path: root/5x_cv/csv/RAT_constitutional.csv

SMILES,nAtomP,nAtom,MLogP,nB,ALogP,LipinksiFailures,naAromAtom,nRotB,XLogP,LipinskiFailures,AMR,nHBDon,ALogp2,nAtomLAC,nAromBond,nAtomLC
InChI%3D1S%2FC8H5N3O4S%2Fc12-4-9-8-10-5%283-16-8%296-1-2-7%2815-6%2911%2813%2914%2Fh1-4H%2C%28H%2C9%2C10%2C12%29, 16.0, 21.0, 1.46000003814697, 17.0, 0.239399999380112, , 10.0, 3.0, 1.51699995994568, 0.0, 22.1271991729736, 1.0, 0.0573123581707478, 0.0, 10.0, 3.0
InChI%3D1S%2FC17H21N3.ClH%2Fc1-19%282%2915-9-5-13%286-10-15%2917%2818%2914-7-11-16%2812-8-14%2920%283%294%3B%2Fh5-12%2C18H%2C1-4H3%3B1H, 16.0, 43.0, 2.89000010490417, 21.0, 0.330000013113022, , 12.0, 4.0, 4.52699995040894, 0.0, 35.1859016418457, 1.0, 0.108900003135204, 0.0, 12.0, 3.0
InChI%3D1S%2FC2H5ClO%2Fc1-4-2-3%2Fh2H2%2C1H3, 0.0, 9.0, 1.46000003814697, 3.0, 0.487399995326996, , 0.0, 1.0, 0.426999986171722, 0.0, 17.6518993377686, 0.0, 0.237558767199516, 0.0, 0.0, 4.0
InChI%3D1S%2FC18H25NO7%2Fc1-3-12-8-11%282%2918%2823%2C10-20%2917%2822%2925-9-13-4-6-19%2824%297-5-14%2815%2813%2919%2926-16%2812%2921%2Fh3-4%2C11%2C14-15%2C20%2C23H%2C5-10H2%2C1-2H3%2Ft11-%2C14%3F%2C15-%2C18-%2C19%3F%2Fm1%2Fs1, 5.0, 51.0, 2.55999994277954, 28.0, -0.875400006771088, , 0.0, 1.0, -1.13999998569489, 0.0, 86.7670974731445, 2.0, 0.766325175762177, 2.0, 0.0, 2.0
InChI%3D1S%2FC6H12N2O3%2Fc1-2-3-8%287-11%294-6%2810%295-9%2Fh2%2C6%2C9-10H%2C1%2C3-5H2, 3.0, 23.0, 1.57000005245209, 10.0, -0.342500001192093, , 0.0, 6.0, -1.04100000858307, 0.0, 41.4679985046387, 2.0, 0.117306247353554, 3.0, 0.0, 11.0
InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh3H%2C1-2H3, 2.0, 12.0, 1.78999996185303, 4.0, 1.8507000207901, , 0.0, 0.0, 1.71300005912781, 0.0, 24.7329006195068, 0.0, 3.42509055137634, 3.0, 0.0, 5.0
InChI%3D1S%2FCH2O3.K%2Fc2-1%283%294%3B%2Fh%28H2%2C2%2C3%2C4%29%3B%2Fq%3B%2B1%2Fp-1, 4.0, 6.0, 1.12999999523163, 3.0, , , 0.0, 0.0, -0.711000025272369, 0.0, , 1.0, , 0.0, 0.0, 4.0
InChI%3D1S%2FC12H10N2O%2Fc15-13-14%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H, 15.0, 25.0, 2.45000004768372, 16.0, -0.113799996674061, , 12.0, 3.0, 4.81099987030029, 0.0, 8.65709972381592, 0.0, 0.0129504399374127, 0.0, 12.0, 3.0
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, 16.0, 23.0, 1.35000002384186, 18.0, -1.28090000152588, , 5.0, 3.0, 0.880999982357025, 0.0, 32.3368988037109, 1.0, 1.64070475101471, 0.0, 5.0, 2.0
InChI%3D1S%2FC16H11NO2%2Fc18-17%2819%2914-9-7-12-5-4-10-2-1-3-11-6-8-13%2814%2916%2812%2915%2810%2911%2Fh1-9%2C15-16H, 19.0, 28.0, 2.89000010490417, 22.0, -0.0465999990701675, , 16.0, 1.0, 6.95699977874756, 1.0, 2.88579988479614, 0.0, 0.00217155995778739, 0.0, 19.0, 3.0
InChI%3D1S%2FC16H14N4O3S%2Fc21-20%2822%2914-6-5-13%2824-14%2915-17-12-4-2-1-3-11%2812%2916%2818-15%2919-7-9-23-10-8-19%2Fh1-6H%2C7-10H2, 19.0, 38.0, 2.33999991416931, 27.0, 0.449499994516373, , 15.0, 3.0, 3.39000010490417, 0.0, 34.0452003479004, 0.0, 0.202050253748894, 0.0, 16.0, 3.0
InChI%3D1S%2FC4H9N3O3%2Fc5-4%289%297%286-10%292-1-3-8%2Fh8H%2C1-3H2%2C%28H2%2C5%2C9%29, 6.0, 19.0, 1.24000000953674, 9.0, -0.402099996805191, , 0.0, 5.0, -0.5, 0.0, 32.0351982116699, 3.0, 0.161684408783913, 3.0, 0.0, 10.0
InChI%3D1S%2FC7H6N6O3%2Fc8-6-10-5%2811-7%289%2912-6%293-1-2-4%2816-3%2913%2814%2915%2Fh1-2H%2C%28H4%2C8%2C9%2C10%2C11%2C12%29, 8.0, 24.0, 1.24000000953674, 17.0, -0.496199995279312, , 5.0, 2.0, 1.74699997901917, 0.0, 27.5818004608154, 5.0, 0.246214434504509, 0.0, 5.0, 2.0
InChI%3D1S%2FC6H6N2O3%2Fc7-4-1-2-6%289%295%283-4%298%2810%2911%2Fh1-3%2C9H%2C7H2, 11.0, 17.0, 1.57000005245209, 11.0, -1.25680005550385, , 6.0, 1.0, 1.54799997806549, 0.0, 9.67249965667725, 2.0, 1.57954621315002, 0.0, 6.0, 2.0
InChI%3D1S%2FC18H23NO6%2Fc1-3-12-8-11%282%2918%2823%2C10-20%2917%2822%2924-9-13-4-6-19-7-5-14%2815%2813%2919%2925-16%2812%2921%2Fh3-4%2C14-15%2C20%2C23H%2C2%2C5-10H2%2C1H3%2Ft14-%2C15%3F%2C18-%2Fm1%2Fs1, 5.0, 48.0, 2.67000007629395, 27.0, 0.235100001096725, , 0.0, 1.0, 0.137999996542931, 0.0, 88.9273986816406, 2.0, 0.0552720092236996, 2.0, 0.0, 2.0
InChI%3D1S%2FC4H8N2O%2Fc7-5-6-3-1-2-4-6%2Fh1-4H2, 3.0, 15.0, 1.57000005245209, 7.0, -0.666599988937378, , 0.0, 1.0, 0.46000000834465, 0.0, 23.9046993255615, 0.0, 0.444355547428131, 0.0, 0.0, 2.0
InChI%3D1S%2FC11H10N4%2Fc1-7-3-2-6-15-10%287%2913-8-4-5-9%2812%2914-11%288%2915%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29, 3.0, 31.0, 2.23000001907349, 17.0, -0.0604000017046928, , 0.0, 0.0, 1.86600005626678, 0.0, 41.2084999084473, 3.0, 0.00364816002547741, 0.0, 5.0, 0.0
InChI%3D1S%2FC6H10N2O%2Fc1-3-5-8%287-9%296-4-2%2Fh3-4H%2C1-2%2C5-6H2, 3.0, 19.0, 1.78999996185303, 8.0, 1.32439994812012, , 0.0, 5.0, 0.954999983310699, 0.0, 38.3759002685547, 0.0, 1.75403535366058, 3.0, 0.0, 9.0
InChI%3D1S%2FC9H8N4O5%2Fc1-5%2814%2910-4-7-11-9%2812-18-7%296-2-3-8%2817-6%2913%2815%2916%2Fh2-3H%2C4H2%2C1H3%2C%28H%2C10%2C14%29, 8.0, 26.0, 1.46000003814697, 19.0, -0.639100015163422, , 5.0, 4.0, 1.18900001049042, 0.0, 24.550199508667, 1.0, 0.408448815345764, 2.0, 10.0, 5.0
InChI%3D1S%2FC12H9NO%2Fc13-8-5-6-10-9-3-1-2-4-11%289%2914-12%2810%297-8%2Fh1-7H%2C13H2, 14.0, 23.0, 2.55999994277954, 16.0, -0.903999984264374, , 12.0, 0.0, 3.03299999237061, 0.0, 5.84119987487793, 1.0, 0.817215979099274, 0.0, 15.0, 0.0
InChI%3D1S%2FC11H10N6O5%2Fc1-5%2818%2912-10-14-9%2815-11%2816-10%2913-6%282%2919%297-3-4-8%2822-7%2917%2820%2921%2Fh3-4H%2C1-2H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%2C18%2C19%29, 20.0, 32.0, 1.46000003814697, 23.0, -0.344099998474121, , 11.0, 4.0, 1.70799994468689, 0.0, 32.3064994812012, 2.0, 0.118404813110828, 2.0, 11.0, 4.0
InChI%3D1S%2FC6H14N2O%2Fc1-5%282%297-8%289%296%283%294%2Fh5-6H%2C1-4H3, 3.0, 23.0, 1.78999996185303, 8.0, -0.654399991035461, , 0.0, 2.0, 1.39400005340576, 0.0, 34.1467018127441, 0.0, 0.428239345550537, 3.0, 0.0, 9.0
InChI%3D1S%2FC5H10ClN3O3%2Fc6-1-2-7-5%2811%299%288-12%293-4-10%2Fh10H%2C1-4H2%2C%28H%2C7%2C11%29, 6.0, 22.0, 1.24000000953674, 11.0, 0.429199993610382, , 0.0, 6.0, -0.291000008583069, 0.0, 43.9767990112305, 2.0, 0.184212639927864, 2.0, 0.0, 12.0
InChI%3D1S%2FC10H9Cl4NO2S%2Fc11-9%2812%2910%2813%2C14%2918-15-7%2816%295-3-1-2-4-6%285%298%2815%2917%2Fh1-2%2C5-6%2C9H%2C3-4H2, 5.0, 27.0, 1.67999994754791, 19.0, 2.72370004653931, , 0.0, 3.0, 2.76999998092651, 0.0, 77.7978973388672, 0.0, 7.41854190826416, 2.0, 0.0, 7.0
InChI%3D1S%2FC10H9N%2Fc11-10-6-5-8-3-1-2-4-9%288%297-10%2Fh1-7H%2C11H2, 11.0, 20.0, 2.45000004768372, 12.0, -0.749899983406067, , 10.0, 0.0, 3.8529999256134, 0.0, 4.22209978103638, 1.0, 0.562350034713745, 0.0, 11.0, 0.0
InChI%3D1S%2FC16H12N2O%2Fc19-15-11-10-12-6-4-5-9-14%2812%2916%2815%2918-17-13-7-2-1-3-8-13%2Fh1-11%2C19H%2Fb18-17%2B, 19.0, 31.0, 2.89000010490417, 21.0, -0.460299998521805, , 16.0, 2.0, 6.59100008010864, 1.0, 2.56459999084473, 1.0, 0.211876094341278, 0.0, 17.0, 2.0
InChI%3D1S%2FC6H14NO4P%2Fc1-9-12%288%2C10-2%297-3-5-11-6-4-7%2Fh3-6H2%2C1-2H3, 5.0, 26.0, 1.46000003814697, 12.0, -0.545499980449677, , 0.0, 3.0, -1.04700005054474, 0.0, 44.0197982788086, 0.0, 0.297570258378983, 0.0, 0.0, 6.0
InChI%3D1S%2FC10H12N4O5%2Fc15-6-5-12-3-4-13%2810%2812%2916%2911-7-8-1-2-9%2819-8%2914%2817%2918%2Fh1-2%2C7%2C15H%2C3-6H2%2Fb11-7-, 14.0, 31.0, 1.57000005245209, 20.0, -1.27649998664856, , 5.0, 5.0, 0.437000006437302, 0.0, 43.4118995666504, 1.0, 1.62945222854614, 2.0, 5.0, 3.0
InChI%3D1S%2FC8H6O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6H, 7.0, 15.0, 2.23000001907349, 10.0, -0.154100000858307, , 6.0, 0.0, 2.64599990844727, 0.0, 1.61909997463226, 0.0, 0.0237468108534813, 0.0, 10.0, 0.0
InChI%3D1S%2FC18H12O6%2Fc1-21-11-7-12-13%288-5-6-22-18%288%2924-12%2917-15%2811%2916%2820%2914-9%2819%293-2-4-10%2814%2923-17%2Fh2-8%2C18-19H%2C1H3, 18.0, 36.0, 2.77999997138977, 28.0, -1.46529996395111, , 12.0, 1.0, 1.72200000286102, 0.0, 35.6242980957031, 1.0, 2.14710402488708, 0.0, 12.0, 2.0
InChI%3D1S%2FC10H13N3O2%2Fc1-13%2812-15%297-3-5-10%2814%299-4-2-6-11-8-9%2Fh2%2C4%2C6%2C8H%2C3%2C5%2C7H2%2C1H3, 8.0, 28.0, 2.00999999046326, 15.0, -0.51690000295639, , 6.0, 6.0, 0.605000019073486, 0.0, 31.8728008270264, 0.0, 0.267185598611832, 4.0, 6.0, 9.0
InChI%3D1S%2FC8H14ClNS2%2Fc1-4-10%285-2%298%2811%2912-6-7%283%299%2Fh3-6H2%2C1-2H3, 3.0, 26.0, 1.89999997615814, 11.0, 3.16650009155273, , 0.0, 6.0, 2.74499988555908, 0.0, 62.7835998535156, 0.0, 10.0267219543457, 3.0, 0.0, 12.0
InChI%3D1S%2FC7H10N2.2ClH%2Fc1-5-2-3-6%288%294-7%285%299%3B%3B%2Fh2-4H%2C8-9H2%2C1H3%3B2%2A1H, 8.0, 23.0, 1.78999996185303, 9.0, -0.857800006866455, , 6.0, 0.0, 1.87199997901917, 0.0, 13.9462995529175, 2.0, 0.735820829868317, 0.0, 6.0, 0.0
InChI%3D1S%2FC20H14N2O10S3.3Na%2Fc23-16-7-5-11-9-12%2833%2824%2C25%2926%2910-18%2835%2830%2C31%2932%2919%2811%2920%2816%2922-21-15-6-8-17%2834%2827%2C28%2929%2914-4-2-1-3-13%2814%2915%3B%3B%3B%2Fh1-10%2C23H%2C%28H%2C24%2C25%2C26%29%28H%2C27%2C28%2C29%29%28H%2C30%2C31%2C32%29%3B%3B%3B%2Fq%3B3%2A%2B1%2Fp-3%2Fb22-21%2B%3B%3B%3B, 35.0, 49.0, 1.67999994754791, 38.0, , , 20.0, 5.0, 1.85800004005432, 1.0, , 1.0, , 0.0, 22.0, 3.0
InChI%3D1S%2FC2H6O%2Fc1-2-3%2Fh3H%2C2H2%2C1H3, 0.0, 9.0, 1.57000005245209, 2.0, -0.107600003480911, , 0.0, 0.0, -0.0759999975562096, 0.0, 12.555100440979, 1.0, 0.0115777598693967, 2.0, 0.0, 3.0
InChI%3D1S%2FC13H14N2.2ClH%2Fc14-12-5-1-10%282-6-12%299-11-3-7-13%2815%298-4-11%3B%3B%2Fh1-8H%2C9%2C14-15H2%3B2%2A1H, 7.0, 33.0, 2.45000004768372, 16.0, -1.04359996318817, , 12.0, 2.0, 4.71500015258789, 0.0, 13.0452003479004, 2.0, 1.08910095691681, 0.0, 12.0, 0.0
InChI%3D1S%2FC32H24N6O14S4.4Na%2Fc33-23-13-21%2853%2841%2C42%2943%299-17-11-25%2855%2847%2C48%2949%2929%2831%2839%2927%2817%2923%2937-35-19-5-1-15%282-6-19%2916-3-7-20%288-4-16%2936-38-30-26%2856%2850%2C51%2952%2912-18-10-22%2854%2844%2C45%2946%2914-24%2834%2928%2818%2932%2830%2940%3B%3B%3B%3B%2Fh1-14%2C39-40H%2C33-34H2%2C%28H%2C41%2C42%2C43%29%28H%2C44%2C45%2C46%29%28H%2C47%2C48%2C49%29%28H%2C50%2C51%2C52%29%3B%3B%3B%3B%2Fq%3B4%2A%2B1%2Fp-4%2Fb37-35-%2C38-36%2B%3B%3B%3B%3B, 56.0, 80.0, 1.89999997615814, 61.0, , , 32.0, 9.0, 1.89999997615814, 1.0, , 4.0, , 0.0, 34.0, 3.0
InChI%3D1S%2FC5H11Cl2N%2Fc1-8%284-2-6%295-3-7%2Fh2-5H2%2C1H3, 0.0, 19.0, 1.67999994754791, 7.0, 1.65050005912781, , 0.0, 4.0, 1.59300005435944, 0.0, 38.6747016906738, 0.0, 2.72415018081665, 2.0, 0.0, 8.0
InChI%3D1S%2FC6H13NO%2Fc1-4-7%285-2%296%283%298%2Fh4-5H2%2C1-3H3, 3.0, 21.0, 1.89999997615814, 7.0, 0.0804999992251396, , 0.0, 3.0, 0.698000013828278, 0.0, 32.8469009399414, 0.0, 0.00648025004193187, 2.0, 0.0, 8.0
InChI%3D1S%2FC8H10O%2Fc1-7%289%298-5-3-2-4-6-8%2Fh2-7%2C9H%2C1H3, 6.0, 19.0, 2.23000001907349, 9.0, -0.459399998188019, , 6.0, 1.0, 2.86899995803833, 0.0, 11.8612003326416, 1.0, 0.211048364639282, 2.0, 6.0, 3.0
InChI%3D1S%2FC2H4Cl2O%2Fc3-1-5-2-4%2Fh1-2H2, 0.0, 9.0, 1.35000002384186, 4.0, 0.924300014972687, , 0.0, 2.0, 0.833999991416931, 0.0, 22.2912998199463, 0.0, 0.854330480098724, 0.0, 0.0, 5.0
InChI%3D1S%2FC12H10N2O%2Fc15-14-12-8-6-11%287-9-12%2913-10-4-2-1-3-5-10%2Fh1-9%2C13H, 15.0, 25.0, 2.45000004768372, 16.0, -0.443699985742569, , 12.0, 3.0, 4.23400020599365, 0.0, 4.74289989471436, 1.0, 0.196869686245918, 0.0, 12.0, 2.0
InChI%3D1S%2FC4H10N2O2%2Fc1-6%285-8%293-2-4-7%2Fh7H%2C2-4H2%2C1H3, 3.0, 18.0, 1.46000003814697, 7.0, -0.736599981784821, , 0.0, 4.0, -0.625999987125397, 0.0, 29.2544002532959, 1.0, 0.542579531669617, 3.0, 0.0, 8.0
InChI%3D1S%2FC6H10N2O3%2Fc1-5%289%293-8%287-11%294-6%282%2910%2Fh3-4H2%2C1-2H3, 3.0, 21.0, 1.57000005245209, 10.0, -1.02520000934601, , 0.0, 5.0, -0.981000006198883, 0.0, 39.3218994140625, 0.0, 1.05103504657745, 3.0, 0.0, 11.0
InChI%3D1S%2FC20H14N2O10S3.3Na%2Fc23-20-18%2835%2830%2C31%2932%2910-11-9-12%2833%2824%2C25%2926%295-6-13%2811%2919%2820%2922-21-16-7-8-17%2834%2827%2C28%2929%2915-4-2-1-3-14%2815%2916%3B%3B%3B%2Fh1-10%2C23H%2C%28H%2C24%2C25%2C26%29%28H%2C27%2C28%2C29%29%28H%2C30%2C31%2C32%29%3B%3B%3B%2Fq%3B3%2A%2B1%2Fp-3%2Fb22-21%2B%3B%3B%3B, 35.0, 49.0, 1.67999994754791, 38.0, , , 20.0, 5.0, 3.14499998092651, 1.0, , 1.0, , 0.0, 22.0, 3.0
InChI%3D1S%2FC5H3Cl3O3%2Fc6-2-1%283%287%298%294%289%2911-5%282%2910%2Fh3-4%2C9H, 5.0, 14.0, 1.35000002384186, 11.0, 1.4213000535965, , 0.0, 1.0, 0.917999982833862, 0.0, 41.2304000854492, 1.0, 2.0200936794281, 0.0, 0.0, 2.0
InChI%3D1S%2FC7H5N3O3S%2Fc8-7-9-4%283-14-7%295-1-2-6%2813-5%2910%2811%2912%2Fh1-3H%2C%28H2%2C8%2C9%29, 8.0, 21.0, 1.46000003814697, 15.0, 0.392899990081787, , 5.0, 2.0, 1.60199999809265, 0.0, 29.1082000732422, 2.0, 0.154370412230492, 0.0, 5.0, 2.0
InChI%3D1S%2FC8H11NO%2Fc1-6-5-7%2810-2%293-4-8%286%299%2Fh3-5H%2C9H2%2C1-2H3, 8.0, 21.0, 2.11999988555908, 10.0, -0.159700006246567, , 6.0, 1.0, 1.43400001525879, 0.0, 17.0400009155273, 1.0, 0.0255040898919106, 0.0, 6.0, 2.0
InChI%3D1S%2FC8H14ClN5%2Fc1-4-10-7-12-6%289%2913-8%2814-7%2911-5%282%293%2Fh5H%2C4H2%2C1-3H3%2C%28H2%2C10%2C11%2C12%2C13%2C14%29, 7.0, 30.0, 1.67999994754791, 14.0, 0.658900022506714, , 0.0, 2.0, 2.18400001525879, 0.0, 54.185001373291, 3.0, 0.434149205684662, 2.0, 0.0, 4.0
InChI%3D1S%2FC6H12N2O3%2Fc1-8%282%297-5%289%293-4-6%2810%2911%2Fh3-4H2%2C1-2H3%2C%28H%2C7%2C9%29%28H%2C10%2C11%29, 4.0, 23.0, 1.57000005245209, 10.0, -0.034000001847744, , 0.0, 4.0, -0.247999995946884, 0.0, 39.0854988098145, 2.0, 0.00115599995478988, 4.0, 0.0, 11.0
