -InChI%3D1S%2FC7H8N2O.ClH%2Fc1-9-5-3-2-4-7%289%296-8-10%3B%2Fh2-6H%2C1H3%3B1H, 33.9443016052246, 0.0, 0.0, 1.61722087860107, , 5.0, 0.0, 10.0, 0.0, 3.0, 0.0, -1.2717000246048, 1.0, 1.78999996185303, 24.0, 1.62000000476837 -InChI%3D1S%2FC20H23N%2Fc1-21%282%2915-7-12-20-18-10-5-3-8-16%2818%2913-14-17-9-4-6-11-19%2817%2920%2Fh3-6%2C8-12H%2C7%2C13-15H2%2C1-2H3, 40.744499206543, 1.0, 3.0, 0.11451455950737, , 14.0, 0.0, 23.0, 12.0, 6.0, 12.0, 0.33840000629425, 3.0, 3.54999995231628, 44.0, 8.27499961853027 -InChI%3D1S%2FC19H23NO5%2Fc1-23-17-7-11%288-18%2824-2%2919%2817%2925-3%296-14-13-10-16%2822%2915%2821%299-12%2813%294-5-20-14%2Fh7-10%2C14%2C20-22H%2C4-6H2%2C1-3H3%2Ft14-%2Fm0%2Fs1, 47.8039016723633, 0.0, 0.0, 1.48157584667206, , 9.0, 3.0, 27.0, 12.0, 2.0, 12.0, -1.21720004081726, 5.0, 2.89000010490417, 48.0, 1.77699995040894 -InChI%3D1S%2FC42H69NO15%2Fc1-11-16-32%2848%2955-40-27%286%2953-34%2823-42%2840%2C7%2958-31%2847%2912-2%2956-37-26%285%2954-41%2836%2850%2935%2837%2943%288%299%2957-38-28%2819-20-44%2921-24%283%2929%2845%2918-15-13-14-17-25%284%2952-33%2849%2922-30%2846%2939%2838%2951-10%2Fh13-15%2C18%2C20%2C24-30%2C34-41%2C45-46%2C50H%2C11-12%2C16-17%2C19%2C21-23H2%2C1-10H3%2Fb14-13-%2C18-15-%2Ft24-%2C25-%2C26-%2C27%2B%2C28%2B%2C29%2B%2C30-%2C34%2B%2C35-%2C36-%2C37%3F%2C38%3F%2C39%2B%2C40%2B%2C41%2B%2C42-%2Fm1%2Fs1, 207.519805908203, 2.0, 4.0, 2.34641122817993, , 4.0, 3.0, 60.0, 0.0, 6.0, 0.0, -1.53180003166199, 15.0, 4.32000017166138, 127.0, 2.69600009918213 -InChI%3D1S%2FC21H36O5%2Fc1-3-4-9-13-21%282%2C26%2914-12-17-16%2818%2822%2915-19%2817%2923%2910-7-5-6-8-11-20%2824%2925%2Fh5%2C7%2C12%2C14%2C16-19%2C22-23%2C26H%2C3-4%2C6%2C8-11%2C13%2C15H2%2C1-2H3%2C%28H%2C24%2C25%29%2Fb7-5%2B%2C14-12%2B%2Ft16-%2C17%3F%2C18%2B%2C19%3F%2C21%2B%2Fm1%2Fs1, 94.7621002197266, 1.0, 8.0, 4.09576654434204, , 3.0, 4.0, 26.0, 0.0, 10.0, 0.0, -2.02379989624023, 12.0, 3.22000002861023, 62.0, 3.31299996376038 -InChI%3D1S%2FC21H27ClO3%2Fc1-12%2823%2921%2825%299-6-16-14-11-18%2822%2917-10-13%2824%294-7-19%2817%2C2%2915%2814%295-8-20%2816%2C21%293%2Fh10-11%2C14-16%2C25H%2C4-9H2%2C1-3H3%2Ft14%3F%2C15-%2C16-%2C19%2B%2C20-%2C21-%2Fm0%2Fs1, 99.6415023803711, 0.0, 0.0, 1.22544896602631, , 6.0, 1.0, 28.0, 0.0, 2.0, 0.0, 1.10699999332428, 1.0, 3.32999992370605, 52.0, 2.65000009536743 -InChI%3D1S%2FC16H17N3O7S2%2Fc1-25-16%2818-10%2820%295-9-3-2-4-27-9%2913%2823%2919-11%2812%2821%2922%298%286-26-15%2817%2924%297-28-14%2816%2919%2Fh2-4%2C14H%2C5-7H2%2C1H3%2C%28H2%2C17%2C24%29%28H%2C18%2C20%29%28H%2C21%2C22%29%2Ft14-%2C16%3F%2Fm1%2Fs1, 83.7455978393555, 0.0, 2.0, 0.459684014320374, , 8.0, 4.0, 30.0, 5.0, 5.0, 5.0, 0.677999973297119, 8.0, 1.89999997615814, 45.0, 0.679000020027161 -InChI%3D1S%2FC14H19N3S%2Fc1-16%282%299-10-17%2812-13-6-5-11-18-13%2914-7-3-4-8-15-14%2Fh3-8%2C11H%2C9-10%2C12H2%2C1-2H3, 39.119499206543, 0.0, 2.0, 0.733420968055725, , 7.0, 0.0, 19.0, 11.0, 7.0, 11.0, 0.856400012969971, 6.0, 2.55999994277954, 37.0, 2.95000004768372 -InChI%3D1S%2FC49H76O20%2Fc1-21-43%2867-37-16-31%2853%2944%2822%282%2962-37%2968-38-17-33%2864-24%284%2951%2945%2823%283%2963-38%2969-46-42%2858%2941%2857%2940%2856%2934%2819-50%2966-46%2930%2852%2915-36%2861-21%2965-27-9-11-47%285%2926%2814-27%297-8-29-28%2847%2910-12-48%286%2939%2825-13-35%2855%2960-20-25%2932%2854%2918-49%2829%2C48%2959%2Fh13%2C21-23%2C26-34%2C36-46%2C50%2C52-54%2C56-59H%2C7-12%2C14-20H2%2C1-6H3%2Ft21-%2C22-%2C23-%2C26%3F%2C27%3F%2C28%3F%2C29-%2C30%2B%2C31%2B%2C32%3F%2C33%2B%2C34%3F%2C36%2B%2C37%2B%2C38%2B%2C39%2B%2C40-%2C41%2B%2C42-%2C43%3F%2C44%3F%2C45%3F%2C46%2B%2C47%2B%2C48-%2C49%3F%2Fm1%2Fs1, 226.442398071289, 3.0, 0.0, 27.4492168426514, , 5.0, 8.0, 77.0, 0.0, 4.0, 0.0, -5.23920011520386, 12.0, 4.65000009536743, 145.0, 1.58800005912781 -InChI%3D1S%2FC13H10Cl2O2%2Fc14-10-1-3-12%2816%298%286-10%295-9-7-11%2815%292-4-13%289%2917%2Fh1-4%2C6-7%2C16-17H%2C5H2, 20.9613990783691, 0.0, 0.0, 1.0489856004715, , 7.0, 2.0, 18.0, 12.0, 0.0, 12.0, 1.02419996261597, 2.0, 2.45000004768372, 27.0, 3.3840000629425
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