InChI%3D1S%2FC6H9N3O3%2Fc1-5-7-4-6%289%2811%2912%298%285%292-3-10%2Fh4%2C10H%2C2-3H2%2C1H3, 2.0, 21.0, 1.46000003814697, 12.0, -0.419200003147125, , 0.0, 3.0, 0.017000000923872, 0.0, 23.6714992523193, 2.0, 0.175728633999825, 2.0, 5.0, 3.0
InChI%3D1S%2FC4H8N2O2%2Fc1-4%287%293-6%282%295-8%2Fh3H2%2C1-2H3, 3.0, 16.0, 1.46000003814697, 7.0, -0.467200011014938, , 0.0, 3.0, -0.628000020980835, 0.0, 29.6861991882324, 0.0, 0.218275845050812, 3.0, 0.0, 8.0
InChI%3D1S%2FC7H16N4O2.HNO2%2Fc1-4-8-7%2812%2911%289-13%296-5-10%282%293%3B2-1-3%2Fh4-6H2%2C1-3H3%2C%28H%2C8%2C12%29%3B%28H%2C2%2C3%29, 6.0, 33.0, 1.24000000953674, 14.0, -1.50559997558594, , 0.0, 6.0, 0.186000004410744, 0.0, 58.3931999206543, 2.0, 2.26683139801025, 2.0, 0.0, 13.0
InChI%3D1S%2FC14H9NO2%2Fc15-8-5-6-11-12%287-8%2914%2817%2910-4-2-1-3-9%2810%2913%2811%2916%2Fh1-7H%2C15H2, 17.0, 26.0, 2.67000007629395, 19.0, -1.2775000333786, , 12.0, 0.0, 2.62199997901917, 0.0, 14.9140996932983, 1.0, 1.63200628757477, 0.0, 12.0, 0.0
InChI%3D1S%2FC4H8N2OS%2Fc7-5-6-1-3-8-4-2-6%2Fh1-4H2, 3.0, 16.0, 1.46000003814697, 8.0, 0.52319997549057, , 0.0, 1.0, 0.714999973773956, 0.0, 35.2994003295898, 0.0, 0.273738235235214, 0.0, 0.0, 2.0
InChI%3D1S%2FC11H7N3O3%2Fc15-14%2816%2911-5-4-9%2817-11%298-7-12-10-3-1-2-6-13%288%2910%2Fh1-7H, 17.0, 24.0, 2.00999999046326, 19.0, -0.1875, , 14.0, 2.0, 2.58500003814697, 0.0, 7.40290021896362, 0.0, 0.03515625, 0.0, 15.0, 3.0
InChI%3D1S%2FC6H12N2O%2Fc1-6-4-2-3-5-8%286%297-9%2Fh6H%2C2-5H2%2C1H3%2Ft6-%2Fm0%2Fs1, 3.0, 21.0, 1.78999996185303, 9.0, -0.965300023555756, , 0.0, 1.0, 1.27799999713898, 0.0, 31.4006996154785, 0.0, 0.931804060935974, 0.0, 0.0, 2.0
InChI%3D1S%2FC12H10Cl2N2%2Fc13-9-5-7%281-3-11%289%2915%298-2-4-12%2816%2910%2814%296-8%2Fh1-6H%2C15-16H2, 14.0, 26.0, 2.33999991416931, 17.0, -0.0111999996006489, , 12.0, 1.0, 2.89199995994568, 0.0, 19.6753997802734, 2.0, 0.000125439997646026, 0.0, 12.0, 0.0
InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H, 6.0, 12.0, 2.11999988555908, 6.0, 0.0, , 6.0, 0.0, 4.06199979782104, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0
InChI%3D1S%2FC11H11N5%2Fc1-6-5-13-7-3-4-8-10%289%287%2914-6%2915-11%2812%2916%288%292%2Fh3-5H%2C1-2H3%2C%28H2%2C12%2C15%29, 14.0, 27.0, 2.11999988555908, 18.0, 0.0723000019788742, , 10.0, 0.0, 2.33800005912781, 0.0, 22.6289005279541, 2.0, 0.00522729009389877, 0.0, 11.0, 0.0
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, 4.0, 36.0, 1.57000005245209, 20.0, -4.2487998008728, , 0.0, 3.0, -0.907000005245209, 0.0, 55.6195983886719, 4.0, 18.0523014068604, 0.0, 0.0, 3.0
InChI%3D1S%2FC12H7Cl2NO3%2Fc13-8-1-6-12%2811%2814%297-8%2918-10-4-2-9%283-5-10%2915%2816%2917%2Fh1-7H, 16.0, 25.0, 2.11999988555908, 19.0, 1.2878999710083, , 12.0, 3.0, 4.76300001144409, 0.0, 15.7361001968384, 0.0, 1.65868639945984, 0.0, 12.0, 2.0
InChI%3D1S%2FC6H4N4O3S%2Fc7-6-9-8-5%2814-6%293-1-2-4%2813-3%2910%2811%2912%2Fh1-2H%2C%28H2%2C7%2C9%29, 8.0, 20.0, 1.24000000953674, 15.0, 0.143500000238419, , 5.0, 2.0, 1.38399994373322, 0.0, 27.4755992889404, 3.0, 0.0205922499299049, 0.0, 5.0, 2.0
InChI%3D1S%2FC5H11N3O2%2Fc1-4%282%293-8%287-10%295%286%299%2Fh4H%2C3H2%2C1-2H3%2C%28H2%2C6%2C9%29, 6.0, 21.0, 1.46000003814697, 9.0, 0.907500028610229, , 0.0, 4.0, 0.929000020027161, 0.0, 36.1146011352539, 2.0, 0.823556244373322, 3.0, 0.0, 10.0
InChI%3D1S%2FC16H12ClNO2%2Fc1-2-16%2820-15%2818%2919%2C12-6-4-3-5-7-12%2913-8-10-14%2817%2911-9-13%2Fh1%2C3-11H%2C%28H2%2C18%2C19%29, 6.0, 32.0, 2.77999997138977, 21.0, 1.69350004196167, , 12.0, 4.0, 5.83400011062622, 1.0, 25.5104999542236, 2.0, 2.86794233322144, 3.0, 12.0, 7.0
InChI%3D1S%2FC14H16N2.2ClH%2Fc1-9-7-11%283-5-13%289%2915%2912-4-6-14%2816%2910%282%298-12%3B%3B%2Fh3-8H%2C15-16H2%2C1-2H3%3B2%2A1H, 14.0, 36.0, 2.55999994277954, 17.0, -0.215800002217293, , 12.0, 1.0, 4.36999988555908, 0.0, 19.4484004974365, 2.0, 0.0465696416795254, 0.0, 12.0, 0.0
InChI%3D1S%2FC5H10N2O2%2Fc1-2-3-7%286-9%294-5-8%2Fh2%2C8H%2C1%2C3-5H2, 3.0, 19.0, 1.57000005245209, 8.0, 0.168200001120567, , 0.0, 5.0, -0.368999987840652, 0.0, 35.505500793457, 1.0, 0.0282912403345108, 3.0, 0.0, 9.0
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, 6.0, 33.0, 1.24000000953674, 18.0, -1.73989999294281, , 0.0, 4.0, -2.33699989318848, 0.0, 56.0966987609863, 5.0, 3.02725195884705, 0.0, 0.0, 7.0
InChI%3D1S%2FC12H26N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-14%282%2913-15%2Fh3-12H2%2C1-2H3, 3.0, 41.0, 2.45000004768372, 14.0, -2.54060006141663, , 0.0, 11.0, 5.05800008773804, 2.0, 51.1691017150879, 0.0, 6.45464849472046, 11.0, 0.0, 15.0
InChI%3D1S%2FC20H16O8%2Fc1-23-10-7-11-13%288-4-5-26-20%288%2927-11%2918-15%2810%2916%2822%2914-9%2821%296-12%2824-2%2917%2825-3%2919%2814%2928-18%2Fh4-8%2C20-21H%2C1-3H3, 20.0, 44.0, 2.77999997138977, 32.0, -1.56889998912811, , 12.0, 3.0, 0.833999991416931, 0.0, 50.2559013366699, 1.0, 2.46144723892212, 0.0, 12.0, 2.0
InChI%3D1S%2FC12H11N3.C2H4O2%2Fc1-7-12-8-4-2-3-5-9%288%2915-10%2812%296-11%2813%2914-7%3B1-2%283%294%2Fh2-6%2C15H%2C1H3%2C%28H2%2C13%2C14%29%3B1H3%2C%28H%2C3%2C4%29, 7.0, 35.0, 2.45000004768372, 20.0, -0.670799970626831, , 6.0, 0.0, , , 35.1880989074707, 3.0, 0.449972629547119, 2.0, 10.0, 4.0
InChI%3D1S%2FC7H7NO%2Fc1-6-4-2-3-5-7%286%298-9%2Fh2-5H%2C1H3, 8.0, 16.0, 2.00999999046326, 9.0, 0.61870002746582, , 6.0, 1.0, 2.65400004386902, 0.0, 6.94500017166138, 0.0, 0.382789701223373, 0.0, 6.0, 2.0
InChI%3D1S%2FC4H9NO2%2Fc1-4%282%293-7-5-6%2Fh4H%2C3H2%2C1-2H3, 3.0, 16.0, 1.57000005245209, 6.0, -1.46490001678467, , 0.0, 3.0, 1.92999994754791, 0.0, 25.7915000915527, 0.0, 2.14593195915222, 3.0, 0.0, 7.0
InChI%3D1S%2FC19H16ClNO4%2Fc1-11-15%2810-18%2822%2923%2916-9-14%2825-2%297-8-17%2816%2921%2811%2919%2824%2912-3-5-13%2820%296-4-12%2Fh3-9H%2C10H2%2C1-2H3%2C%28H%2C22%2C23%29, 18.0, 41.0, 2.89000010490417, 27.0, 0.292199999094009, , 15.0, 5.0, 3.75799989700317, 0.0, 37.8739013671875, 1.0, 0.0853808373212814, 2.0, 16.0, 4.0
InChI%3D1S%2FC9H13ClN6%2Fc1-4-12-7-13-6%2810%2914-8%2815-7%2916-9%282%2C3%295-11%2Fh4H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29, 4.0, 33.0, 1.67999994754791, 16.0, 1.18340003490448, , 0.0, 3.0, 0.544000029563904, 0.0, 60.3378982543945, 4.0, 1.40043556690216, 3.0, 0.0, 6.0
InChI%3D1S%2FC3H4O2%2Fc4-3-1-2-5-3%2Fh1-2H2, 3.0, 9.0, 1.57000005245209, 5.0, -0.0447000004351139, , 0.0, 0.0, -0.138999998569489, 0.0, 15.5530996322632, 0.0, 0.00199808995239437, 0.0, 0.0, 0.0
InChI%3D1S%2FC10H13N3O%2Fc14-12-13-7-2-1-5-10%2813%299-4-3-6-11-8-9%2Fh3-4%2C6%2C8%2C10H%2C1-2%2C5%2C7H2, 6.0, 27.0, 2.11999988555908, 15.0, -1.01660001277924, , 6.0, 2.0, 1.73399996757507, 0.0, 25.5020008087158, 0.0, 1.03347551822662, 0.0, 6.0, 2.0
InChI%3D1S%2FC10H8N4%2Fc11-8-5-4-7-10%2813-8%2914-6-2-1-3-9%2814%2912-7%2Fh1-6H%2C%28H2%2C11%2C13%29, 3.0, 28.0, 2.11999988555908, 16.0, -1.02540004253387, , 0.0, 0.0, 1.56900000572205, 0.0, 34.0446014404297, 3.0, 1.05144512653351, 0.0, 5.0, 0.0
InChI%3D1S%2FC2H5NO2%2Fc3-1-2%284%295%2Fh1%2C3H2%2C%28H%2C4%2C5%29, 3.0, 10.0, 1.35000002384186, 4.0, -1.19149994850159, , 0.0, 1.0, -3.34999990463257, 0.0, 16.0034008026123, 2.0, 1.41967225074768, 2.0, 0.0, 5.0
InChI%3D1S%2FC8H11N3%2Fc1-11%282%2910-9-8-6-4-3-5-7-8%2Fh3-7H%2C1-2H3%2Fb10-9%2B, 9.0, 22.0, 2.00999999046326, 11.0, 0.114100001752377, , 6.0, 2.0, 2.15000009536743, 0.0, 18.6075992584229, 0.0, 0.0130188101902604, 0.0, 6.0, 5.0
InChI%3D1S%2FC9H17NO2%2Fc10-7-9%286-8%2811%2912%294-2-1-3-5-9%2Fh1-7%2C10H2%2C%28H%2C11%2C12%29, 3.0, 29.0, 2.11999988555908, 12.0, -2.05229997634888, , 0.0, 3.0, 1.39100003242493, 0.0, 41.7888984680176, 2.0, 4.21193552017212, 2.0, 0.0, 4.0
InChI%3D1S%2FC5H12N2O3%2Fc1-5%289%294-7%286-10%292-3-8%2Fh5%2C8-9H%2C2-4H2%2C1H3, 3.0, 22.0, 1.46000003814697, 9.0, -0.998700022697449, , 0.0, 5.0, -1.23300004005432, 0.0, 37.2195014953613, 2.0, 0.997401714324951, 3.0, 0.0, 10.0
InChI%3D1S%2FC18H25NO6%2Fc1-3-12-8-11%282%2918%2823%2C10-20%2917%2822%2924-9-13-4-6-19-7-5-14%2815%2813%2919%2925-16%2812%2921%2Fh3-4%2C11%2C14-15%2C20%2C23H%2C5-10H2%2C1-2H3%2Ft11-%2C14%3F%2C15-%2C18-%2Fm1%2Fs1, 5.0, 50.0, 2.67000007629395, 27.0, -0.278400003910065, , 0.0, 1.0, 0.5, 0.0, 88.6892013549805, 2.0, 0.0775065571069717, 2.0, 0.0, 2.0
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, 7.0, 37.0, 2.23000001907349, 19.0, 0.463800013065338, , 6.0, 8.0, 0.514999985694885, 0.0, 52.6076011657715, 2.0, 0.215110436081886, 3.0, 6.0, 7.0
InChI%3D1S%2FC5H10N2O3%2Fc1-5%289%294-7%286-10%292-3-8%2Fh8H%2C2-4H2%2C1H3, 3.0, 20.0, 1.46000003814697, 9.0, -1.00660002231598, , 0.0, 5.0, -1.33700001239777, 0.0, 35.9785003662109, 1.0, 1.01324355602264, 3.0, 0.0, 10.0
InChI%3D1S%2FC9H8N4O2S%2Fc1-13%2812-15%299%2814%2911-8-10-6-4-2-3-5-7%286%2916-8%2Fh2-5H%2C1H3%2C%28H%2C10%2C11%2C14%29, 15.0, 24.0, 1.67999994754791, 17.0, 1.01590001583099, , 9.0, 3.0, 1.67499995231628, 0.0, 30.6247997283936, 2.0, 1.03205275535583, 0.0, 10.0, 7.0
InChI%3D1S%2FC3H6O%2Fc1-3-2-4-3%2Fh3H%2C2H2%2C1H3, 0.0, 10.0, 1.67999994754791, 4.0, -0.141599997878075, , 0.0, 0.0, 0.270000010728836, 0.0, 15.6279001235962, 0.0, 0.0200505591928959, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H4Cl4O2%2Fc13-5-1-9-10%282-6%285%2914%2918-12-4-8%2816%297%2815%293-11%2812%2917-9%2Fh1-4H, 14.0, 22.0, 2.11999988555908, 20.0, 2.66899991035461, , 12.0, 0.0, 4.15999984741211, 0.0, 25.7005996704102, 0.0, 7.12356090545654, 0.0, 12.0, 0.0
InChI%3D1S%2FC15H18N4O%2Fc1-3-18%284-2%2915-7-5-13%286-8-15%2916-17-14-9-11-19%2820%2912-10-14%2Fh5-12H%2C3-4H2%2C1-2H3%2Fb17-16%2B, 16.0, 38.0, 2.55999994277954, 21.0, 0.695299983024597, , 12.0, 5.0, 3.86500000953674, 0.0, 24.3218994140625, 0.0, 0.483442097902298, 2.0, 12.0, 5.0
InChI%3D1S%2FC6H6N2O3%2Fc7-5-2-1-4%288%2810%2911%293-6%285%299%2Fh1-3%2C9H%2C7H2, 11.0, 17.0, 1.57000005245209, 11.0, -1.25680005550385, , 6.0, 1.0, 1.11899995803833, 0.0, 9.67249965667725, 2.0, 1.57954621315002, 0.0, 6.0, 3.0
InChI%3D1S%2FC26H29NO.C6H8O7%2Fc1-4-25%2821-11-7-5-8-12-21%2926%2822-13-9-6-10-14-22%2923-15-17-24%2818-16-23%2928-20-19-27%282%293%3B7-3%288%291-6%2813%2C5%2811%2912%292-4%289%2910%2Fh5-18H%2C4%2C19-20H2%2C1-3H3%3B13H%2C1-2H2%2C%28H%2C7%2C8%29%28H%2C9%2C10%29%28H%2C11%2C12%29, 21.0, 78.0, 3.99000000953674, 42.0, -0.924600005149841, , 18.0, 13.0, 8.50899982452393, 2.0, 79.1876983642578, 4.0, 0.854885160923004, 5.0, 18.0, 13.0
InChI%3D1S%2FC37H36N2O9S3.2Na%2Fc1-3-38%2825-27-7-5-9-35%2823-27%2950%2843%2C44%2945%2932-17-11-29%2812-18-32%2937%2831-15-21-34%2822-16-31%2949%2840%2C41%2942%2930-13-19-33%2820-14-30%2939%284-2%2926-28-8-6-10-36%2824-28%2951%2846%2C47%2948%3B%3B%2Fh5-24H%2C3-4%2C25-26H2%2C1-2H3%2C%28H2-%2C40%2C41%2C42%2C43%2C44%2C45%2C46%2C47%2C48%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2, 25.0, 87.0, 3.76999998092651, 55.0, , , 24.0, 12.0, 5.63899993896484, 2.0, , 0.0, , 2.0, 24.0, 4.0
InChI%3D1S%2FC5H12N2S%2Fc1-3-6-5%288%297-4-2%2Fh3-4H2%2C1-2H3%2C%28H2%2C6%2C7%2C8%29, 3.0, 20.0, 1.67999994754791, 7.0, 1.03400003910065, , 0.0, 3.0, 1.17799997329712, 0.0, 37.1855010986328, 1.0, 1.06915605068207, 2.0, 0.0, 8.0
InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2, 0.0, 5.0, 1.35000002384186, 2.0, 1.07290005683899, , 0.0, 0.0, 1.51900005340576, 0.0, 16.4382991790771, 0.0, 1.15111446380615, 0.0, 0.0, 3.0
InChI%3D1S%2FC11H24N2O%2Fc1-3-4-5-6-7-8-9-10-11-13%282%2912-14%2Fh3-11H2%2C1-2H3, 3.0, 38.0, 2.33999991416931, 13.0, -2.2525999546051, , 0.0, 10.0, 4.48899984359741, 0.0, 48.2574996948242, 0.0, 5.07420682907104, 10.0, 0.0, 14.0
InChI%3D1S%2FC13H14O5%2Fc1-5-7%283%2918-4-8-9%285%296%282%2911%2814%2910%2812%288%2915%2913%2816%2917%2Fh4-5%2C7%2C15H%2C1-3H3%2C%28H%2C16%2C17%29%2Ft5-%2C7%3F%2Fm0%2Fs1, 13.0, 32.0, 2.33999991416931, 19.0, -0.344500005245209, , 0.0, 1.0, 1.62000000476837, 0.0, 64.4410018920898, 2.0, 0.118680253624916, 0.0, 0.0, 2.0
InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2, 0.0, 8.0, 1.46000003814697, 3.0, 1.51180005073547, , 0.0, 1.0, 1.74000000953674, 0.0, 20.6555995941162, 0.0, 2.28553915023804, 2.0, 0.0, 4.0
InChI%3D1S%2FC3H5Br2Cl%2Fc4-1-3%285%292-6%2Fh3H%2C1-2H2, 0.0, 11.0, 1.46000003814697, 5.0, 2.49469995498657, , 0.0, 2.0, 3.0550000667572, 0.0, 35.636100769043, 0.0, 6.2235279083252, 3.0, 0.0, 6.0
InChI%3D1S%2FC6H6N4O4%2Fc7-6%2811%299-8-3-4-1-2-5%2814-4%2910%2812%2913%2Fh1-3H%2C%28H3%2C7%2C9%2C11%29%2Fb8-3-, 14.0, 20.0, 1.24000000953674, 14.0, -0.309399992227554, , 5.0, 4.0, 2.30399990081787, 0.0, 23.0333995819092, 3.0, 0.0957283601164818, 0.0, 5.0, 6.0
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, 5.0, 35.0, 1.78999996185303, 20.0, -2.47090005874634, , 0.0, 3.0, -1.29999995231628, 0.0, 64.4886016845703, 2.0, 6.1053466796875, 3.0, 0.0, 3.0
InChI%3D1S%2FC7H8N2O3%2Fc1-12-7-3-2-5%289%2810%2911%294-6%287%298%2Fh2-4H%2C8H2%2C1H3, 11.0, 20.0, 1.67999994754791, 12.0, -0.848299980163574, , 6.0, 2.0, 1.20899999141693, 0.0, 14.4237003326416, 1.0, 0.719612896442413, 0.0, 6.0, 2.0
InChI%3D1S%2FC14H15N3O2%2Fc1-14%282%299-7-8%283-4-11%289%2915-13%2814%2919%2910-5-6-12%2818%2917-16-10%2Fh3-4%2C7H%2C5-6H2%2C1-2H3%2C%28H%2C15%2C19%29%28H%2C17%2C18%29, 14.0, 34.0, 2.45000004768372, 21.0, 0.714999973773956, , 6.0, 1.0, 2.60400009155273, 0.0, 46.2789993286133, 2.0, 0.511224985122681, 0.0, 6.0, 0.0
InChI%3D1S%2FCHBr3%2Fc2-1%283%294%2Fh1H, 0.0, 5.0, 1.24000000953674, 3.0, 2.228600025177, , 0.0, 0.0, 3.08800005912781, 0.0, 29.7896995544434, 0.0, 4.96665811538696, 0.0, 0.0, 4.0
InChI%3D1S%2FC3H9O3P%2Fc1-5-7%283%2C4%296-2%2Fh1-3H3, 4.0, 16.0, 1.35000002384186, 6.0, -0.120600000023842, , 0.0, 2.0, -0.214000001549721, 0.0, 26.142599105835, 0.0, 0.0145443603396416, 0.0, 0.0, 7.0
InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-4-10-14%2812%2911%286-3-9%295-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29, 5.0, 29.0, 1.46000003814697, 14.0, 0.0841000005602837, , 0.0, 5.0, 0.834999978542328, 0.0, 55.7243003845215, 1.0, 0.0070728100836277, 2.0, 0.0, 4.0
InChI%3D1S%2FC6H12Cl3O4P%2Fc7-1-4-11-14%2810%2C12-5-2-8%2913-6-3-9%2Fh1-6H2, 5.0, 26.0, 1.24000000953674, 13.0, 2.20379996299744, , 0.0, 9.0, 1.60500001907349, 0.0, 56.1287002563477, 0.0, 4.85673427581787, 2.0, 0.0, 14.0
InChI%3D1S%2FHI.K%2Fh1H%3B%2Fq%3B%2B1%2Fp-1, 0.0, 2.0, 1.24000000953674, 0.0, , , 0.0, 0.0, 1.04999995231628, 0.0, , 0.0, , 0.0, 0.0, 0.0
InChI%3D1S%2FC4H9NO%2Fc1-3-4%282%295-6%2Fh6H%2C3H2%2C1-2H3, 3.0, 15.0, 1.67999994754791, 5.0, -0.125900000333786, , 0.0, 1.0, 0.680999994277954, 0.0, 24.7532005310059, 1.0, 0.0158508103340864, 4.0, 0.0, 6.0
InChI%3D1S%2FC13H9NO2%2Fc15-14%2816%2911-5-6-13-10%288-11%297-9-3-1-2-4-12%289%2913%2Fh1-6%2C8H%2C7H2, 15.0, 25.0, 2.55999994277954, 18.0, 0.409599989652634, , 12.0, 1.0, 5.86100006103516, 1.0, 7.48680019378662, 0.0, 0.16777215898037, 0.0, 12.0, 3.0
InChI%3D1S%2FC8H11NO%2Fc1-6-3-4-8%2810-2%297%289%295-6%2Fh3-5H%2C9H2%2C1-2H3, 8.0, 21.0, 2.11999988555908, 10.0, -0.159700006246567, , 6.0, 1.0, 1.64499998092651, 0.0, 17.0400009155273, 1.0, 0.0255040898919106, 0.0, 6.0, 2.0
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, 10.0, 26.0, 2.23000001907349, 13.0, 0.126900002360344, , 6.0, 3.0, 2.60800004005432, 0.0, 25.5104007720947, 1.0, 0.0161036103963852, 2.0, 6.0, 4.0
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, 7.0, 89.0, 4.32000017166138, 48.0, 0.868900001049042, , 6.0, 13.0, 5.7039999961853, 2.0, 146.226898193359, 2.0, 0.754987180233002, 4.0, 6.0, 9.0
InChI%3D1S%2FC5H12O%2Fc1-5%282%2C3%296-4%2Fh1-4H3, 0.0, 18.0, 1.89999997615814, 5.0, 0.981800019741058, , 0.0, 1.0, 1.32000005245209, 0.0, 26.8162994384766, 0.0, 0.963931262493134, 0.0, 0.0, 6.0
InChI%3D1S%2FC5H11N3O3%2Fc1-2-6-5%2810%298%287-11%293-4-9%2Fh9H%2C2-4H2%2C1H3%2C%28H%2C6%2C10%29, 6.0, 22.0, 1.35000002384186, 10.0, 0.0143999997526407, , 0.0, 5.0, -0.633000016212463, 0.0, 38.9272994995117, 2.0, 0.000207360004424118, 2.0, 0.0, 11.0
InChI%3D1S%2FC16H16N4O4S%2Fc21-9-7-19%288-10-22%2916-11-3-1-2-4-12%2811%2917-15%2818-16%2913-5-6-14%2825-13%2920%2823%2924%2Fh1-6%2C21-22H%2C7-10H2, 19.0, 41.0, 2.23000001907349, 27.0, -0.31700000166893, , 15.0, 7.0, 2.37199997901917, 0.0, 37.5553016662598, 2.0, 0.100488997995853, 2.0, 16.0, 7.0
InChI%3D1S%2FC17H20N2O%2Fc1-18%282%2915-9-5-13%286-10-15%2917%2820%2914-7-11-16%2812-8-14%2919%283%294%2Fh5-12H%2C1-4H3, 16.0, 40.0, 3.0, 21.0, 0.171800002455711, , 12.0, 4.0, 3.60899996757507, 0.0, 33.9287986755371, 0.0, 0.0295152403414249, 0.0, 12.0, 3.0
InChI%3D1S%2FC4H8O%2Fc1-2-4-5-3-1%2Fh1-4H2, 0.0, 13.0, 1.78999996185303, 5.0, -0.706900000572205, , 0.0, 0.0, 0.526000022888184, 0.0, 16.86669921875, 0.0, 0.499707609415054, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H%2Ft1-%2C2-%2C3-%2C4%3F%2C5%3F%2C6%2B%2Fm1%2Fs1, 0.0, 18.0, 1.46000003814697, 12.0, 4.16340017318726, , 0.0, 0.0, 3.83400011062622, 0.0, 54.0810012817383, 0.0, 17.3339004516602, 0.0, 0.0, 0.0
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, 7.0, 46.0, 3.44000005722046, 25.0, 0.604099988937378, , 6.0, 0.0, 4.66699981689453, 0.0, 60.8055992126465, 2.0, 0.364936798810959, 2.0, 6.0, 2.0
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, 7.0, 38.0, 2.45000004768372, 17.0, -0.794900000095367, , 6.0, 5.0, 1.17299997806549, 0.0, 43.3166007995605, 4.0, 0.631866037845612, 2.0, 6.0, 8.0
InChI%3D1S%2FC7H10N6O3%2Fc1-11-4-8-6%2812%282%299-15%295%2811%297%2814%2913%283%2910-16%2Fh4H%2C1-3H3, 5.0, 26.0, 1.24000000953674, 16.0, -0.0309999994933605, , 0.0, 5.0, -0.688000023365021, 0.0, 42.2438011169434, 1.0, 0.000960999983362854, 0.0, 5.0, 6.0
InChI%3D1S%2FC3H5ClO%2Fc4-1-3-2-5-3%2Fh3H%2C1-2H2, 0.0, 10.0, 1.57000005245209, 5.0, 0.563000023365021, , 0.0, 1.0, 0.611999988555908, 0.0, 20.056999206543, 0.0, 0.316969007253647, 0.0, 0.0, 2.0
InChI%3D1S%2FC4H10N2S%2Fc1-5-4%287%296%282%293%2Fh1-3H3%2C%28H%2C5%2C7%29, 3.0, 17.0, 1.57000005245209, 6.0, 0.523400008678436, , 0.0, 1.0, 1.06099998950958, 0.0, 34.2011985778809, 0.0, 0.273947566747665, 0.0, 0.0, 7.0
InChI%3D1S%2FC20H18ClNO6%2Fc1-10-7-12-14%2821%299-13%2817%2823%2916%2812%2920%2827%2928-10%2918%2824%2922-15%2819%2825%2926%298-11-5-3-2-4-6-11%2Fh2-6%2C9-10%2C15%2C23H%2C7-8H2%2C1H3%2C%28H%2C22%2C24%29%28H%2C25%2C26%29%2Ft10-%2C15%2B%2Fm1%2Fs1, 13.0, 46.0, 2.77999997138977, 30.0, -0.159899994730949, , 12.0, 5.0, 4.59299993515015, 1.0, 52.5177993774414, 3.0, 0.0255680102854967, 3.0, 12.0, 8.0
InChI%3D1S%2FC3H4N2O3%2Fc6-3-5%284-7%291-2-8-3%2Fh1-2H2, 6.0, 12.0, 1.24000000953674, 8.0, 0.336699992418289, , 0.0, 1.0, -0.323000013828278, 0.0, 24.3743000030518, 0.0, 0.113366886973381, 0.0, 0.0, 2.0
InChI%3D1S%2FC11H17N3O4%2Fc1-12-10-3-2-9%288-11%2810%2914%2817%2918%2913%284-6-15%295-7-16%2Fh2-3%2C8%2C12%2C15-16H%2C4-7H2%2C1H3, 11.0, 35.0, 1.89999997615814, 18.0, -1.2257000207901, , 6.0, 7.0, 1.08200001716614, 0.0, 38.7584991455078, 3.0, 1.50234043598175, 2.0, 6.0, 7.0
InChI%3D1S%2FC4H9N5O3%2Fc1-2-3-8%287-10%294%285%296-9%2811%2912%2Fh2-3H2%2C1H3%2C%28H2%2C5%2C6%29, 9.0, 21.0, 1.01999998092651, 11.0, -0.343699991703033, , 0.0, 6.0, 1.25399994850159, 0.0, 33.7650985717773, 2.0, 0.118129692971706, 3.0, 0.0, 12.0
InChI%3D1S%2FC21H33NO7%2Fc1-7-13%282%2918%2823%2929-16-9-11-22-10-8-15%2817%2816%2922%2912-28-19%2824%2921%2826%2C14%283%2927-6%2920%284%2C5%2925%2Fh7-8%2C14%2C16-17%2C25-26H%2C9-12H2%2C1-6H3%2Ft14-%2C16-%2C17%3F%2C21%2B%2Fm0%2Fs1, 5.0, 62.0, 2.89000010490417, 30.0, 0.440600007772446, , 0.0, 10.0, 0.513999998569489, 0.0, 106.569602966309, 2.0, 0.19412836432457, 5.0, 0.0, 14.0
InChI%3D1S%2FC9H18N6O6%2Fc16-1-13%282-17%297-10-8%2814%283-18%294-19%2912-9%2811-7%2915%285-20%296-21%2Fh16-21H%2C1-6H2, 9.0, 39.0, 1.12999999523163, 21.0, -2.68919992446899, , 6.0, 9.0, -3.1470000743866, 2.0, 49.4850006103516, 6.0, 7.2317967414856, 0.0, 6.0, 5.0
InChI%3D1S%2FC37H30N4O10S3.2Na%2Fc1-22-4-13-30%2814-5-22%2954%2849%2C50%2951-29-11-9-28%2810-12-29%2938-39-32-15-6-25%2818-23%2832%292%2926-7-16-33%2824%283%2919-26%2940-41-37-34%2842%2917-8-27-20-31%2852%2843%2C44%2945%2921-35%2836%2827%2937%2953%2846%2C47%2948%3B%3B%2Fh4-21%2C42H%2C1-3H3%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb39-38%2B%2C41-40%2B%3B%3B, 51.0, 84.0, 3.44000005722046, 59.0, , , 34.0, 10.0, 8.72999954223633, 2.0, , 1.0, , 0.0, 35.0, 4.0
InChI%3D1S%2FC16H19ClN4O2S%2Fc1-10-4-3-5-12%2811%2810%292%2919-14-8-13%2817%2920-16%2821-14%2924-9-15%2823%2918-6-7-22%2Fh3-5%2C8%2C22H%2C6-7%2C9H2%2C1-2H3%2C%28H%2C18%2C23%29%28H%2C19%2C20%2C21%29, 9.0, 47.0, 2.33999991416931, 25.0, 1.45200002193451, , 6.0, 6.0, 2.47300004959106, 0.0, 72.8536987304688, 4.0, 2.10830402374268, 2.0, 6.0, 8.0
InChI%3D1S%2FC6H14N2O%2Fc1-3-5-8%287-9%296-4-2%2Fh3-6H2%2C1-2H3, 3.0, 23.0, 1.78999996185303, 8.0, -0.564000010490417, , 0.0, 5.0, 1.28699994087219, 0.0, 35.7020988464355, 0.0, 0.31809601187706, 3.0, 0.0, 9.0
InChI%3D1S%2FC3H6N6%2Fc4-1-7-2%285%299-3%286%298-1%2Fh%28H6%2C4%2C5%2C6%2C7%2C8%2C9%29, 9.0, 15.0, 1.12999999523163, 9.0, 0.125400006771088, , 0.0, 0.0, 1.6710000038147, 1.0, 26.099100112915, 6.0, 0.0157251600176096, 0.0, 0.0, 0.0
InChI%3D1S%2FC2H4O%2Fc1-2-3%2Fh2H%2C1H3, 1.0, 7.0, 1.57000005245209, 2.0, -0.182500004768372, , 0.0, 0.0, 0.333999991416931, 0.0, 11.7182998657227, 0.0, 0.033306248486042, 2.0, 0.0, 3.0
InChI%3D1S%2FC4H8N2O2%2Fc7-5-6-1-3-8-4-2-6%2Fh1-4H2, 3.0, 16.0, 1.46000003814697, 8.0, -0.221499994397163, , 0.0, 1.0, -0.446000009775162, 0.0, 29.125, 0.0, 0.0490622483193874, 0.0, 0.0, 2.0
InChI%3D1S%2FCH2ClF%2Fc2-1-3%2Fh1H2, 0.0, 5.0, 1.35000002384186, 2.0, 0.774999976158142, , 0.0, 0.0, 1.38199996948242, 0.0, 11.5198001861572, 0.0, 0.600624978542328, 0.0, 0.0, 3.0
InChI%3D1S%2FC11H14N2O4%2Fc1-8%282%2916-9-6-4-5-7-10%289%2917-11%2814%2913%283%2912-15%2Fh4-8H%2C1-3H3, 13.0, 31.0, 2.00999999046326, 17.0, 0.313899993896484, , 6.0, 6.0, 2.65799999237061, 0.0, 37.4609985351562, 0.0, 0.0985332131385803, 0.0, 6.0, 7.0
InChI%3D1S%2FC14H18ClNO4S%2Fc1-9-5-10%282%298-16%287-9%2921%2819%2C20%2911-3-4-13%2815%2912%286-11%2914%2817%2918%2Fh3-4%2C6%2C9-10H%2C5%2C7-8H2%2C1-2H3%2C%28H%2C17%2C18%29%2Ft9-%2C10%2B, 13.0, 39.0, 2.23000001907349, 22.0, -0.0795999988913536, , 6.0, 3.0, 2.29999995231628, 0.0, 55.3368988037109, 1.0, 0.00633616000413895, 0.0, 6.0, 2.0
InChI%3D1S%2FC7H7NO2%2Fc1-6-4-2-3-5-7%286%298%289%2910%2Fh2-5H%2C1H3, 9.0, 17.0, 1.89999997615814, 10.0, 0.595399975776672, , 6.0, 1.0, 3.00600004196167, 0.0, 8.38790035247803, 0.0, 0.354501157999039, 0.0, 6.0, 3.0
InChI%3D1S%2FC2H2Cl2O2%2Fc3-1%284%292%285%296%2Fh1H%2C%28H%2C5%2C6%29, 3.0, 8.0, 1.24000000953674, 5.0, 0.965200006961823, , 0.0, 1.0, 0.570999979972839, 0.0, 22.619499206543, 1.0, 0.931611061096191, 2.0, 0.0, 6.0
InChI%3D1S%2FC10H14N2O4S%2Fc1-9-3-5-10%286-4-9%2917%2814%2C15%2916-8-7-12%282%2911-13%2Fh3-6H%2C7-8H2%2C1-2H3, 10.0, 31.0, 1.78999996185303, 17.0, 0.260899990797043, , 6.0, 6.0, 1.03199994564056, 0.0, 39.2720985412598, 0.0, 0.0680688098073006, 2.0, 6.0, 10.0
InChI%3D1S%2FC12H12N2O3.Na%2Fc1-2-12%288-6-4-3-5-7-8%299%2815%2913-11%2817%2914-10%2812%2916%3B%2Fh3-7H%2C2H2%2C1H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29%3B%2Fq%3B%2B1%2Fp-1, 8.0, 29.0, 2.11999988555908, 18.0, , , 6.0, 2.0, 3.76099991798401, 0.0, , 1.0, , 2.0, 6.0, 2.0
InChI%3D1S%2FC5H10N2O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H2, 3.0, 18.0, 1.67999994754791, 8.0, -0.954599976539612, , 0.0, 1.0, 0.818000018596649, 0.0, 26.8162994384766, 0.0, 0.911261141300201, 0.0, 0.0, 2.0
InChI%3D1S%2FC21H32O3%2Fc1-19-11-13%2812-22%2918%2823%2910-14%2819%294-5-15-16%2819%296-8-20%282%2917%2815%297-9-21%2820%2C3%2924%2Fh12%2C14-17%2C22%2C24H%2C4-11H2%2C1-3H3%2Ft14-%2C15%3F%2C16-%2C17-%2C19%3F%2C20%3F%2C21-%2Fm0%2Fs1, 5.0, 56.0, 3.44000005722046, 27.0, 0.760399997234344, , 0.0, 0.0, 5.11899995803833, 1.0, 91.8352966308594, 2.0, 0.578208148479462, 0.0, 0.0, 2.0
InChI%3D1S%2FC6H8N4O3S%2Fc1-2-7-5%2811%299-6-8-3-4%2814-6%2910%2812%2913%2Fh3H%2C2H2%2C1H3%2C%28H2%2C7%2C8%2C9%2C11%29, 12.0, 22.0, 1.24000000953674, 14.0, 0.59799998998642, , 5.0, 4.0, 1.09899997711182, 0.0, 31.4605007171631, 3.0, 0.357603996992111, 2.0, 5.0, 6.0
InChI%3D1S%2FC14H12N4O2%2Fc15-5-1-2-6%2816%2910-9%285%2913%2819%2911-7%2817%293-4-8%2818%2912%2811%2914%2810%2920%2Fh1-4H%2C15-18H2, 20.0, 32.0, 2.33999991416931, 22.0, -3.5271999835968, , 12.0, 0.0, -0.889999985694885, 0.0, 27.5804004669189, 4.0, 12.4411401748657, 0.0, 12.0, 0.0
InChI%3D1S%2FC12H12N2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10%2C13-14H, 14.0, 26.0, 2.55999994277954, 15.0, -0.840799987316132, , 12.0, 3.0, 5.67000007629395, 1.0, 6.59999990463257, 2.0, 0.706944644451141, 0.0, 12.0, 2.0
InChI%3D1S%2FC5H8O2%2Fc1-3-5%286%297-4-2%2Fh3H%2C1%2C4H2%2C2H3, 5.0, 15.0, 1.78999996185303, 6.0, 0.862399995326996, , 0.0, 3.0, 0.955999970436096, 0.0, 26.3542995452881, 0.0, 0.743733763694763, 3.0, 0.0, 7.0
InChI%3D1S%2FC14H13NO%2Fc1-11%2816%2915-14-9-7-13%288-10-14%2912-5-3-2-4-6-12%2Fh2-10H%2C1H3%2C%28H%2C15%2C16%29, 15.0, 29.0, 2.77999997138977, 17.0, -0.0716999992728233, , 12.0, 2.0, 6.07000017166138, 1.0, 13.9007997512817, 1.0, 0.00514088990166783, 2.0, 12.0, 4.0
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, 5.0, 29.0, 1.46000003814697, 14.0, 0.0841000005602837, , 0.0, 5.0, 0.834999978542328, 0.0, 55.7243003845215, 1.0, 0.0070728100836277, 2.0, 0.0, 7.0
InChI%3D1S%2FC2H6N2O%2Fc1-3-4%282%295%2Fh1-2H3, 3.0, 11.0, 1.35000002384186, 4.0, -1.0025999546051, , 0.0, 0.0, 0.23199999332428, 0.0, 14.775899887085, 0.0, 1.00520670413971, 0.0, 0.0, 5.0
InChI%3D1S%2FC6H7ClN%2Fc7-9-6-4-2-1-3-5%286%298%2Fh1-4H%2C8H2, 7.0, 9.0, 1.89999997615814, 7.0, , , 6.0, 0.0, , 0.0, , 0.0, , 0.0, 6.0, 0.0
InChI%3D1S%2FC12H9N3O3S%2Fc16-12-7-3-1-2-4-8%287%2913-11%2814-12%299-5-6-10%2819-9%2915%2817%2918%2Fh1-6%2C11%2C13H%2C%28H%2C14%2C16%29, 10.0, 28.0, 2.00999999046326, 21.0, -0.380899995565414, , 11.0, 2.0, 3.32699990272522, 0.0, 25.6646995544434, 1.0, 0.14508481323719, 0.0, 11.0, 3.0
InChI%3D1S%2FC7H8O2%2Fc1-5-2-3-6%288%297%289%294-5%2Fh2-4%2C8-9H%2C1H3, 8.0, 17.0, 2.00999999046326, 9.0, -0.278600007295609, , 6.0, 0.0, 1.62199997901917, 0.0, 10.6312999725342, 2.0, 0.0776179581880569, 0.0, 6.0, 0.0
InChI%3D1S%2FC8H10N3O.ClH%2Fc9-4-3-6-1-2-8%2812%297%285-6%2911-10%3B%2Fh1-2%2C5%2C10H%2C3-4%2C9H2%3B1H, 9.0, 23.0, 1.78999996185303, 12.0, -1.90429997444153, , 0.0, 2.0, -0.0750000029802322, 0.0, 41.902099609375, 1.0, 3.62635850906372, 2.0, 0.0, 3.0
InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H, 0.0, 5.0, 1.24000000953674, 3.0, 1.6172000169754, , 0.0, 0.0, 2.07399988174438, 0.0, 21.364200592041, 0.0, 2.6153359413147, 0.0, 0.0, 4.0
InChI%3D1S%2FC5H12N2O4%2Fc8-2-1-7%286-11%293-5%2810%294-9%2Fh5%2C8-10H%2C1-4H2, 3.0, 23.0, 1.35000002384186, 10.0, -1.49870002269745, , 0.0, 6.0, -2.36500000953674, 0.0, 38.597599029541, 3.0, 2.24610161781311, 3.0, 0.0, 11.0
InChI%3D1S%2FC19H27NO6%2Fc1-5-13-10-12%282%2919%283%2C24%2918%2823%2925-11-14-6-8-20%284%299-7-15%2816%2814%2921%2926-17%2813%2922%2Fh5-6%2C12%2C15%2C24H%2C7-11H2%2C1-4H3%2Fb13-5%3F%2C14-6-%2Ft12-%2C15-%2C19-%2Fm1%2Fs1, 5.0, 53.0, 2.77999997138977, 27.0, 0.391999989748001, , 0.0, 0.0, 1.02699995040894, 0.0, 94.714599609375, 1.0, 0.153663992881775, 2.0, 0.0, 2.0
InChI%3D1S%2FC4H5NS%2Fc1-2-3-5-4-6%2Fh2H%2C1%2C3H2, 3.0, 11.0, 1.67999994754791, 5.0, 0.759199976921082, , 0.0, 2.0, 1.72099995613098, 0.0, 30.1049995422363, 0.0, 0.576384663581848, 3.0, 0.0, 6.0
InChI%3D1S%2FC11H14O2%2Fc1-4-5-9-6-7-10%2812-2%2911%288-9%2913-3%2Fh4%2C6-8H%2C1%2C5H2%2C2-3H3, 8.0, 27.0, 2.45000004768372, 13.0, 0.925100028514862, , 6.0, 4.0, 3.00300002098083, 0.0, 29.5333995819092, 0.0, 0.855809986591339, 3.0, 6.0, 3.0
InChI%3D1S%2FC11H23NO2%2Fc12-10-8-6-4-2-1-3-5-7-9-11%2813%2914%2Fh1-10%2C12H2%2C%28H%2C13%2C14%29, 3.0, 37.0, 2.33999991416931, 13.0, -3.24729990959167, , 0.0, 10.0, 2.89299988746643, 0.0, 43.9956016540527, 2.0, 10.5449571609497, 11.0, 0.0, 14.0
InChI%3D1S%2FC9H6N2O2%2Fc1-7-2-3-8%2810-5-12%294-9%287%2911-6-13%2Fh2-4H%2C1H3, 12.0, 19.0, 2.00999999046326, 13.0, -0.627600014209747, , 6.0, 2.0, 5.42600011825562, 1.0, 20.3850994110107, 0.0, 0.393881767988205, 0.0, 6.0, 3.0
InChI%3D1S%2FC3H4O2.Na%2Fc4-2-1-3-5%3B%2Fh1-4H%3B%2Fq%3B%2B1%2Fp-1%2Fb2-1-%3B, 5.0, 9.0, 1.46000003814697, 4.0, , , 0.0, 1.0, -0.0439999997615814, 0.0, , 0.0, , 3.0, 0.0, 5.0
InChI%3D1S%2FCN4O8%2Fc6-2%287%291%283%288%299%2C4%2810%2911%295%2812%2913, 3.0, 13.0, 0.25, 12.0, 1.45580005645752, , 0.0, 4.0, 0.796999990940094, 0.0, 13.8470001220703, 0.0, 2.11935353279114, 0.0, 0.0, 13.0
InChI%3D1S%2FC4H5N3O3%2Fc8-3-1-2-7%286-10%294%289%295-3%2Fh1-2H2%2C%28H%2C5%2C8%2C9%29, 8.0, 15.0, 1.24000000953674, 10.0, -0.400299996137619, , 0.0, 1.0, -0.819000005722046, 0.0, 31.1375007629395, 1.0, 0.160240083932877, 0.0, 0.0, 1.0
InChI%3D1S%2FC20H22O3%2Fc1-20%282%2C19%2821%2922%2923-16-12-10-15%2811-13-16%2918-9-5-7-14-6-3-4-8-17%2814%2918%2Fh3-4%2C6%2C8%2C10-13%2C18H%2C5%2C7%2C9H2%2C1-2H3%2C%28H%2C21%2C22%29, 7.0, 45.0, 3.32999992370605, 25.0, 0.0992999970912933, , 12.0, 4.0, 7.44000005722046, 1.0, 38.6148986816406, 1.0, 0.00986049044877291, 3.0, 12.0, 7.0
InChI%3D1S%2FC19H20O4%2Fc1-2-3-13-22-18%2820%2916-11-7-8-12-17%2816%2919%2821%2923-14-15-9-5-4-6-10-15%2Fh4-12H%2C2-3%2C13-14H2%2C1H3, 12.0, 43.0, 3.10999989509583, 24.0, -0.683700025081635, , 12.0, 9.0, 6.59200000762939, 1.0, 33.7296981811523, 0.0, 0.467445701360703, 4.0, 12.0, 7.0
InChI%3D1S%2FC7H9NO2S%2Fc1-6-4-2-3-5-7%286%2911%288%2C9%2910%2Fh2-5H%2C1H3%2C%28H2%2C8%2C9%2C10%29, 10.0, 20.0, 1.78999996185303, 11.0, -0.29449999332428, , 6.0, 1.0, 1.20299994945526, 0.0, 16.6436996459961, 1.0, 0.0867302492260933, 0.0, 6.0, 3.0
InChI%3D1S%2FC34H27N9O7S2.2Na%2Fc35-22-10-15-27%2826%2836%2918-22%2941-38-24-11-6-19%287-12-24%2920-8-13-25%2814-9-20%2940-42-32-28%2851%2845%2C46%2947%2916-21-17-29%2852%2848%2C49%2950%2933%2834%2844%2930%2821%2931%2832%2937%2943-39-23-4-2-1-3-5-23%3B%3B%2Fh1-18%2C44H%2C35-37H2%2C%28H%2C45%2C46%2C47%29%28H%2C48%2C49%2C50%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb41-38%2B%2C42-40%2B%2C43-39%2B%3B%3B, 52.0, 79.0, 3.0, 57.0, , , 34.0, 9.0, 7.45599985122681, 2.0, , 4.0, , 0.0, 35.0, 3.0
InChI%3D1S%2FC10H10N4O3S%2Fc1-6%282%2912-13-10-11-5-8%2818-10%297-3-4-9%2817-7%2914%2815%2916%2Fh3-5H%2C1-2H3%2C%28H%2C11%2C13%29, 16.0, 28.0, 1.67999994754791, 19.0, -0.116300001740456, , 10.0, 4.0, 2.63599991798401, 0.0, 33.0503005981445, 2.0, 0.0135256899520755, 3.0, 10.0, 5.0
InChI%3D1S%2FC7H9NO.ClH%2Fc1-9-7-5-3-2-4-6%287%298%3B%2Fh2-5H%2C8H2%2C1H3%3B1H, 8.0, 20.0, 1.89999997615814, 9.0, -0.801699995994568, , 6.0, 1.0, 1.83399999141693, 0.0, 11.5378999710083, 1.0, 0.642722904682159, 0.0, 6.0, 2.0
InChI%3D1S%2FC4H8N4O2%2Fc9-5-7-2-1-3-8%284-7%296-10%2Fh1-4H2, 3.0, 18.0, 1.24000000953674, 10.0, -0.486900001764297, , 0.0, 2.0, -0.017000000923872, 0.0, 33.8841018676758, 0.0, 0.237071603536606, 0.0, 0.0, 2.0
InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296, 2.0, 6.0, 1.24000000953674, 5.0, 2.42880010604858, , 0.0, 0.0, 3.02600002288818, 0.0, 30.9454002380371, 0.0, 5.89906930923462, 2.0, 0.0, 6.0
InChI%3D1S%2FC16H12N2O4%2Fc1-21-15-7-11%283-5-13%2815%2917-9-19%2912-4-6-14%2818-10-20%2916%288-12%2922-2%2Fh3-8H%2C1-2H3, 20.0, 34.0, 2.55999994277954, 23.0, -1.37320005893707, , 12.0, 5.0, 6.3899998664856, 1.0, 29.5146007537842, 0.0, 1.8856782913208, 0.0, 12.0, 3.0
InChI%3D1S%2FC18H22ClNO.ClH%2Fc1-16%2815-21-18-10-6-3-7-11-18%2920%2813-12-19%2914-17-8-4-2-5-9-17%3B%2Fh2-11%2C16H%2C12-15H2%2C1H3%3B1H, 7.0, 45.0, 3.0, 22.0, 0.650699973106384, , 12.0, 8.0, 7.06099987030029, 1.0, 38.2780990600586, 0.0, 0.423410475254059, 3.0, 12.0, 9.0
InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H, 10.0, 18.0, 2.55999994277954, 11.0, 0.0, , 10.0, 0.0, 5.93800020217896, 1.0, 0.0, 0.0, 0.0, 0.0, 11.0, 0.0
InChI%3D1S%2FC2H4O%2Fc1-2-3-1%2Fh1-2H2, 0.0, 7.0, 1.57000005245209, 3.0, -0.130899995565414, , 0.0, 0.0, -0.189999997615814, 0.0, 11.0434999465942, 0.0, 0.0171348098665476, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H8O%2Fc1-2-4-3-5-4%2Fh4H%2C2-3H2%2C1H3, 0.0, 13.0, 1.78999996185303, 5.0, -0.42960000038147, , 0.0, 1.0, 0.628000020980835, 0.0, 18.5394992828369, 0.0, 0.184556156396866, 2.0, 0.0, 2.0
InChI%3D1S%2FC4H10N2O2%2Fc1-4%287%293-6%282%295-8%2Fh4%2C7H%2C3H2%2C1-2H3, 3.0, 18.0, 1.46000003814697, 7.0, -0.459300011396408, , 0.0, 3.0, -0.523999989032745, 0.0, 30.9272003173828, 1.0, 0.210956484079361, 3.0, 0.0, 8.0
InChI%3D1S%2FC6H10N2O2%2Fc1-3-4-8%287-10%295-6%282%299%2Fh3H%2C1%2C4-5H2%2C2H3, 3.0, 20.0, 1.67999994754791, 9.0, 0.149599999189377, , 0.0, 5.0, -0.0130000002682209, 0.0, 38.8488998413086, 0.0, 0.0223801601678133, 3.0, 0.0, 10.0
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, 7.0, 31.0, 2.33999991416931, 16.0, 1.44589996337891, , 6.0, 5.0, 3.21000003814697, 0.0, 37.2849006652832, 0.0, 2.09062671661377, 3.0, 6.0, 9.0
InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2, 2.0, 6.0, 1.57000005245209, 2.0, 1.00199997425079, , 0.0, 0.0, 1.54900002479553, 0.0, 14.7774000167847, 0.0, 1.00400400161743, 0.0, 0.0, 3.0
InChI%3D1S%2FC12H13N3O2%2Fc16-9-7-8%2813-1-2-13%2912%2817%2911%2815-5-6-15%2910%289%2914-3-4-14%2Fh7H%2C1-6H2, 11.0, 30.0, 2.23000001907349, 20.0, -0.929899990558624, , 0.0, 3.0, 0.744000017642975, 0.0, 66.2043991088867, 0.0, 0.864714026451111, 0.0, 0.0, 0.0
InChI%3D1S%2FC15H17N3%2Fc1-12-5-4-6-14%2811-12%2917-16-13-7-9-15%2810-8-13%2918%282%293%2Fh4-11H%2C1-3H3%2Fb17-16%2B, 15.0, 35.0, 2.77999997138977, 19.0, 0.859799981117249, , 12.0, 3.0, 5.81099987030029, 1.0, 19.7935009002686, 0.0, 0.739256024360657, 0.0, 12.0, 2.0
InChI%3D1S%2FC12H12O4%2Fc1-3-10%2816-8%282%2913%299-4-5-11-12%286-9%2915-7-14-11%2Fh3-6%2C10H%2C1%2C7H2%2C2H3, 8.0, 28.0, 2.33999991416931, 17.0, 0.273200005292892, , 6.0, 4.0, 2.27300000190735, 0.0, 32.7332992553711, 0.0, 0.0746382400393486, 3.0, 6.0, 7.0
InChI%3D1S%2FCH2O%2Fc1-2%2Fh1H2, 1.0, 4.0, 1.46000003814697, 1.0, -0.884100019931793, , 0.0, 0.0, 0.0209999997168779, 0.0, 6.30700016021729, 0.0, 0.781632781028748, 0.0, 0.0, 1.0
InChI%3D1S%2FC2H3Br%2Fc1-2-3%2Fh2H%2C1H2, 2.0, 6.0, 1.57000005245209, 2.0, 1.08599996566772, , 0.0, 0.0, 1.72500002384186, 0.0, 17.5953998565674, 0.0, 1.17939603328705, 0.0, 0.0, 3.0
InChI%3D1S%2FC2HCl2F3%2Fc3-1%284%292%285%2C6%297%2Fh1H, 0.0, 8.0, 1.12999999523163, 6.0, 2.29769992828369, , 0.0, 1.0, 2.81800007820129, 0.0, 21.816499710083, 0.0, 5.27942514419556, 2.0, 0.0, 7.0
InChI%3D1S%2FC7H6N4O3S%2Fc8-10-7-9-4%283-15-7%295-1-2-6%2814-5%2911%2812%2913%2Fh1-3H%2C8H2%2C%28H%2C9%2C10%29, 15.0, 21.0, 1.35000002384186, 16.0, -0.625999987125397, , 10.0, 3.0, 0.989000022411346, 0.0, 20.8824996948242, 2.0, 0.391876012086868, 0.0, 10.0, 2.0
InChI%3D1S%2FC5H11N3O3%2Fc1-2-8%287-11%295%2810%296-3-4-9%2Fh9H%2C2-4H2%2C1H3%2C%28H%2C6%2C10%29, 6.0, 22.0, 1.35000002384186, 10.0, 0.0143999997526407, , 0.0, 5.0, -0.633000016212463, 0.0, 38.9272994995117, 2.0, 0.000207360004424118, 2.0, 0.0, 11.0
InChI%3D1S%2FC9H4Cl6O4%2Fc10-3-4%2811%298%2813%292%286%2818%2919%291%285%2816%2917%297%283%2C12%299%288%2C14%2915%2Fh1-2H%2C%28H%2C16%2C17%29%28H%2C18%2C19%29, 3.0, 23.0, 1.35000002384186, 20.0, 2.4423999786377, , 0.0, 2.0, 1.2849999666214, 0.0, 71.7750015258789, 2.0, 5.96531772613525, 0.0, 0.0, 3.0
InChI%3D1S%2FC6H13NO2S%2Fc1-2-10-4-3-5%287%296%288%299%2Fh5H%2C2-4%2C7H2%2C1H3%2C%28H%2C8%2C9%29, 3.0, 23.0, 1.67999994754791, 9.0, -0.479900002479553, , 0.0, 5.0, -1.49500000476837, 0.0, 40.1720008850098, 2.0, 0.230304002761841, 4.0, 0.0, 10.0
InChI%3D1S%2FC2H5NS%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29, 2.0, 9.0, 1.46000003814697, 3.0, 0.555599987506866, , 0.0, 0.0, 0.742999970912933, 0.0, 20.3145999908447, 1.0, 0.30869135260582, 2.0, 0.0, 4.0
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, 18.0, 43.0, 3.10999989509583, 25.0, -1.68340003490448, , 12.0, 5.0, 5.66400003433228, 1.0, 34.6782989501953, 0.0, 2.83383560180664, 4.0, 12.0, 4.0
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-%2C22%3F%2C24-%2C27%3F%2C28%2B%2C31%2B%2Fm1%2Fs1, 12.0, 83.0, 3.88000011444092, 49.0, -0.443800002336502, , 12.0, 10.0, 2.89499998092651, 0.0, 99.9578018188477, 1.0, 0.196958437561989, 0.0, 16.0, 4.0
InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H, 0.0, 5.0, 1.24000000953674, 3.0, 1.82099997997284, , 0.0, 0.0, 2.41199994087219, 0.0, 24.172700881958, 0.0, 3.31604099273682, 0.0, 0.0, 4.0
InChI%3D1S%2FC6H12N2O2%2Fc1-3-4-8%287-10%295-6%282%299%2Fh3%2C6%2C9H%2C1%2C4-5H2%2C2H3, 3.0, 22.0, 1.67999994754791, 9.0, 0.157499998807907, , 0.0, 5.0, 0.090999998152256, 0.0, 40.089900970459, 1.0, 0.0248062498867512, 3.0, 0.0, 10.0
InChI%3D1S%2FC3H7N3O3%2Fc4-3%288%296%285-9%291-2-7%2Fh7H%2C1-2H2%2C%28H2%2C4%2C8%29, 6.0, 16.0, 1.12999999523163, 8.0, -0.114100001752377, , 0.0, 4.0, -0.857999980449677, 0.0, 29.1236000061035, 3.0, 0.0130188101902604, 2.0, 0.0, 9.0
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-, 3.0, 22.0, 1.35000002384186, 13.0, -0.520699977874756, , 0.0, 3.0, -1.77999997138977, 0.0, 26.0491008758545, 3.0, 0.271128475666046, 0.0, 5.0, 5.0
InChI%3D1S%2FC3H6O3S%2Fc4-7%285%293-1-2-6-7%2Fh1-3H2, 4.0, 13.0, 1.35000002384186, 7.0, -0.657599985599518, , 0.0, 0.0, -0.78600001335144, 0.0, 22.3278007507324, 0.0, 0.432437747716904, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H12N2%2Fc13-11-5-1-9%282-6-11%2910-3-7-12%2814%298-4-10%2Fh1-8H%2C13-14H2, 14.0, 26.0, 2.55999994277954, 15.0, -1.49979996681213, , 12.0, 1.0, 3.12199997901917, 0.0, 8.44419956207275, 2.0, 2.24940013885498, 0.0, 12.0, 0.0
InChI%3D1S%2FC19H27NO7%2Fc1-11-9-19%2812%282%2927-19%2917%2823%2926-14-6-8-20%284%297-5-13%2815%2814%2921%2910-25-16%2822%2918%2811%2C3%2924%2Fh5%2C11-12%2C14%2C24H%2C6-10H2%2C1-4H3%2Fb13-5-%2Ft11-%2C12-%2C14-%2C18-%2C19%3F%2Fm1%2Fs1, 4.0, 54.0, 2.67000007629395, 29.0, -1.01660001277924, , 0.0, 0.0, 0.0799999982118607, 0.0, 93.2130966186523, 1.0, 1.03347551822662, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H15Cl6O4P%2Fc10-1-7%282-11%2917-20%2816%2C18-8%283-12%294-13%2919-9%285-14%296-15%2Fh7-9H%2C1-6H2, 5.0, 35.0, 1.24000000953674, 19.0, 4.28550004959106, , 0.0, 12.0, 4.01100015640259, 1.0, 83.1691970825195, 0.0, 18.3655109405518, 3.0, 0.0, 20.0
InChI%3D1S%2FC8H6N4O4S%2Fc1-4%2813%299-8-11-10-7%2817-8%295-2-3-6%2816-5%2912%2814%2915%2Fh2-3H%2C1H3%2C%28H%2C9%2C11%2C13%29, 16.0, 23.0, 1.35000002384186, 18.0, 0.318199992179871, , 10.0, 3.0, 1.28699994087219, 0.0, 26.1991996765137, 2.0, 0.101251237094402, 2.0, 10.0, 4.0
InChI%3D1S%2FC2H6N2O2%2Fc1-3%282%294%285%296%2Fh1-2H3, 4.0, 12.0, 1.24000000953674, 5.0, -0.353300005197525, , 0.0, 1.0, 0.0769999995827675, 0.0, 16.7791996002197, 0.0, 0.12482088804245, 0.0, 0.0, 6.0
InChI%3D1S%2FC4H6Cl2%2Fc5-3-1-2-4-6%2Fh1-2H%2C3-4H2%2Fb2-1%2B, 2.0, 12.0, 1.67999994754791, 5.0, 1.97959995269775, , 0.0, 2.0, 1.94000005722046, 0.0, 30.9741992950439, 0.0, 3.91881608963013, 4.0, 0.0, 6.0
InChI%3D1S%2FC6H11NO2%2Fc1-3-5-6%284-2%297%288%299%2Fh5H%2C3-4H2%2C1-2H3%2Fb6-5-, 5.0, 20.0, 1.78999996185303, 8.0, -0.499000012874603, , 0.0, 3.0, 2.0699999332428, 0.0, 30.1527004241943, 0.0, 0.249000996351242, 6.0, 0.0, 9.0
InChI%3D1S%2FC4H10N2O%2Fc1-3-5-6%287%294-2%2Fh3-4H2%2C1-2H3, 3.0, 17.0, 1.57000005245209, 6.0, -0.277599990367889, , 0.0, 2.0, 0.233999997377396, 0.0, 23.5503005981445, 0.0, 0.0770617574453354, 2.0, 0.0, 7.0
InChI%3D1S%2FC13H12Cl2N2%2Fc14-10-6-8%281-3-12%2810%2916%295-9-2-4-13%2817%2911%2815%297-9%2Fh1-4%2C6-7H%2C5%2C16-17H2, 7.0, 29.0, 2.45000004768372, 18.0, 0.444999992847443, , 12.0, 2.0, 3.46099996566772, 0.0, 24.2763996124268, 2.0, 0.1980250030756, 0.0, 12.0, 0.0
InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H, 5.0, 9.0, 1.78999996185303, 5.0, -0.154100000858307, , 5.0, 0.0, 1.01800000667572, 0.0, 1.61909997463226, 0.0, 0.0237468108534813, 0.0, 5.0, 0.0
InChI%3D1S%2FBrHO3.K%2Fc2-1%283%294%3B%2Fh%28H%2C2%2C3%2C4%29%3B%2Fq%3B%2B1%2Fp-1, 4.0, 5.0, 0.910000026226044, 3.0, , , 0.0, 0.0, 0.0520000010728836, 0.0, , 0.0, , 0.0, 0.0, 4.0
InChI%3D1S%2FHNO2.Na%2Fc2-1-3%3B%2Fh%28H%2C2%2C3%29%3B%2Fq%3B%2B1%2Fp-1, 3.0, 4.0, 1.01999998092651, 2.0, , , 0.0, 0.0, 0.379999995231628, 0.0, , 0.0, , 0.0, 0.0, 3.0
InChI%3D1S%2FC2HCl3%2Fc3-1-2%284%295%2Fh1H, 2.0, 6.0, 1.35000002384186, 4.0, 1.74279999732971, , 0.0, 0.0, 2.64199995994568, 0.0, 25.2621994018555, 0.0, 3.03735184669495, 2.0, 0.0, 5.0
InChI%3D1S%2FC4H9N3O2%2Fc1-2-3-7%286-9%294%285%298%2Fh2-3H2%2C1H3%2C%28H2%2C5%2C8%29, 6.0, 18.0, 1.35000002384186, 8.0, 0.097900003194809, , 0.0, 4.0, 0.632000029087067, 0.0, 30.6571006774902, 2.0, 0.00958441011607647, 3.0, 0.0, 9.0
InChI%3D1S%2F3C2H7O3P.Al.3H%2Fc3%2A1-2-5-6%283%294%3B%3B%3B%3B%2Fh3%2A6H%2C2H2%2C1H3%2C%28H%2C3%2C4%29%3B%3B%3B%3B%2Fq%3B%3B%3B%2B3%3B%3B%3B%2Fp-3, 4.0, 37.0, 0.689999997615814, 15.0, , , 0.0, 6.0, -2.51399993896484, 0.0, , 0.0, , 2.0, 0.0, 6.0
InChI%3D1S%2FC4H7Cl2O4P%2Fc1-8-11%287%2C9-2%2910-3-4%285%296%2Fh3H%2C1-2H3, 7.0, 18.0, 1.12999999523163, 10.0, 1.03320002555847, , 0.0, 4.0, 1.20700001716614, 0.0, 42.2757987976074, 0.0, 1.06750226020813, 2.0, 0.0, 11.0
InChI%3D1S%2FC12H27O4P%2Fc1-4-7-10-14-17%2813%2C15-11-8-5-2%2916-12-9-6-3%2Fh4-12H2%2C1-3H3, 5.0, 44.0, 2.23000001907349, 16.0, -1.63800001144409, , 0.0, 12.0, 3.35999989509583, 1.0, 60.3110008239746, 0.0, 2.68304395675659, 4.0, 0.0, 17.0
InChI%3D1S%2FC5H9NO%2Fc7-6-5-3-1-2-4-5%2Fh7H%2C1-4H2, 3.0, 16.0, 1.78999996185303, 7.0, -0.728299975395203, , 0.0, 0.0, 0.593999981880188, 0.0, 23.8024997711182, 1.0, 0.530420899391174, 0.0, 0.0, 2.0
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, 6.0, 36.0, 1.24000000953674, 20.0, -1.07469999790192, , 0.0, 6.0, -1.57200002670288, 0.0, 65.4400024414062, 5.0, 1.15498006343842, 2.0, 0.0, 9.0
InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3, 12.0, 19.0, 1.57000005245209, 13.0, 0.548799991607666, , 6.0, 2.0, 2.68199992179871, 0.0, 11.273699760437, 0.0, 0.301181435585022, 0.0, 6.0, 3.0
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, 9.0, 38.0, 3.22000002861023, 27.0, -1.29659998416901, , 18.0, 2.0, 4.90999984741211, 0.0, 13.7238998413086, 2.0, 1.68117153644562, 0.0, 18.0, 0.0
InChI%3D1S%2FC34H28N6O16S4.4Na%2Fc1-55-25-9-15%283-5-23%2825%2937-39-31-27%2859%2849%2C50%2951%2911-17-7-19%2857%2843%2C44%2945%2913-21%2835%2929%2817%2933%2831%2941%2916-4-6-24%2826%2810-16%2956-2%2938-40-32-28%2860%2852%2C53%2954%2912-18-8-20%2858%2846%2C47%2948%2914-22%2836%2930%2818%2934%2832%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, 58.0, 88.0, 1.89999997615814, 65.0, , , 32.0, 11.0, 0.589999973773956, 2.0, , 4.0, , 0.0, 34.0, 3.0
InChI%3D1S%2F2C6H11Br4O4P.Mg%2Fc2%2A7-1-5%289%293-13-15%2811%2C12%2914-4-6%2810%292-8%3B%2Fh2%2A5-6H%2C1-4H2%2C%28H%2C11%2C12%29%3B%2Fq%3B%3B%2B2%2Fp-2, 5.0, 51.0, 0.689999997615814, 28.0, , , 0.0, 16.0, 5.90199995040894, 2.0, , 0.0, , 3.0, 0.0, 15.0
InChI%3D1S%2FC10Cl10O%2Fc11-2-1%2821%293%2812%296%2815%294%282%2C13%298%2817%295%282%2C14%297%283%2C16%299%286%2C18%2910%288%2C19%2920, 2.0, 21.0, 1.35000002384186, 25.0, 4.4987998008728, , 0.0, 0.0, 3.7260000705719, 0.0, 83.1997985839844, 0.0, 20.239200592041, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H6N2O4%2Fc1-5-6%288%2810%2911%293-2-4-7%285%299%2812%2913%2Fh2-4H%2C1H3, 12.0, 19.0, 1.57000005245209, 13.0, 0.548799991607666, , 6.0, 2.0, 2.68199992179871, 0.0, 11.273699760437, 0.0, 0.301181435585022, 0.0, 6.0, 3.0
InChI%3D1S%2FC12H12N2O%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2, 15.0, 27.0, 2.45000004768372, 16.0, -1.65390002727509, , 12.0, 2.0, 2.62400007247925, 0.0, 10.0633001327515, 2.0, 2.73538517951965, 0.0, 12.0, 0.0
InChI%3D1S%2FC5H8N3O4%2Fc6-3%285%2810%2911%292-12-4%289%291-8-7%2Fh1%2C3%2C7H%2C2%2C6H2%2C%28H%2C10%2C11%29%2Ft3-%2Fm0%2Fs1, 6.0, 19.0, 1.24000000953674, 11.0, -2.27880001068115, , 0.0, 5.0, -1.307000041008, 0.0, 30.605899810791, 3.0, 5.1929292678833, 3.0, 0.0, 12.0
InChI%3D1S%2FC16H23NO6%2Fc1-9-13%2818%2923-11-5-7-17-6-4-10%2812%2811%2917%298-22-14%2819%2916%283%2C21%2915%289%2C2%2920%2Fh4%2C9%2C11-12%2C20-21H%2C5-8H2%2C1-3H3%2Ft9-%2C11%3F%2C12%2B%2C15%2B%2C16-%2Fm0%2Fs1, 3.0, 46.0, 2.45000004768372, 25.0, -0.567399978637695, , 0.0, 0.0, 0.0179999992251396, 0.0, 78.9782028198242, 2.0, 0.321942746639252, 0.0, 0.0, 0.0
InChI%3D1S%2FC15H17N5O%2Fc1-2-21-9-8-12-13%2811-6-4-3-5-7-11%2919-15%2816%2920-14%2812%2917-10-18-20%2Fh3-7%2C10H%2C2%2C8-9H2%2C1H3%2C%28H2%2C16%2C19%29, 6.0, 40.0, 2.45000004768372, 23.0, -0.903800010681152, , 6.0, 5.0, 3.8050000667572, 0.0, 36.6338005065918, 4.0, 0.816854417324066, 2.0, 11.0, 5.0
InChI%3D1S%2FC6H11N3O3%2Fc1-3-9%288-12%296%2811%297-4-5%282%2910%2Fh3-4H2%2C1-2H3%2C%28H%2C7%2C11%29, 6.0, 23.0, 1.46000003814697, 11.0, 0.219999998807907, , 0.0, 5.0, -0.623000025749207, 0.0, 42.4575004577637, 1.0, 0.0483999997377396, 3.0, 0.0, 12.0
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-, 0.0, 24.0, 1.46000003814697, 11.0, -0.241999998688698, , 0.0, 5.0, -0.272000014781952, 0.0, 50.472599029541, 4.0, 0.0585639998316765, 6.0, 0.0, 12.0
InChI%3D1S%2FC34H59NO15%2Fc1-5-6-9-20%283%2932%2850-31%2844%2917-23%2834%2847%2948%2915-29%2841%2942%2927%2849-30%2843%2916-22%2833%2845%2946%2914-28%2839%2940%2913-19%282%2912-24%2836%2910-7-8-11-25%2837%2918-26%2838%2921%284%2935%2Fh19-27%2C32%2C36-38H%2C5-18%2C35H2%2C1-4H3%2C%28H%2C39%2C40%29%28H%2C41%2C42%29%28H%2C45%2C46%29%28H%2C47%2C48%29%2Ft19-%2C20%2B%2C21%2B%2C22%2B%2C23%2B%2C24%2B%2C25-%2C26%2B%2C27-%2C32-%2Fm1%2Fs1, 3.0, 109.0, 3.44000005722046, 49.0, -4.60459995269775, , 0.0, 31.0, 1.73099994659424, 3.0, 161.808502197266, 8.0, 21.2023410797119, 20.0, 0.0, 50.0
InChI%3D1S%2FC7H14N2O%2Fc10-8-9-6-4-2-1-3-5-7-9%2Fh1-7H2, 3.0, 24.0, 1.89999997615814, 10.0, -1.53059995174408, , 0.0, 1.0, 1.74500000476837, 0.0, 32.6394996643066, 0.0, 2.34273624420166, 0.0, 0.0, 2.0
InChI%3D1S%2FC17H14O6%2Fc1-20-10-6-11-14%288-4-5-21-17%288%2922-11%2915-13%2810%297-2-3-9%2818%2912%287%2916%2819%2923-15%2Fh4-6%2C8-9%2C17-18H%2C2-3H2%2C1H3%2Ft8-%2C9%2B%2C17%3F%2Fm0%2Fs1, 11.0, 39.0, 2.67000007629395, 27.0, -1.40030002593994, , 6.0, 1.0, 1.0, 0.0, 52.9067001342773, 1.0, 1.96084010601044, 0.0, 6.0, 2.0
InChI%3D1S%2FC10H22N2O%2Fc1-3-5-7-9-12%2811-13%2910-8-6-4-2%2Fh3-10H2%2C1-2H3, 3.0, 35.0, 2.23000001907349, 12.0, -1.71599996089935, , 0.0, 9.0, 3.56299996376038, 0.0, 47.3484992980957, 0.0, 2.94465589523315, 5.0, 0.0, 13.0
InChI%3D1S%2FC12H9NO2%2Fc14-13%2815%2911-7-6-9-5-4-8-2-1-3-10%2811%2912%288%299%2Fh1-3%2C6-7H%2C4-5H2, 13.0, 24.0, 2.45000004768372, 17.0, 0.0781999975442886, , 10.0, 1.0, 4.86499977111816, 0.0, 12.6166000366211, 0.0, 0.00611524004489183, 0.0, 11.0, 3.0
InChI%3D1S%2FC2H4Br2%2Fc3-1-2-4%2Fh1-2H2, 0.0, 8.0, 1.46000003814697, 3.0, 1.80079996585846, , 0.0, 1.0, 2.41599988937378, 0.0, 26.6226005554199, 0.0, 3.24288058280945, 2.0, 0.0, 4.0
InChI%3D1S%2FCo.H2O4S.7H2O%2Fc%3B1-5%282%2C3%294%3B%3B%3B%3B%3B%3B%3B%2Fh%3B%28H2%2C1%2C2%2C3%2C4%29%3B7%2A1H2%2Fq%2B2%3B%3B%3B%3B%3B%3B%3B%3B%2Fp-2, 5.0, 27.0, 0.0299999993294477, 4.0, , , 0.0, 0.0, -5.03299999237061, 2.0, , 7.0, , 0.0, 0.0, 5.0
InChI%3D1S%2FC15H9NO4%2Fc1-8-6-7-11-12%2813%288%2916%2819%2920%2915%2818%2910-5-3-2-4-9%2810%2914%2811%2917%2Fh2-7H%2C1H3, 19.0, 29.0, 2.55999994277954, 22.0, 0.0678000003099442, , 12.0, 1.0, 3.65100002288818, 0.0, 19.0799007415771, 0.0, 0.00459684012457728, 0.0, 12.0, 2.0
InChI%3D1S%2FC37H36N2O6S2.Na%2Fc1-3-38%2826-28-10-8-14-35%2824-28%2946%2840%2C41%2942%2933-20-16-31%2817-21-33%2937%2830-12-6-5-7-13-30%2932-18-22-34%2823-19-32%2939%284-2%2927-29-11-9-15-36%2825-29%2947%2843%2C44%2945%3B%2Fh5-25H%2C3-4%2C26-27H2%2C1-2H3%2C%28H-%2C40%2C41%2C42%2C43%2C44%2C45%29%3B%2Fq%3B%2B1%2Fp-1, 21.0, 83.0, 4.32000017166138, 51.0, , , 24.0, 11.0, 8.47500038146973, 2.0, , 0.0, , 2.0, 24.0, 4.0
InChI%3D1S%2FC16H17NO2%2Fc1-18-15-9-10-16%2819-2%2913%2811-15%296-3-12-4-7-14%2817%298-5-12%2Fh3-11H%2C17H2%2C1-2H3%2Fb6-3%2B, 17.0, 36.0, 2.89000010490417, 20.0, -0.385699987411499, , 12.0, 4.0, 4.19600009918213, 0.0, 29.1723003387451, 1.0, 0.148764491081238, 2.0, 12.0, 2.0
InChI%3D1S%2FC13H13N3.C2H4O2%2Fc1-7-12-11%288%282%2915-13%287%2914%299-5-3-4-6-10%289%2916-12%3B1-2%283%294%2Fh3-6%2C16H%2C1-2H3%2C%28H2%2C14%2C15%29%3B1H3%2C%28H%2C3%2C4%29, 7.0, 38.0, 2.55999994277954, 21.0, -0.410800009965897, , 6.0, 0.0, , , 39.9930000305176, 3.0, 0.168756633996964, 2.0, 10.0, 4.0
InChI%3D1S%2FC4H8%2Fc1-4%282%293%2Fh1H2%2C2-3H3, 2.0, 12.0, 1.89999997615814, 3.0, 1.79589998722076, , 0.0, 0.0, 1.84800004959106, 0.0, 19.9312992095947, 0.0, 3.22525691986084, 3.0, 0.0, 4.0
InChI%3D1S%2FC11H12N3O3%2Fc12-10%2815%296-9-11%2816%2917-13-14%289%297-8-4-2-1-3-5-8%2Fh1-5%2C16H%2C6-7H2%2C%28H2%2C12%2C15%29%2Fq%2B1%2Fp-1, 6.0, 32.0, 2.00999999046326, 18.0, -1.49870002269745, , 6.0, 4.0, 1.87100005149841, 0.0, 30.7980003356934, 3.0, 2.24610161781311, 2.0, 6.0, 4.0
InChI%3D1S%2FC20H12%2Fc1-2-7-17-15%284-1%2912-16-9-8-13-5-3-6-14-10-11-18%2817%2920%2816%2919%2813%2914%2Fh1-12H, 20.0, 32.0, 3.66000008583069, 24.0, 0.0, , 20.0, 0.0, 10.2119998931885, 1.0, 0.0, 0.0, 0.0, 0.0, 24.0, 0.0
InChI%3D1S%2F2C17H13ClN2O4S.Ba%2Fc2%2A1-10-8-14%2816%289-13%2810%2918%2925%2822%2C23%2924%2919-20-17-12-5-3-2-4-11%2812%296-7-15%2817%2921%3B%2Fh2%2A2-9%2C21H%2C1H3%2C%28H%2C22%2C23%2C24%29%3B%2Fq%3B%3B%2B2%2Fp-2%2Fb2%2A20-19%2B%3B, 23.0, 75.0, 3.32999992370605, 54.0, , , 32.0, 6.0, , 0.0, , 2.0, , 0.0, 34.0, 3.0
InChI%3D1S%2FC8H6N4O4S%2Fc13-4-9-11-8-10-5%283-17-8%296-1-2-7%2816-6%2912%2814%2915%2Fh1-4H%2C%28H%2C9%2C13%29%28H%2C10%2C11%29, 17.0, 23.0, 1.35000002384186, 18.0, -0.180999994277954, , 10.0, 4.0, 2.51999998092651, 0.0, 25.4272003173828, 2.0, 0.0327610000967979, 0.0, 10.0, 4.0
InChI%3D1S%2FC7H5NS2%2Fc9-7-8-5-3-1-2-4-6%285%2910-7%2Fh1-4H%2C%28H%2C8%2C9%29, 9.0, 15.0, 1.89999997615814, 11.0, 1.10160005092621, , 9.0, 0.0, 2.52800011634827, 0.0, 16.4850997924805, 1.0, 1.21352255344391, 0.0, 10.0, 0.0
InChI%3D1S%2FC20H19NO3%2Fc1-20%282%2910-9-13-15%2824-20%2911-16%2823-4%2917-18%2813%2921%283%2914-8-6-5-7-12%2814%2919%2817%2922%2Fh5-11H%2C1-4H3, 19.0, 43.0, 3.22000002861023, 27.0, 0.70770001411438, , 12.0, 1.0, 3.75, 0.0, 46.9622001647949, 0.0, 0.500839293003082, 0.0, 12.0, 2.0
InChI%3D1S%2FC19H18N2O7S2.2Na%2Fc1-10-6-12%283%2916%287-11%2810%292%2920-21-18-15-5-4-14%2829%2823%2C24%2925%298-13%2815%299-17%2819%2818%2922%2930%2826%2C27%2928%3B%3B%2Fh4-9%2C22H%2C1-3H3%2C%28H%2C23%2C24%2C25%29%28H%2C26%2C27%2C28%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb21-20%2B%3B%3B, 27.0, 48.0, 2.11999988555908, 32.0, , , 16.0, 4.0, 4.44099998474121, 0.0, , 1.0, , 0.0, 17.0, 3.0
InChI%3D1S%2FC3H3N3O3%2Fc7-2-1-6%285-9%293%288%294-2%2Fh1H2%2C%28H%2C4%2C7%2C8%29, 8.0, 12.0, 1.12999999523163, 9.0, -0.648500025272369, , 0.0, 1.0, -0.976999998092651, 0.0, 26.4381008148193, 1.0, 0.420552253723145, 0.0, 0.0, 1.0
InChI%3D1S%2FC17H17ClO3%2Fc1-17%282%2C16%2819%2920-3%2921-15-10-6-13%287-11-15%2912-4-8-14%2818%299-5-12%2Fh4-11H%2C1-3H3, 13.0, 38.0, 2.89000010490417, 22.0, 1.19550001621246, , 12.0, 5.0, 5.1729998588562, 1.0, 32.9911003112793, 0.0, 1.42922019958496, 3.0, 12.0, 8.0
InChI%3D1S%2FC14H8O3%2Fc15-11-7-3-6-10-12%2811%2914%2817%299-5-2-1-4-8%289%2913%2810%2916%2Fh1-7%2C15H, 17.0, 25.0, 2.67000007629395, 19.0, -0.987900018692017, , 12.0, 0.0, 2.68899989128113, 0.0, 13.2566003799438, 1.0, 0.975946426391602, 0.0, 12.0, 0.0
InChI%3D1S%2FC7H7N3O2%2Fc1-10%289-12%297-4-2-6%288-11%293-5-7%2Fh2-5H%2C1H3, 11.0, 19.0, 1.67999994754791, 12.0, -0.0348000004887581, , 6.0, 3.0, 1.59200000762939, 0.0, 15.7966995239258, 0.0, 0.00121103995479643, 0.0, 6.0, 4.0
InChI%3D1S%2FC7H3Cl5O%2Fc1-13-7-5%2811%293%289%292%288%294%2810%296%287%2912%2Fh1H3, 7.0, 16.0, 1.57000005245209, 13.0, 3.66969990730286, , 6.0, 1.0, 2.83200001716614, 0.0, 35.393798828125, 0.0, 13.4666976928711, 0.0, 6.0, 2.0
InChI%3D1S%2FC13H12N4.ClH%2Fc1-17-11-7-10%289-5-3-2-4-6-9%298-15-12%2811%2916-13%2817%2914%3B%2Fh2-8H%2C1H3%2C%28H2%2C14%2C15%2C16%29%3B1H, 16.0, 31.0, 2.33999991416931, 19.0, -0.36719998717308, , 12.0, 1.0, 5.46600008010864, 1.0, 16.8964004516602, 2.0, 0.134835839271545, 0.0, 12.0, 0.0
InChI%3D1S%2FC2H5NO%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29, 3.0, 9.0, 1.46000003814697, 3.0, -0.0716999992728233, , 0.0, 0.0, 0.32600000500679, 0.0, 13.9007997512817, 2.0, 0.00514088990166783, 2.0, 0.0, 4.0
InChI%3D1S%2FC4H8N2S4.Mn%2Fc7-3%288%295-1-2-6-4%289%2910%3B%2Fh1-2H2%2C%28H2%2C5%2C7%2C8%29%28H2%2C6%2C9%2C10%29%3B%2Fq%3B%2B2%2Fp-2, 4.0, 17.0, 1.12999999523163, 9.0, , , 0.0, 3.0, 0.0500000007450581, 0.0, , 0.0, , 2.0, 0.0, 10.0
InChI%3D1S%2FC6H7N3O%2Fc7-9-6%2810%295-1-3-8-4-2-5%2Fh1-4H%2C7H2%2C%28H%2C9%2C10%29, 10.0, 17.0, 1.67999994754791, 10.0, -1.230299949646, , 6.0, 2.0, -0.570999979972839, 0.0, 12.7256002426147, 2.0, 1.51363813877106, 0.0, 6.0, 4.0
InChI%3D1S%2FC8H16N2O3%2Fc1-3-5-6-7-10%289-12%298%2811%2913-4-2%2Fh3-7H2%2C1-2H3, 6.0, 29.0, 1.78999996185303, 12.0, -0.134900003671646, , 0.0, 8.0, 2.22900009155273, 0.0, 44.2860984802246, 0.0, 0.0181980095803738, 5.0, 0.0, 13.0
InChI%3D1S%2FC3H5N3O4%2Fc4-3%289%296%285-10%291-2%287%298%2Fh1H2%2C%28H2%2C4%2C9%29%28H%2C7%2C8%29, 6.0, 15.0, 1.01999998092651, 9.0, -0.118600003421307, , 0.0, 4.0, -0.767000019550323, 0.0, 28.9158992767334, 3.0, 0.0140659604221582, 2.0, 0.0, 10.0
InChI%3D1S%2FC6H6N2O3%2Fc7-5-3-4%288%2810%2911%291-2-6%285%299%2Fh1-3%2C9H%2C7H2, 11.0, 17.0, 1.57000005245209, 11.0, -1.25680005550385, , 6.0, 1.0, 1.11899995803833, 0.0, 9.67249965667725, 2.0, 1.57954621315002, 0.0, 6.0, 3.0
InChI%3D1S%2FC4Cl6%2Fc5-1%283%287%298%292%286%294%289%2910, 4.0, 10.0, 1.24000000953674, 9.0, 3.6340000629425, , 0.0, 1.0, 4.4520001411438, 0.0, 50.6963996887207, 0.0, 13.2059564590454, 4.0, 0.0, 10.0
InChI%3D1S%2FC3H6O2%2Fc4-1-3-2-5-3%2Fh3-4H%2C1-2H2, 0.0, 11.0, 1.57000005245209, 5.0, -0.641600012779236, , 0.0, 1.0, -0.861999988555908, 0.0, 17.0060005187988, 1.0, 0.411650568246841, 0.0, 0.0, 2.0
InChI%3D1S%2FC3H5NO%2Fc1-2-3%284%295%2Fh2H%2C1H2%2C%28H2%2C4%2C5%29, 5.0, 10.0, 1.57000005245209, 4.0, 0.519200026988983, , 0.0, 1.0, 0.617999970912933, 0.0, 18.5485000610352, 2.0, 0.269568651914597, 3.0, 0.0, 5.0
InChI%3D1S%2FC2H7AsO2%2Fc1-3%282%2C4%295%2Fh1-2H3%2C%28H%2C4%2C5%29, 3.0, 12.0, 1.35000002384186, 4.0, 0.0649999976158142, , 0.0, 0.0, 0.216999992728233, 0.0, 15.1141004562378, 1.0, 0.00422499980777502, 0.0, 0.0, 5.0
InChI%3D1S%2FCH3NO2%2Fc1-2%283%294%2Fh1H3, 2.0, 7.0, 1.24000000953674, 3.0, -0.280600011348724, , 0.0, 0.0, 0.34799998998642, 0.0, 8.30230045318604, 0.0, 0.0787363573908806, 0.0, 0.0, 4.0
InChI%3D1S%2FC12H11N3.C2H4O2%2Fc1-7-6-9-8-4-2-3-5-10%288%2914-12%289%2915-11%287%2913%3B1-2%283%294%2Fh2-6H%2C1H3%2C%28H3%2C13%2C14%2C15%29%3B1H3%2C%28H%2C3%2C4%29, 7.0, 35.0, 2.45000004768372, 20.0, -0.0904999971389771, , 6.0, 0.0, , , 35.451000213623, 3.0, 0.00819025002419949, 2.0, 10.0, 4.0
InChI%3D1S%2FC2H4N4%2Fc3-2-4-1-5-6-2%2Fh1H%2C%28H3%2C3%2C4%2C5%2C6%29, 5.0, 12.0, 1.24000000953674, 6.0, -0.884400010108948, , 0.0, 0.0, 0.347000002861023, 0.0, 18.7336006164551, 4.0, 0.782163381576538, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H11N5O2%2Fc1-8-7%2813%295-6%2812%283%2910-14%299-4-11%285%292%2Fh4H%2C1-3H3%2C%28H%2C8%2C13%29, 3.0, 25.0, 1.46000003814697, 14.0, -0.211600005626678, , 0.0, 3.0, -0.109999999403954, 0.0, 36.8414001464844, 2.0, 0.0447745583951473, 0.0, 5.0, 4.0
InChI%3D1S%2FC14H15N3%2Fc1-10-5-3-4-6-14%2810%2917-16-12-7-8-13%2815%2911%282%299-12%2Fh3-9H%2C15H2%2C1-2H3%2Fb17-16%2B, 15.0, 32.0, 2.67000007629395, 18.0, 0.534099996089935, , 12.0, 2.0, 5.08300018310547, 1.0, 15.226300239563, 1.0, 0.285262823104858, 0.0, 12.0, 2.0
InChI%3D1S%2FC19H17N3.ClH%2Fc20-16-7-1-13%282-8-16%2919%2814-3-9-17%2821%2910-4-14%2915-5-11-18%2822%2912-6-15%3B%2Fh1-12%2C20H%2C21-22H2%3B1H, 22.0, 41.0, 3.10999989509583, 24.0, -0.806599974632263, , 12.0, 2.0, 4.68300008773804, 0.0, 43.4127006530762, 3.0, 0.650603532791138, 0.0, 12.0, 0.0
InChI%3D1S%2FC7H5NO4%2Fc9-7%2810%295-1-3-6%284-2-5%298%2811%2912%2Fh1-4H%2C%28H%2C9%2C10%29, 12.0, 17.0, 1.67999994754791, 12.0, -0.286399990320206, , 6.0, 2.0, 1.91999995708466, 0.0, 10.1050996780396, 1.0, 0.0820249617099762, 0.0, 6.0, 3.0
InChI%3D1S%2FC8Cl4N2%2Fc9-5-3%281-13%296%2810%298%2812%297%2811%294%285%292-14, 10.0, 14.0, 1.67999994754791, 14.0, 3.0466001033783, , 6.0, 0.0, 1.87600004673004, 0.0, 34.8596000671387, 0.0, 9.28177165985107, 0.0, 6.0, 2.0
InChI%3D1S%2FC9H10N4S%2Fc10-7-3-1-6%282-4-7%298-5-14-9%2812-8%2913-11%2Fh1-5H%2C10-11H2%2C%28H%2C12%2C13%29, 14.0, 24.0, 1.89999997615814, 15.0, -1.17519998550415, , 11.0, 2.0, 1.28799998760223, 0.0, 20.5997009277344, 4.0, 1.38109505176544, 0.0, 11.0, 2.0
InChI%3D1S%2FC7H10N2%2Fc1-5-2-3-6%288%294-7%285%299%2Fh2-4H%2C8-9H2%2C1H3, 8.0, 19.0, 2.00999999046326, 9.0, -0.857800006866455, , 6.0, 0.0, 0.84799998998642, 0.0, 13.9462995529175, 2.0, 0.735820829868317, 0.0, 6.0, 0.0
InChI%3D1S%2FC6H8N2.2ClH%2Fc7-5-3-1-2-4-6%285%298%3B%3B%2Fh1-4H%2C7-8H2%3B2%2A1H, 8.0, 20.0, 1.67999994754791, 8.0, -1.49979996681213, , 6.0, 0.0, 1.75999999046326, 0.0, 8.44419956207275, 2.0, 2.24940013885498, 0.0, 6.0, 0.0
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, 7.0, 40.0, 2.77999997138977, 18.0, 1.59029996395111, , 6.0, 6.0, 3.74799990653992, 0.0, 45.9565010070801, 1.0, 2.52905416488647, 5.0, 6.0, 10.0
InChI%3D1S%2FC12H14N4.4ClH%2Fc13-9-3-1-7%285-11%289%2915%298-2-4-10%2814%2912%2816%296-8%3B%3B%3B%3B%2Fh1-6H%2C13-16H2%3B4%2A1H, 16.0, 38.0, 1.89999997615814, 17.0, -2.99959993362427, , 12.0, 1.0, 2.68799996376038, 0.0, 16.8883991241455, 4.0, 8.99760055541992, 0.0, 12.0, 0.0
InChI%3D1S%2FC9H6O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-6H, 9.0, 19.0, 2.23000001907349, 12.0, 0.00609999988228083, , 6.0, 0.0, 2.45099997520447, 0.0, 15.7062997817993, 0.0, 3.72100003005471e-05, 0.0, 6.0, 0.0
InChI%3D1S%2FC4H10N2O3%2Fc1-6%285-9%292-4%288%293-7%2Fh4%2C7-8H%2C2-3H2%2C1H3, 3.0, 19.0, 1.35000002384186, 8.0, -0.959299981594086, , 0.0, 4.0, -1.65600001811981, 0.0, 32.3053016662598, 2.0, 0.920256495475769, 3.0, 0.0, 9.0
InChI%3D1S%2FC14H12FNO%2Fc1-10%2817%2916-14-8-4-12%285-9-14%2911-2-6-13%2815%297-3-11%2Fh2-9H%2C1H3%2C%28H%2C16%2C17%29, 15.0, 29.0, 2.67000007629395, 18.0, 0.407999992370605, , 12.0, 2.0, 4.97399997711182, 0.0, 14.7733001708984, 1.0, 0.166464000940323, 2.0, 12.0, 4.0
InChI%3D1S%2FC6H7ClN2%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3H%2C8-9H2, 8.0, 16.0, 1.78999996185303, 9.0, -0.755500018596649, , 6.0, 0.0, 0.832000017166138, 0.0, 14.0598001480103, 2.0, 0.570780277252197, 0.0, 6.0, 0.0
InChI%3D1S%2FC18H15N3O%2Fc1-21%2820-22%2916-10-7-14%288-11-16%296-9-15-12-13-19-18-5-3-2-4-17%2815%2918%2Fh2-13H%2C1H3, 21.0, 37.0, 3.0, 24.0, 0.456299990415573, , 16.0, 4.0, 5.81799983978271, 1.0, 24.672399520874, 0.0, 0.208209693431854, 2.0, 17.0, 4.0
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, 17.0, 56.0, 3.44000005722046, 32.0, -0.501500010490417, , 15.0, 8.0, 4.95800018310547, 0.0, 55.8894996643066, 3.0, 0.251502245664597, 7.0, 16.0, 11.0
InChI%3D1S%2FC9H10N4O4%2Fc1-6-5-12%289%2814%2911-6%2910-4-7-2-3-8%2817-7%2913%2815%2916%2Fh2-4%2C6H%2C5H2%2C1H3%2C%28H%2C11%2C14%29%2Fb10-4%2B, 14.0, 27.0, 1.57000005245209, 18.0, -0.409000009298325, , 5.0, 3.0, 2.05599999427795, 0.0, 36.9487991333008, 1.0, 0.167281001806259, 0.0, 5.0, 2.0
InChI%3D1S%2FC2H2ClF3%2Fc3-1-2%284%2C5%296%2Fh1H2, 0.0, 8.0, 1.24000000953674, 5.0, 1.85399997234344, , 0.0, 1.0, 2.40000009536743, 0.0, 16.7623996734619, 0.0, 3.43731594085693, 2.0, 0.0, 6.0
InChI%3D1S%2FC6H9NO6.3Na.H2O%2Fc8-4%289%291-7%282-5%2810%2911%293-6%2812%2913%3B%3B%3B%3B%2Fh1-3H2%2C%28H%2C8%2C9%29%28H%2C10%2C11%29%28H%2C12%2C13%29%3B%3B%3B%3B1H2%2Fq%3B3%2A%2B1%3B%2Fp-3, 3.0, 25.0, 0.910000026226044, 12.0, , , 0.0, 6.0, -3.70099997520447, 0.0, , 1.0, , 2.0, 0.0, 13.0
InChI%3D1S%2FH4N2.H2O4S%2Fc1-2%3B1-5%282%2C3%294%2Fh1-2H2%3B%28H2%2C1%2C2%2C3%2C4%29, 5.0, 13.0, 0.689999997615814, 5.0, -1.84879994392395, , 0.0, 0.0, -3.92799997329712, 0.0, 23.7653999328613, 4.0, 3.41806149482727, 0.0, 0.0, 5.0
InChI%3D1S%2FC18H16N2O7S2.2Na%2Fc1-10-3-6-15%2811%282%297-10%2919-20-17-14-5-4-13%2828%2822%2C23%2924%298-12%2814%299-16%2818%2817%2921%2929%2825%2C26%2927%3B%3B%2Fh3-9%2C21H%2C1-2H3%2C%28H%2C22%2C23%2C24%29%28H%2C25%2C26%2C27%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb20-19%2B%3B%3B, 27.0, 45.0, 2.00999999046326, 31.0, , , 16.0, 4.0, 4.11800003051758, 0.0, , 1.0, , 0.0, 17.0, 3.0
InChI%3D1S%2FC8H8N4O4%2Fc13-8-9-3-4-11%288%2910-5-6-1-2-7%2816-6%2912%2814%2915%2Fh1-2%2C5H%2C3-4H2%2C%28H%2C9%2C13%29, 14.0, 24.0, 1.46000003814697, 17.0, -0.510399997234344, , 5.0, 3.0, 1.52999997138977, 0.0, 32.2709999084473, 1.0, 0.260508149862289, 0.0, 5.0, 2.0
InChI%3D1S%2FC4H6O2%2Fc1-3-6-4%282%295%2Fh3H%2C1H2%2C2H3, 5.0, 12.0, 1.67999994754791, 5.0, 0.10530000180006, , 0.0, 2.0, 0.694000005722046, 0.0, 21.1049995422363, 0.0, 0.0110880900174379, 2.0, 0.0, 6.0
InChI%3D1S%2FC9H12N2O2%2Fc1-2-13-8-5-3-7%284-6-8%2911-9%2810%2912%2Fh3-6H%2C2H2%2C1H3%2C%28H3%2C10%2C11%2C12%29, 11.0, 25.0, 2.00999999046326, 13.0, 0.124099999666214, , 6.0, 4.0, 2.53900003433228, 0.0, 22.5870990753174, 3.0, 0.0154008101671934, 2.0, 6.0, 4.0
InChI%3D1S%2FC22H32O2%2Fc1-17%289-7-10-18%282%2914-16-24-20%284%2923%2912-13-21-19%283%2911-8-15-22%2821%2C5%296%2Fh7%2C9-10%2C12-14H%2C8%2C11%2C15-16H2%2C1-6H3, 10.0, 56.0, 3.66000008583069, 24.0, 4.16400003433228, , 0.0, 7.0, 6.89799976348877, 1.0, 105.91429901123, 0.0, 17.3388957977295, 9.0, 0.0, 15.0
InChI%3D1S%2FC7H8O3%2Fc1-10-6-4-2-3-5%288%297%286%299%2Fh2-4%2C8-9H%2C1H3, 9.0, 18.0, 1.89999997615814, 10.0, -0.972400009632111, , 6.0, 1.0, 0.855000019073486, 0.0, 12.4449996948242, 2.0, 0.945561766624451, 0.0, 6.0, 2.0
InChI%3D1S%2FC9H10N4O3S%2Fc1-12%282%2911-9-10-6%285-17-9%297-3-4-8%2816-7%2913%2814%2915%2Fh3-5H%2C1-2H3%2C%28H%2C10%2C11%29, 15.0, 27.0, 1.57000005245209, 18.0, 0.187299996614456, , 10.0, 4.0, 1.76800000667572, 0.0, 29.889799118042, 1.0, 0.0350812897086143, 0.0, 10.0, 4.0
InChI%3D1S%2FC6H5N2O2.H3N%2Fc9-7-8%2810%296-4-2-1-3-5-6%3B%2Fh1-5H%3B1H3%2Fq-1%3B%2Fp%2B1, 10.0, 20.0, 1.57000005245209, 10.0, -2.35179996490479, , 6.0, 2.0, 1.77799999713898, 0.0, 8.65709972381592, 1.0, 5.53096342086792, 0.0, 6.0, 4.0
InChI%3D1S%2FC8H10%2Fc1-7-4-3-5-8%282%296-7%2Fh3-6H%2C1-2H3, 6.0, 18.0, 2.33999991416931, 8.0, 1.28400003910065, , 6.0, 0.0, 4.70800018310547, 0.0, 11.0041999816895, 0.0, 1.64865601062775, 0.0, 6.0, 0.0
InChI%3D1S%2F2C3H7NS2.Zn%2Fc2%2A1-4%282%293%285%296%3B%2Fh2%2A1-2H3%2C%28H%2C5%2C6%29%3B%2Fq%3B%3B%2B2%2Fp-2, 4.0, 25.0, 1.35000002384186, 10.0, , , 0.0, 2.0, 0.741999983787537, 0.0, , 0.0, , 0.0, 0.0, 6.0
InChI%3D1S%2FC13H28N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-13-15%282%2914-16%2Fh3-13H2%2C1-2H3, 3.0, 44.0, 2.55999994277954, 15.0, -2.82859992980957, , 0.0, 12.0, 5.6269998550415, 2.0, 54.0806999206543, 0.0, 8.00097751617432, 12.0, 0.0, 16.0
InChI%3D1S%2FC3H3N%2Fc1-2-3-4%2Fh2H%2C1H2, 4.0, 7.0, 1.67999994754791, 3.0, 0.635500013828278, , 0.0, 0.0, 0.319999992847443, 0.0, 16.2707004547119, 0.0, 0.403860241174698, 3.0, 0.0, 4.0
InChI%3D1S%2FC2H5N5O3%2Fc1-6%285-8%292%283%294-7%289%2910%2Fh1H3%2C%28H2%2C3%2C4%29, 9.0, 15.0, 0.800000011920929, 9.0, -0.0163000002503395, , 0.0, 4.0, 0.47299998998642, 0.0, 25.9393005371094, 2.0, 0.00026569000328891, 0.0, 0.0, 10.0
InChI%3D1S%2FC6H12N2OS2%2Fc1-4-8%287-9%295%282%2911-6%283%2910-4%2Fh4-6H%2C1-3H3, 3.0, 23.0, 1.57000005245209, 11.0, 2.48729991912842, , 0.0, 1.0, 1.8289999961853, 0.0, 49.611499786377, 0.0, 6.18666124343872, 0.0, 0.0, 2.0
InChI%3D1S%2FC10H15N3O2%2Fc1-13%2812-15%297-3-5-10%2814%299-4-2-6-11-8-9%2Fh2%2C4%2C6%2C8%2C10%2C14H%2C3%2C5%2C7H2%2C1H3, 6.0, 30.0, 2.00999999046326, 15.0, -1.08659994602203, , 6.0, 6.0, 0.648000001907349, 0.0, 30.8516998291016, 1.0, 1.18069958686829, 4.0, 6.0, 9.0
InChI%3D1S%2FC9H7N3O4S%2Fc1-5%2813%2910-9-11-6%284-17-9%297-2-3-8%2816-7%2912%2814%2915%2Fh2-4H%2C1H3%2C%28H%2C10%2C11%2C13%29, 16.0, 24.0, 1.57000005245209, 18.0, 0.318199992179871, , 10.0, 3.0, 1.75300002098083, 0.0, 26.1991996765137, 1.0, 0.101251237094402, 2.0, 10.0, 4.0
InChI%3D1S%2FC3H8N2O%2Fc1-3-4-5%282%296%2Fh3H2%2C1-2H3, 3.0, 14.0, 1.46000003814697, 5.0, -0.640100002288818, , 0.0, 1.0, 0.488999992609024, 0.0, 19.1630992889404, 0.0, 0.409728020429611, 2.0, 0.0, 6.0
InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H, 7.0, 13.0, 1.46000003814697, 12.0, 3.26119995117188, , 6.0, 0.0, 2.31299996376038, 0.0, 30.642599105835, 1.0, 10.635425567627, 0.0, 6.0, 0.0
InChI%3D1S%2FC10H13N5O3S%2Fc11-10-13-8-7%289%2819%2914-10%2912-3-15%288%296-1-4%2817%295%282-16%2918-6%2Fh3-6%2C16-17H%2C1-2H2%2C%28H3%2C11%2C13%2C14%2C19%29%2Ft4-%2C5%3F%2C6%2B%2Fm0%2Fs1, 4.0, 34.0, 1.57000005245209, 21.0, -1.1327999830246, , 0.0, 2.0, -0.122000001370907, 0.0, 50.312198638916, 6.0, 1.28323578834534, 0.0, 5.0, 2.0
InChI%3D1S%2FC6H7N3O%2Fc1-9%288-10%296-4-2-3-5-7-6%2Fh2-5H%2C1H3, 9.0, 17.0, 1.67999994754791, 10.0, -0.0115000000223517, , 6.0, 2.0, 1.16100001335144, 0.0, 14.3537998199463, 0.0, 0.000132250002934597, 0.0, 6.0, 4.0
InChI%3D1S%2FC19H30O5%2Fc1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18%2823-15-24-19%2912-16%2817%296-4-2%2Fh12-13H%2C3-11%2C14-15H2%2C1-2H3, 8.0, 54.0, 3.0, 25.0, -1.3944000005722, , 6.0, 13.0, 3.76500010490417, 1.0, 66.0001983642578, 0.0, 1.94435131549835, 4.0, 6.0, 12.0
InChI%3D1S%2FC4H8N2O2%2Fc7-4-1-2-6%283-4%295-8%2Fh4%2C7H%2C1-3H2, 3.0, 16.0, 1.46000003814697, 8.0, -0.889299988746643, , 0.0, 1.0, -0.569999992847443, 0.0, 26.9556007385254, 1.0, 0.790854513645172, 0.0, 0.0, 2.0
InChI%3D1S%2FC3H9AsO%2Fc1-4%282%2C3%295%2Fh1-3H3, 1.0, 14.0, 1.57000005245209, 4.0, 0.283600002527237, , 0.0, 0.0, 0.40200001001358, 0.0, 18.5330009460449, 0.0, 0.0804289579391479, 0.0, 0.0, 5.0
InChI%3D1S%2FC15H11NO2%2Fc1-9%2817%2916-10-6-7-12-11-4-2-3-5-13%2811%2915%2818%2914%2812%298-10%2Fh2-8H%2C1H3%2C%28H%2C16%2C17%29, 17.0, 29.0, 2.77999997138977, 20.0, -0.335500001907349, , 12.0, 1.0, 4.04500007629395, 0.0, 19.2467994689941, 1.0, 0.112560249865055, 2.0, 12.0, 4.0
InChI%3D1S%2FC10H14N2O2%2Fc1-8%2812%282%2911-14%2910%2813%299-6-4-3-5-7-9%2Fh3-8%2C10%2C13H%2C1-2H3, 6.0, 28.0, 2.11999988555908, 14.0, -0.52130001783371, , 6.0, 4.0, 2.4210000038147, 0.0, 29.6128997802734, 1.0, 0.271753698587418, 3.0, 6.0, 8.0
InChI%3D1S%2FC9H4F3N3O4S%2Fc10-9%2811%2C12%297%2816%2914-8-13-4%283-20-8%295-1-2-6%2819-5%2915%2817%2918%2Fh1-3H%2C%28H%2C13%2C14%2C16%29, 16.0, 24.0, 1.24000000953674, 21.0, 1.40639996528625, , 10.0, 4.0, 2.45199990272522, 0.0, 27.209400177002, 1.0, 1.97796094417572, 2.0, 10.0, 7.0
InChI%3D1S%2FC23H31NO2.ClH%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%3B%2Fh7-16%2C18%2C22H%2C6%2C17H2%2C1-5H3%3B1H%2Ft18-%2C22-%3B%2Fm0.%2Fs1, 6.0, 59.0, 3.54999995231628, 27.0, -0.456999987363815, , 12.0, 9.0, 9.10599994659424, 1.0, 54.9981994628906, 0.0, 0.208848997950554, 7.0, 12.0, 14.0
InChI%3D1S%2FC3H6FN3O2%2Fc4-1-2-7%286-9%293%285%298%2Fh1-2H2%2C%28H2%2C5%2C8%29, 6.0, 15.0, 1.12999999523163, 8.0, 0.825900018215179, , 0.0, 4.0, 0.479000002145767, 0.0, 27.4314994812012, 2.0, 0.682110786437988, 2.0, 0.0, 9.0
InChI%3D1S%2FC2H3F%2Fc1-2-3%2Fh2H%2C1H2, 2.0, 6.0, 1.57000005245209, 2.0, 0.543099999427795, , 0.0, 0.0, 1.08800005912781, 0.0, 10.1890001296997, 0.0, 0.294957607984543, 0.0, 0.0, 3.0
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, 9.0, 42.0, 2.55999994277954, 26.0, 0.670799970626831, , 12.0, 5.0, 1.09800004959106, 0.0, 39.5131988525391, 2.0, 0.449972629547119, 0.0, 16.0, 3.0
InChI%3D1S%2FC2H2F4%2Fc3-1-2%284%2C5%296%2Fh1H2, 0.0, 8.0, 1.24000000953674, 5.0, 1.58940005302429, , 0.0, 1.0, 2.26300001144409, 0.0, 12.0193004608154, 0.0, 2.52619242668152, 2.0, 0.0, 6.0
InChI%3D1S%2FC9H8O4%2Fc10-7-3-1-6%285-8%287%2911%292-4-9%2812%2913%2Fh1-5%2C10-11H%2C%28H%2C12%2C13%29%2Fb4-2%2B, 13.0, 21.0, 2.00999999046326, 13.0, -0.799300014972687, , 6.0, 2.0, 1.14100003242493, 0.0, 22.5919990539551, 3.0, 0.638880491256714, 3.0, 6.0, 5.0
InChI%3D1S%2FC9H18N3OP%2Fc1-7-4-10%287%2914%2813%2C11-5-8%2811%292%2912-6-9%2812%293%2Fh7-9H%2C4-6H2%2C1-3H3, 5.0, 32.0, 1.89999997615814, 16.0, -1.69229996204376, , 0.0, 3.0, 0.188999995589256, 0.0, 56.4845008850098, 0.0, 2.86387920379639, 0.0, 0.0, 1.0
InChI%3D1S%2FC12Br10O%2Fc13-1-3%2815%297%2819%2911%288%2820%294%281%2916%2923-12-9%2821%295%2817%292%2814%296%2818%2910%2812%2922, 13.0, 23.0, 1.57000005245209, 24.0, 8.73390007019043, , 12.0, 2.0, 9.02400016784668, 1.0, 87.6100997924805, 0.0, 76.281005859375, 0.0, 12.0, 0.0
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, 7.0, 32.0, 2.33999991416931, 19.0, 1.23710000514984, , 6.0, 4.0, 3.59400010108948, 0.0, 44.3660011291504, 1.0, 1.53041636943817, 3.0, 6.0, 7.0
InChI%3D1S%2FC5H11NO2%2Fc1-3-5%284-2%296%287%298%2Fh5H%2C3-4H2%2C1-2H3, 2.0, 19.0, 1.67999994754791, 7.0, -0.682500004768372, , 0.0, 3.0, 1.442999958992, 0.0, 23.8108997344971, 0.0, 0.465806245803833, 5.0, 0.0, 8.0
InChI%3D1S%2FC7H9N.ClH%2Fc1-6-3-2-4-7%288%295-6%3B%2Fh2-5H%2C8H2%2C1H3%3B1H, 7.0, 19.0, 2.00999999046326, 8.0, -0.107900001108646, , 6.0, 0.0, 2.81200003623962, 0.0, 9.72420024871826, 1.0, 0.0116424104198813, 0.0, 6.0, 0.0
InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2, 0.0, 11.0, 1.46000003814697, 5.0, 2.2056999206543, , 0.0, 2.0, 2.37899994850159, 0.0, 29.6690998077393, 0.0, 4.8651123046875, 3.0, 0.0, 6.0
InChI%3D1S%2FC4H6O%2Fc1-2-3-4-5%2Fh2-4H%2C1H3%2Fb3-2-, 4.0, 11.0, 1.78999996185303, 4.0, 0.608200013637543, , 0.0, 1.0, 0.816999971866608, 0.0, 22.2698993682861, 0.0, 0.369907230138779, 4.0, 0.0, 5.0
InChI%3D1S%2FC6H6ClN.ClH%2Fc7-4-6-2-1-3-8-5-6%3B%2Fh1-3%2C5H%2C4H2%3B1H, 6.0, 16.0, 1.78999996185303, 8.0, 0.755900025367737, , 6.0, 1.0, 2.3659999370575, 0.0, 10.3277997970581, 0.0, 0.571384787559509, 0.0, 6.0, 2.0
InChI%3D1S%2FC4H8N2S4.Zn%2Fc7-3%288%295-1-2-6-4%289%2910%3B%2Fh1-2H2%2C%28H2%2C5%2C7%2C8%29%28H2%2C6%2C9%2C10%29%3B%2Fq%3B%2B2%2Fp-2, 4.0, 17.0, 1.12999999523163, 9.0, , , 0.0, 3.0, 0.0500000007450581, 0.0, , 0.0, , 2.0, 0.0, 10.0
InChI%3D1S%2FC18H16N2O7S2.2Na%2Fc1-10-7-11%282%2916%2828%2822%2C23%2924%298-14%2810%2919-20-15-9-17%2829%2825%2C26%2927%2912-5-3-4-6-13%2812%2918%2815%2921%3B%3B%2Fh3-9%2C21H%2C1-2H3%2C%28H%2C22%2C23%2C24%29%28H%2C25%2C26%2C27%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb20-19%2B%3B%3B, 27.0, 45.0, 2.00999999046326, 31.0, , , 16.0, 4.0, 2.83100008964539, 0.0, , 1.0, , 0.0, 17.0, 3.0
InChI%3D1S%2FC15H10O7%2Fc16-7-4-10%2819%2912-11%285-7%2922-15%2814%2821%2913%2812%2920%296-1-2-8%2817%299%2818%293-6%2Fh1-5%2C16-19%2C21H, 11.0, 34.0, 2.33999991416931, 24.0, -2.92689990997314, , 12.0, 1.0, 0.0280000008642673, 0.0, 26.5088005065918, 5.0, 8.56674385070801, 0.0, 12.0, 0.0
InChI%3D1S%2FC8H8N2O2%2Fc1-10%289-12%298%2811%297-5-3-2-4-6-7%2Fh2-6H%2C1H3, 11.0, 20.0, 1.89999997615814, 12.0, -0.135000005364418, , 6.0, 3.0, 2.46199989318848, 0.0, 19.2952995300293, 0.0, 0.0182249993085861, 0.0, 6.0, 6.0
InChI%3D1S%2FC8H14O4%2Fc1-5-4-8%2811-6%282%299%2912-7%283%2910-5%2Fh5%2C7-8H%2C4H2%2C1-3H3, 3.0, 26.0, 1.89999997615814, 12.0, -0.0710000023245811, , 0.0, 2.0, 1.24000000953674, 0.0, 38.7957992553711, 0.0, 0.00504099996760488, 0.0, 0.0, 4.0
InChI%3D1S%2FC14H14ClN3O2S%2Fc1-8-4-3-5-10%289%288%292%2916-12-6-11%2815%2917-14%2818-12%2921-7-13%2819%2920%2Fh3-6H%2C7H2%2C1-2H3%2C%28H%2C19%2C20%29%28H%2C16%2C17%2C18%29, 9.0, 39.0, 2.23000001907349, 22.0, 1.95510005950928, , 6.0, 4.0, 2.97399997711182, 0.0, 59.7943992614746, 3.0, 3.82241606712341, 2.0, 6.0, 5.0
InChI%3D1S%2FC9H14O%2Fc1-7-4-8%2810%296-9%282%2C3%295-7%2Fh4H%2C5-6H2%2C1-3H3, 4.0, 24.0, 2.33999991416931, 10.0, 1.94889998435974, , 0.0, 0.0, 1.98199999332428, 0.0, 42.6464004516602, 0.0, 3.79821109771729, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H6O3%2Fc8-5-1-2-6-7%283-5%2910-4-9-6%2Fh1-3%2C8H%2C4H2, 9.0, 16.0, 1.89999997615814, 11.0, -0.763000011444092, , 6.0, 0.0, 0.871999979019165, 0.0, 10.0367002487183, 1.0, 0.582168996334076, 0.0, 6.0, 0.0
InChI%3D1S%2FC7H15N3O%2Fc1-6-4-10%288-11%295-7%282%299%286%293%2Fh6-7H%2C4-5H2%2C1-3H3, 3.0, 26.0, 1.78999996185303, 11.0, 0.0266999993473291, , 0.0, 1.0, 0.517000019550323, 0.0, 45.269401550293, 0.0, 0.000712890003342181, 0.0, 0.0, 2.0
InChI%3D1S%2FC7H7NO3%2Fc1-11-7-5-3-2-4-6%287%298%289%2910%2Fh2-5H%2C1H3, 10.0, 18.0, 1.78999996185303, 11.0, -0.0983999967575073, , 6.0, 2.0, 2.23900008201599, 0.0, 10.2016000747681, 0.0, 0.00968256033957005, 0.0, 6.0, 2.0
InChI%3D1S%2FC6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299, 6.0, 12.0, 1.46000003814697, 12.0, 4.4657998085022, , 6.0, 0.0, 3.37199997901917, 0.0, 33.6935997009277, 0.0, 19.9433689117432, 0.0, 6.0, 0.0
InChI%3D1S%2FC12H11NO2%2Fc1-13-12%2814%2915-11-8-4-6-9-5-2-3-7-10%289%2911%2Fh2-8H%2C1H3%2C%28H%2C13%2C14%29, 14.0, 26.0, 2.45000004768372, 16.0, 0.235200002789497, , 10.0, 2.0, 4.6729998588562, 0.0, 15.2441997528076, 1.0, 0.0553190410137177, 0.0, 11.0, 5.0
InChI%3D1S%2FC5H11Cl2NO%2Fc1-8%289%2C4-2-6%295-3-7%2Fh2-5H2%2C1H3, 1.0, 20.0, 1.57000005245209, 8.0, 0.829299986362457, , 0.0, 4.0, 0.703000009059906, 0.0, 36.5657997131348, 0.0, 0.687738478183746, 2.0, 0.0, 9.0
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, 7.0, 38.0, 2.45000004768372, 19.0, 1.11759996414185, , 6.0, 9.0, 4.29199981689453, 0.0, 52.5234985351562, 1.0, 1.24902975559235, 4.0, 6.0, 7.0
InChI%3D1S%2FC4H6N2O2%2Fc7-5-6-3-1-2-4-8-6%2Fh1-2H%2C3-4H2, 4.0, 14.0, 1.46000003814697, 8.0, 0.223100006580353, , 0.0, 1.0, 0.449000000953674, 0.0, 30.0191993713379, 0.0, 0.0497736111283302, 0.0, 0.0, 1.0
InChI%3D1S%2FC15H10F3NO%2Fc16-15%2817%2C18%2914%2820%2919-11-5-6-13-10%288-11%297-9-3-1-2-4-12%289%2913%2Fh1-6%2C8H%2C7H2%2C%28H%2C19%2C20%29, 15.0, 30.0, 2.55999994277954, 22.0, 0.91949999332428, , 12.0, 3.0, 5.91900014877319, 1.0, 18.4771003723145, 1.0, 0.845480263233185, 2.0, 12.0, 7.0
InChI%3D1S%2FC24H31FO6%2Fc1-20%282%2930-19-10-16-15-6-5-13-9-14%2827%297-8-21%2813%2C3%2923%2815%2C25%2917%2828%2911-22%2816%2C4%2924%2819%2C31-20%2918%2829%2912-26%2Fh7-9%2C15-17%2C19%2C26%2C28H%2C5-6%2C10-12H2%2C1-4H3%2Ft15-%2C16-%2C17-%2C19%2B%2C21-%2C22-%2C23%3F%2C24%3F%2Fm0%2Fs1, 6.0, 62.0, 3.32999992370605, 35.0, -0.659900009632111, , 0.0, 2.0, 1.22399997711182, 0.0, 110.515899658203, 2.0, 0.435468018054962, 2.0, 0.0, 4.0
InChI%3D1S%2FC21H27N5O2S.3ClH%2Fc1-15-4-5-16%2811-23-15%2910-17-12-24-21%2825-20%2817%2927%2922-8-9-29-14-19-7-6-18%2828-19%2913-26%282%293%3B%3B%3B%2Fh4-7%2C11-12H%2C8-10%2C13-14H2%2C1-3H3%2C%28H2%2C22%2C24%2C25%2C27%29%3B3%2A1H, 6.0, 66.0, 2.55999994277954, 31.0, 0.145099997520447, , 11.0, 9.0, 4.61899995803833, 0.0, 77.3098983764648, 3.0, 0.0210540108382702, 2.0, 11.0, 5.0
InChI%3D1S%2FC14H8O5%2Fc15-8-5-9%2816%2914%2819%2911-10%288%2912%2817%296-3-1-2-4-7%286%2913%2811%2918%2Fh1-5%2C15-16%2C19H, 19.0, 27.0, 2.45000004768372, 21.0, -1.90849995613098, , 12.0, 0.0, 1.19200003147125, 0.0, 18.385799407959, 3.0, 3.64237213134766, 0.0, 12.0, 0.0
InChI%3D1S%2FC17H12O6%2Fc1-20-10-6-11-14%288-4-5-21-17%288%2922-11%2915-13%2810%297-2-3-9%2818%2912%287%2916%2819%2923-15%2Fh4-6%2C8%2C17H%2C2-3H2%2C1H3, 11.0, 37.0, 2.67000007629395, 27.0, -0.830600023269653, , 6.0, 1.0, 0.700999975204468, 0.0, 53.9277992248535, 0.0, 0.68989634513855, 0.0, 6.0, 2.0
InChI%3D1S%2FC12H14O4%2Fc1-2-9%2813-5-11-7-15-11%294-10%283-1%2914-6-12-8-16-12%2Fh1-4%2C11-12H%2C5-8H2, 8.0, 30.0, 2.33999991416931, 18.0, -0.670799970626831, , 6.0, 6.0, 1.182000041008, 0.0, 32.1209983825684, 0.0, 0.449972629547119, 0.0, 6.0, 2.0
InChI%3D1S%2FC6H5Cl%2Fc7-6-4-2-1-3-5-6%2Fh1-5H, 6.0, 12.0, 2.00999999046326, 7.0, 0.744300007820129, , 6.0, 0.0, 3.1029999256134, 0.0, 5.61560010910034, 0.0, 0.553982496261597, 0.0, 6.0, 0.0
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, 11.0, 26.0, 2.33999991416931, 18.0, -0.199799999594688, , 6.0, 1.0, 1.43499994277954, 0.0, 24.6411991119385, 0.0, 0.0399200394749641, 0.0, 10.0, 2.0
InChI%3D1S%2FC9H6N2O2%2Fc12-11%2813%298-5-1-3-7-4-2-6-10-9%287%298%2Fh1-6H, 13.0, 19.0, 2.00999999046326, 14.0, -0.0465999990701675, , 10.0, 1.0, 2.7039999961853, 0.0, 2.88579988479614, 0.0, 0.00217155995778739, 0.0, 11.0, 3.0
InChI%3D1S%2FC9H15Br6O4P%2Fc10-1-7%2813%294-17-20%2816%2C18-5-8%2814%292-11%2919-6-9%2815%293-12%2Fh7-9H%2C1-6H2, 5.0, 35.0, 1.24000000953674, 19.0, 5.15250015258789, , 0.0, 12.0, 5.55000019073486, 2.0, 101.070198059082, 0.0, 26.5482559204102, 3.0, 0.0, 20.0
InChI%3D1S%2FC8H8%2Fc1-2-8-6-4-3-5-7-8%2Fh2-7H%2C1H2, 8.0, 16.0, 2.33999991416931, 8.0, 0.707499980926514, , 6.0, 1.0, 4.9539999961853, 0.0, 10.1471996307373, 0.0, 0.500556230545044, 2.0, 6.0, 2.0
InChI%3D1S%2FC32H40BrN5O5.CH4O3S%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%3B1-5%282%2C3%294%2Fh6%2C8-9%2C13%2C16-18%2C23-25%2C34%2C42H%2C7%2C10-12%2C14-15H2%2C1-5H3%2C%28H%2C35%2C39%29%3B1H3%2C%28H%2C2%2C3%2C4%29%2Ft18-%2C23-%2C24%2B%2C25%2B%2C31-%2C32%2B%3B%2Fm1.%2Fs1, 9.0, 91.0, 3.44000005722046, 53.0, 0.0458999983966351, , 6.0, 5.0, , , 142.875106811523, 3.0, 0.0021068099886179, 3.0, 10.0, 5.0
InChI%3D1S%2FC21H16%2Fc1-13-6-7-15-12-20-17-5-3-2-4-14%2817%298-9-18%2820%2919-11-10-16%2813%2921%2815%2919%2Fh2-9%2C12H%2C10-11H2%2C1H3, 18.0, 37.0, 3.76999998092651, 25.0, 0.766799986362457, , 18.0, 0.0, 10.3190002441406, 1.0, 15.2328996658325, 0.0, 0.58798223733902, 0.0, 21.0, 0.0
InChI%3D1S%2FC14H14N2.ClH%2Fc1-2-16-13-6-4-3-5-11%2813%2912-9-10%2815%297-8-14%2812%2916%3B%2Fh3-9H%2C2%2C15H2%2C1H3%3B1H, 14.0, 32.0, 2.67000007629395, 18.0, -0.38400000333786, , 12.0, 1.0, 4.01100015640259, 0.0, 17.1105995178223, 1.0, 0.147456005215645, 2.0, 15.0, 2.0
InChI%3D1S%2FC10H10O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh2%2C4-6H%2C1%2C3%2C7H2, 8.0, 22.0, 2.33999991416931, 13.0, 0.726000010967255, , 6.0, 2.0, 2.9300000667572, 0.0, 22.3738994598389, 0.0, 0.527076005935669, 3.0, 6.0, 3.0
InChI%3D1S%2FC12H10ClNO%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C14H2, 14.0, 25.0, 2.45000004768372, 16.0, -0.159700006246567, , 12.0, 2.0, 3.75, 0.0, 11.4568004608154, 1.0, 0.0255040898919106, 0.0, 12.0, 0.0
InChI%3D1S%2FC8H18N2O2%2Fc1-2-3-6-10%289-12%297-4-5-8-11%2Fh11H%2C2-8H2%2C1H3, 3.0, 30.0, 1.89999997615814, 11.0, -1.63999998569489, , 0.0, 8.0, 1.08200001716614, 0.0, 42.9034004211426, 1.0, 2.68959999084473, 4.0, 0.0, 12.0
InChI%3D1S%2FC12H10O.Na%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%3B%2Fh1-9%2C13H%3B%2Fq%3B%2B1%2Fp-1, 13.0, 23.0, 2.55999994277954, 14.0, , , 12.0, 1.0, 5.06300020217896, 1.0, , 0.0, , 0.0, 12.0, 0.0
InChI%3D1S%2FC2Cl2%2Fc3-1-2-4, 2.0, 4.0, 1.46000003814697, 3.0, 0.971199989318848, , 0.0, 0.0, 1.98599994182587, 0.0, 20.1837997436523, 0.0, 0.94322943687439, 2.0, 0.0, 4.0
InChI%3D1S%2FC5H7N3OS%2Fc1-4-2-10-5%287-4%298-6-3-9%2Fh2-3H%2C1H3%2C%28H%2C6%2C9%29%28H%2C7%2C8%29, 9.0, 17.0, 1.46000003814697, 10.0, 0.459199994802475, , 5.0, 2.0, 1.99699997901917, 0.0, 26.6548004150391, 3.0, 0.210864633321762, 0.0, 5.0, 4.0
InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H, 13.0, 23.0, 2.67000007629395, 14.0, -0.460299998521805, , 12.0, 1.0, 5.06300020217896, 1.0, 2.56459999084473, 1.0, 0.211876094341278, 0.0, 12.0, 0.0
InChI%3D1S%2FC7H5NO3S.Na%2Fc9-7-5-3-1-2-4-6%285%2912%2810%2C11%298-7%3B%2Fh1-4H%2C%28H%2C8%2C9%29%3B%2Fq%3B%2B1%2Fp-1, 12.0, 17.0, 1.57000005245209, 13.0, , , 6.0, 0.0, 1.26800000667572, 0.0, , 0.0, , 0.0, 6.0, 0.0
InChI%3D1S%2FC9H12N2O%2Fc1-11%2810-12%298-7-9-5-3-2-4-6-9%2Fh2-6H%2C7-8H2%2C1H3, 6.0, 24.0, 2.11999988555908, 12.0, 0.255699992179871, , 6.0, 4.0, 3.41300010681152, 0.0, 23.5177993774414, 0.0, 0.0653824880719185, 2.0, 6.0, 6.0
InChI%3D1S%2FC12H24N2O%2Fc15-13-14-11-9-7-5-3-1-2-4-6-8-10-12-14%2Fh1-12H2, 3.0, 39.0, 2.45000004768372, 15.0, -2.97059988975525, , 0.0, 1.0, 4.59000015258789, 0.0, 47.1974983215332, 0.0, 8.82446479797363, 0.0, 0.0, 2.0
InChI%3D1S%2FC12H11N.ClH%2Fc13-12-8-6-11%287-9-12%2910-4-2-1-3-5-10%3B%2Fh1-9H%2C13H2%3B1H, 13.0, 26.0, 2.55999994277954, 14.0, -0.749899983406067, , 12.0, 1.0, 5.7189998626709, 1.0, 4.22209978103638, 1.0, 0.562350034713745, 0.0, 12.0, 0.0
InChI%3D1S%2FC14H16N2O2.2ClH%2Fc1-17-13-7-9%283-5-11%2813%2915%2910-4-6-12%2816%2914%288-10%2918-2%3B%3B%2Fh3-8H%2C15-16H2%2C1-2H3%3B2%2A1H, 16.0, 38.0, 2.33999991416931, 19.0, -1.60339999198914, , 12.0, 3.0, 2.83599996566772, 0.0, 23.0757999420166, 2.0, 2.57089161872864, 0.0, 12.0, 2.0
InChI%3D1S%2FC19H29N5O2%2Fc1-23-19%2821-18%2815-25%2922-23%2920-9-6-12-26-17-8-5-7-16%2813-17%2914-24-10-3-2-4-11-24%2Fh5%2C7-8%2C13%2C25H%2C2-4%2C6%2C9-12%2C14-15H2%2C1H3%2C%28H%2C20%2C21%2C22%29, 7.0, 57.0, 2.77999997138977, 28.0, -2.56319999694824, , 6.0, 8.0, 2.18799996376038, 0.0, 70.1884002685547, 3.0, 6.56999444961548, 3.0, 6.0, 5.0
InChI%3D1S%2FC9H13N%2Fc1-6-4-8%283%299%2810%295-7%286%292%2Fh4-5H%2C10H2%2C1-3H3, 7.0, 23.0, 2.33999991416931, 10.0, 1.17610001564026, , 6.0, 0.0, 2.73499989509583, 0.0, 20.7283992767334, 1.0, 1.38321125507355, 0.0, 6.0, 0.0
InChI%3D1S%2FC7H14N4O4%2Fc1-11%2810-15%297%2814%299-4-2-3-5%288%296%2812%2913%2Fh5H%2C2-4%2C8H2%2C1H3%2C%28H%2C9%2C14%29%28H%2C12%2C13%29%2Ft5-%2Fm0%2Fs1, 6.0, 29.0, 1.35000002384186, 14.0, -1.51010000705719, , 0.0, 7.0, -3.08800005912781, 0.0, 47.9440994262695, 3.0, 2.28040194511414, 5.0, 0.0, 15.0
InChI%3D1S%2FC7H7FN2O%2Fc1-10%289-11%297-4-2-6%288%293-5-7%2Fh2-5H%2C1H3, 9.0, 18.0, 1.78999996185303, 11.0, 0.468199998140335, , 6.0, 2.0, 2.01600003242493, 0.0, 15.226300239563, 0.0, 0.219211235642433, 0.0, 6.0, 4.0
InChI%3D1S%2FC5H10N2O3%2Fc1-3-7%286-9%295%288%2910-4-2%2Fh3-4H2%2C1-2H3, 6.0, 20.0, 1.46000003814697, 9.0, 1.01890003681183, , 0.0, 5.0, 0.732999980449677, 0.0, 34.9309005737305, 0.0, 1.03815722465515, 2.0, 0.0, 10.0
InChI%3D1S%2FC2H5N3O2%2Fc1-5%284-7%292%283%296%2Fh1H3%2C%28H2%2C3%2C6%29, 6.0, 12.0, 1.12999999523163, 6.0, 0.425300002098083, , 0.0, 2.0, -0.149000003933907, 0.0, 22.8313007354736, 2.0, 0.180880084633827, 0.0, 0.0, 7.0
InChI%3D1S%2FC15H15N3O2%2Fc1-10-3-8-15%2820%2914%289-10%2918-17-13-6-4-12%285-7-13%2916-11%282%2919%2Fh3-9%2C20H%2C1-2H3%2C%28H%2C16%2C19%29%2Fb18-17%2B, 18.0, 35.0, 2.55999994277954, 21.0, 0.109999999403954, , 12.0, 3.0, 4.87099981307983, 0.0, 21.9675006866455, 2.0, 0.0120999999344349, 2.0, 12.0, 4.0
InChI%3D1S%2FC4H10O3%2Fc5-1-3-7-4-2-6%2Fh5-6H%2C1-4H2, 0.0, 17.0, 1.57000005245209, 6.0, -1.02830004692078, , 0.0, 4.0, -1.39800000190735, 0.0, 25.5970993041992, 2.0, 1.05740094184875, 2.0, 0.0, 7.0
InChI%3D1S%2FC11H11N5.ClH%2Fc12-10-7-6-9%2811%2813%2914-10%2916-15-8-4-2-1-3-5-8%3B%2Fh1-7H%2C%28H4%2C12%2C13%2C14%29%3B1H%2Fb16-15%2B%3B, 8.0, 33.0, 2.00999999046326, 17.0, -1.50999999046326, , 6.0, 2.0, 3.54699993133545, 0.0, 26.8635005950928, 3.0, 2.28010010719299, 0.0, 6.0, 2.0
InChI%3D1S%2FC4H6N2S%2Fc1-6-3-2-5-4%286%297%2Fh2-3H%2C1H3%2C%28H%2C5%2C7%29, 0.0, 13.0, 1.57000005245209, 7.0, 0.626500010490417, , 0.0, 0.0, 0.552999973297119, 0.0, 17.2863006591797, 1.0, 0.392502248287201, 0.0, 5.0, 0.0
InChI%3D1S%2FH4N2%2Fc1-2%2Fh1-2H2, 2.0, 6.0, 1.24000000953674, 1.0, -1.19099998474121, , 0.0, 0.0, -2.16400003433228, 0.0, 10.5682001113892, 2.0, 1.4184809923172, 0.0, 0.0, 1.0
InChI%3D1S%2FC2F4%2Fc3-1%284%292%285%296, 2.0, 6.0, 1.24000000953674, 5.0, 1.28159999847412, , 0.0, 0.0, 1.182000041008, 0.0, 12.4054002761841, 0.0, 1.64249861240387, 2.0, 0.0, 6.0
InChI%3D1S%2FC14H15N3%2Fc1-17%282%2914-10-8-13%289-11-14%2916-15-12-6-4-3-5-7-12%2Fh3-11H%2C1-2H3%2Fb16-15%2B, 15.0, 32.0, 2.67000007629395, 18.0, 0.217800006270409, , 12.0, 3.0, 5.48799991607666, 1.0, 14.2913999557495, 0.0, 0.0474368408322334, 0.0, 12.0, 3.0
InChI%3D1S%2FC8H11N%2Fc1-9%282%298-6-4-3-5-7-8%2Fh3-7H%2C1-2H3, 7.0, 20.0, 2.23000001907349, 9.0, 0.217800006270409, , 6.0, 1.0, 2.60599994659424, 0.0, 14.2913999557495, 0.0, 0.0474368408322334, 0.0, 6.0, 3.0
InChI%3D1S%2FC6H3Cl3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H, 7.0, 13.0, 1.67999994754791, 10.0, 1.77260005474091, , 6.0, 0.0, 2.12100005149841, 0.0, 19.4113998413086, 1.0, 3.14211082458496, 0.0, 6.0, 0.0
InChI%3D1S%2FC10H10O3%2Fc1-2-8%2811%297-3-4-9-10%285-7%2913-6-12-9%2Fh2-5%2C8%2C11H%2C1%2C6H2, 8.0, 23.0, 2.23000001907349, 14.0, -0.105899997055531, , 6.0, 2.0, 1.53299999237061, 0.0, 23.5818004608154, 1.0, 0.011214810423553, 3.0, 6.0, 4.0
InChI%3D1S%2FC12H12N2S%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2, 7.0, 27.0, 2.45000004768372, 16.0, -0.909200012683868, , 12.0, 2.0, 2.95499992370605, 0.0, 16.237699508667, 2.0, 0.826644659042358, 0.0, 12.0, 0.0
InChI%3D1S%2FC4H7N3O2%2Fc1-2-3-7%286-9%294%285%298%2Fh2H%2C1%2C3H2%2C%28H2%2C5%2C8%29, 6.0, 16.0, 1.35000002384186, 8.0, 1.04209995269775, , 0.0, 4.0, 0.465999990701675, 0.0, 31.9939994812012, 2.0, 1.08597242832184, 3.0, 0.0, 9.0
InChI%3D1S%2FC4H7F3N2O%2Fc1-2-9%288-10%293-4%285%2C6%297%2Fh2-3H2%2C1H3, 3.0, 17.0, 1.24000000953674, 9.0, 1.34860002994537, , 0.0, 4.0, 1.57299995422363, 0.0, 29.7943992614746, 0.0, 1.81872200965881, 2.0, 0.0, 10.0
InChI%3D1S%2FC9H13N.ClH%2Fc1-6-4-8%283%299%2810%295-7%286%292%3B%2Fh4-5H%2C10H2%2C1-3H3%3B1H, 7.0, 25.0, 2.23000001907349, 10.0, 1.17610001564026, , 6.0, 0.0, 3.24699997901917, 0.0, 20.7283992767334, 1.0, 1.38321125507355, 0.0, 6.0, 0.0
InChI%3D1S%2FC9H10O2%2Fc1-2-4-8%285-3-1%2910-6-9-7-11-9%2Fh1-5%2C9H%2C6-7H2, 7.0, 21.0, 2.23000001907349, 12.0, -0.335399985313416, , 6.0, 3.0, 2.20000004768372, 0.0, 16.0604991912842, 0.0, 0.11249315738678, 0.0, 6.0, 2.0
InChI%3D1S%2FC13H11NO2%2Fc1-15-13-6-9-8-4-2-3-5-11%288%2916-12%289%297-10%2813%2914%2Fh2-7H%2C14H2%2C1H3, 15.0, 27.0, 2.55999994277954, 18.0, -0.955799996852875, , 12.0, 1.0, 2.58899998664856, 0.0, 13.1569995880127, 1.0, 0.913553655147552, 0.0, 15.0, 2.0
InChI%3D1S%2FC2H6N2O%2Fc1-4%282%293-5%2Fh1-2H3, 3.0, 11.0, 1.35000002384186, 4.0, 0.0908000022172928, , 0.0, 1.0, -0.275000005960464, 0.0, 20.050500869751, 0.0, 0.0082446401938796, 0.0, 0.0, 5.0
InChI%3D1S%2FC18H18Cl2N2O3%2Fc1-24-15-7-6-11%288-16%2815%2925-12-4-2-3-5-12%2918%2823%2922-17-13%2819%299-21-10-14%2817%2920%2Fh6-10%2C12H%2C2-5H2%2C1H3%2C%28H%2C21%2C22%2C23%29, 12.0, 47.0, 2.67000007629395, 27.0, -1.50639998912811, , 6.0, 5.0, 2.60500001907349, 0.0, 65.9250030517578, 1.0, 2.26924085617065, 0.0, 6.0, 3.0
InChI%3D1S%2FC14H19N3S.ClH%2Fc1-16%282%299-10-17%2812-13-6-5-11-18-13%2914-7-3-4-8-15-14%3B%2Fh3-8%2C11H%2C9-10%2C12H2%2C1-2H3%3B1H, 7.0, 39.0, 2.45000004768372, 19.0, 0.856400012969971, , 11.0, 6.0, 3.46199989318848, 0.0, 39.119499206543, 0.0, 0.733420968055725, 2.0, 11.0, 7.0
InChI%3D1S%2FC21H27NO7%2Fc1-6-15-11-13%282%2920%284%2C29-14%283%2923%2919%2825%2927-12-16-7-9-22%285%2910-8-17%2821%2816%2C22%2926%2928-18%2815%2924%2Fh6-7%2C11%2C13%2C17H%2C1%2C8-10%2C12H2%2C2-5H3%2Fb15-11%2B%2Ft13-%2C17%2B%2C20-%2C21%3F%2C22%3F%2Fm0%2Fs1, 7.0, 56.0, 2.89000010490417, 31.0, -1.14279997348785, , 0.0, 3.0, 0.328000009059906, 0.0, 97.6578979492188, 0.0, 1.30599188804626, 2.0, 0.0, 4.0
InChI%3D1S%2FCCl4%2Fc2-1%283%2C4%295, 0.0, 5.0, 1.12999999523163, 4.0, 3.58459997177124, , 0.0, 0.0, 2.86400008201599, 0.0, 26.8490009307861, 0.0, 12.8493576049805, 0.0, 0.0, 5.0
InChI%3D1S%2FC3H7NO2%2Fc1-2-6-3%284%295%2Fh2H2%2C1H3%2C%28H2%2C4%2C5%29, 4.0, 13.0, 1.46000003814697, 5.0, 0.821900010108948, , 0.0, 2.0, 0.920000016689301, 0.0, 19.8181991577148, 2.0, 0.675519585609436, 2.0, 0.0, 6.0
InChI%3D1S%2FC7H8N2O%2Fc1-9%288-10%297-5-3-2-4-6-7%2Fh2-6H%2C1H3, 9.0, 18.0, 1.89999997615814, 10.0, -0.0115000000223517, , 6.0, 2.0, 2.26799988746643, 0.0, 14.3537998199463, 0.0, 0.000132250002934597, 0.0, 6.0, 4.0
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, 6.0, 54.0, 3.22000002861023, 29.0, -0.857699990272522, , 0.0, 2.0, 1.02100002765656, 0.0, 97.1956024169922, 3.0, 0.735649287700653, 2.0, 0.0, 4.0
InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C8H%2C1H3, 8.0, 17.0, 2.00999999046326, 9.0, -0.512099981307983, , 6.0, 1.0, 1.38900005817413, 0.0, 9.88039970397949, 1.0, 0.262246400117874, 0.0, 6.0, 2.0
InChI%3D1S%2FC10H9N3O3%2Fc1-6-5-7%282%2912-10%2811-6%298-3-4-9%2816-8%2913%2814%2915%2Fh3-5H%2C1-2H3, 14.0, 25.0, 1.89999997615814, 17.0, 0.678300023078918, , 11.0, 2.0, 2.51799988746643, 0.0, 15.9699001312256, 0.0, 0.46009087562561, 0.0, 11.0, 2.0
InChI%3D1S%2FC5H7N3O2%2Fc1-4-6-3-5%287%284%292%298%289%2910%2Fh3H%2C1-2H3, 8.0, 17.0, 1.46000003814697, 10.0, 0.120200000703335, , 5.0, 1.0, 0.726000010967255, 0.0, 17.3791999816895, 1.0, 0.0144480401650071, 0.0, 5.0, 2.0
InChI%3D1S%2FC14H13N3O2S%2Fc1-19-13-7-9%2820%282%2918%293-4-10%2813%2914-16-11-5-6-15-8-12%2811%2917-14%2Fh3-8H%2C1-2H3%2C%28H%2C16%2C17%29, 9.0, 32.0, 2.33999991416931, 22.0, -0.470699995756149, , 12.0, 3.0, 0.686999976634979, 0.0, 22.1777000427246, 2.0, 0.22155849635601, 0.0, 16.0, 2.0
InChI%3D1S%2FC15H11NO2%2Fc1-8-6-7-11-12%2813%288%2916%2915%2818%2910-5-3-2-4-9%2810%2914%2811%2917%2Fh2-7H%2C16H2%2C1H3, 17.0, 29.0, 2.77999997138977, 20.0, -0.635500013828278, , 12.0, 0.0, 2.73399996757507, 0.0, 20.4162006378174, 1.0, 0.403860241174698, 0.0, 12.0, 0.0
InChI%3D1S%2FC3H8N2O%2Fc1-3-5%286%294-2%2Fh3H2%2C1-2H3, 3.0, 14.0, 1.46000003814697, 5.0, -0.640100002288818, , 0.0, 1.0, -0.0230000000447035, 0.0, 19.1630992889404, 0.0, 0.409728020429611, 2.0, 0.0, 6.0
InChI%3D1S%2FC6H4Cl2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H, 6.0, 12.0, 1.89999997615814, 8.0, 1.48860001564026, , 6.0, 0.0, 2.98799991607666, 0.0, 11.2312002182007, 0.0, 2.21592998504639, 0.0, 6.0, 0.0
InChI%3D1S%2FC2H5Br%2Fc1-2-3%2Fh2H2%2C1H3, 0.0, 8.0, 1.57000005245209, 2.0, 1.24150002002716, , 0.0, 0.0, 1.73599994182587, 0.0, 18.589599609375, 0.0, 1.54132223129272, 2.0, 0.0, 3.0
InChI%3D1S%2FC13H17N3O2%2Fc1-10-8-15%2814-18%299-11%282%2916%2810%2913%2817%2912-6-4-3-5-7-12%2Fh3-7%2C10-11H%2C8-9H2%2C1-2H3, 9.0, 35.0, 2.33999991416931, 19.0, -0.723599970340729, , 6.0, 3.0, 3.05200004577637, 0.0, 44.1161994934082, 0.0, 0.523596942424774, 0.0, 6.0, 2.0
InChI%3D1S%2FCd.H2O4S%2Fc%3B1-5%282%2C3%294%2Fh%3B%28H2%2C1%2C2%2C3%2C4%29%2Fq%2B2%3B%2Fp-2, 5.0, 6.0, 0.800000011920929, 4.0, , , 0.0, 0.0, -1.76400005817413, 0.0, , 0.0, , 0.0, 0.0, 5.0
InChI%3D1S%2FC9H8N4O2S%2Fc10-12-9-11-8%285-16-9%296-1-3-7%284-2-6%2913%2814%2915%2Fh1-5H%2C10H2%2C%28H%2C11%2C12%29, 16.0, 24.0, 1.67999994754791, 17.0, -0.47189998626709, , 11.0, 3.0, 2.20499992370605, 0.0, 19.2633991241455, 3.0, 0.222689613699913, 0.0, 11.0, 2.0
InChI%3D1S%2F2Cr.2Na.7H2O%2Fh%3B%3B%3B%3B7%2A1H2%2Fq%3B%3B2%2A%2B1%3B%3B%3B%3B%3B%3B%3B%2Fp-2, 0.0, 23.0, 0.25, 0.0, , , 0.0, 0.0, -3.26900005340576, 0.0, , 5.0, , 0.0, 0.0, 0.0
InChI%3D1S%2FC4H6%2Fc1-3-4-2%2Fh3-4H%2C1-2H2, 4.0, 10.0, 1.89999997615814, 3.0, 1.41499996185303, , 0.0, 1.0, 1.9559999704361, 0.0, 20.2943992614746, 0.0, 2.00222492218018, 4.0, 0.0, 4.0
InChI%3D1S%2FC17H23N3O.C4H4O4%2Fc1-19%282%2912-13-20%2817-6-4-5-11-18-17%2914-15-7-9-16%2821-3%2910-8-15%3B5-3%286%291-2-4%287%298%2Fh4-11H%2C12-14H2%2C1-3H3%3B1-2H%2C%28H%2C5%2C6%29%28H%2C7%2C8%29%2Fb%3B2-1-, 8.0, 56.0, 2.89000010490417, 29.0, -0.0111999996006489, , 12.0, 9.0, 2.76699995994568, 0.0, 63.2487983703613, 2.0, 0.000125439997646026, 4.0, 12.0, 8.0
InChI%3D1S%2FC6H6ClN.ClH%2Fc7-5-1-3-6%288%294-2-5%3B%2Fh1-4H%2C8H2%3B1H, 7.0, 16.0, 1.78999996185303, 8.0, -0.00559999980032444, , 6.0, 0.0, 2.37400007247925, 0.0, 9.83769989013672, 1.0, 3.13599994115066e-05, 0.0, 6.0, 0.0
InChI%3D1S%2FC12H2Cl6O2%2Fc13-3-1-5-11%289%2817%297%283%2915%2920-12-6%2819-5%292-4%2814%298%2816%2910%2812%2918%2Fh1-2H, 14.0, 22.0, 1.89999997615814, 22.0, 4.15759992599487, , 12.0, 0.0, 4.35200023651123, 0.0, 36.9318008422852, 0.0, 17.2856369018555, 0.0, 12.0, 0.0
InChI%3D1S%2FC8H14O2%2Fc1-4-5-10-8%289%296-7%282%293%2Fh4%2C7H%2C1%2C5-6H2%2C2-3H3, 3.0, 24.0, 2.11999988555908, 9.0, 1.23570001125336, , 0.0, 5.0, 2.18600010871887, 0.0, 39.9681015014648, 0.0, 1.52695453166962, 4.0, 0.0, 10.0
InChI%3D1S%2FCH4N2O2%2Fc1-2-3%284%295%2Fh2H%2C1H3, 4.0, 9.0, 1.12999999523163, 4.0, -0.455599993467331, , 0.0, 1.0, 0.671999990940094, 0.0, 11.0825004577637, 1.0, 0.207571357488632, 0.0, 0.0, 5.0
InChI%3D1S%2F2C2H4O2.4H2O.3Pb%2Fc2%2A1-2%283%294%3B%3B%3B%3B%3B%3B%3B%2Fh2%2A1H3%2C%28H%2C3%2C4%29%3B4%2A1H2%3B%3B%3B%2Fq%3B%3B%3B%3B%3B%3B3%2A%2B2%2Fp-6, 3.0, 25.0, 0.689999997615814, 6.0, , , 0.0, 0.0, -2.99000000953674, 0.0, , 0.0, , 0.0, 0.0, 4.0
InChI%3D1S%2FC8H8O%2Fc1-2-4-7%285-3-1%298-6-9-8%2Fh1-5%2C8H%2C6H2, 6.0, 17.0, 2.23000001907349, 10.0, -0.192900002002716, , 6.0, 1.0, 2.75500011444092, 0.0, 9.72920036315918, 0.0, 0.0372104085981846, 0.0, 6.0, 0.0
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, 8.0, 35.0, 2.33999991416931, 16.0, -0.806500017642975, , 6.0, 4.0, 0.800999999046326, 0.0, 38.6044006347656, 4.0, 0.650442242622375, 2.0, 6.0, 8.0
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, 11.0, 32.0, 2.23000001907349, 21.0, -0.573499977588654, , 6.0, 2.0, 0.569999992847443, 0.0, 41.2597007751465, 1.0, 0.328902244567871, 2.0, 6.0, 2.0
InChI%3D1S%2FC31H22N6O9S.Cu.2Na%2Fc38-26-12-9-21%2815-23%2826%2931%2842%2943%2934-32-19-5-1-17%282-6-19%2918-3-7-20%288-4-18%2933-37-29-28%2840%2914-11-24%2830%2829%2941%2935-36-25-16-22%2847%2844%2C45%2946%2910-13-27%2825%2939%3B%3B%3B%2Fh1-16%2C38-41H%2C%28H%2C42%2C43%29%28H%2C44%2C45%2C46%29%3B%3B%3B%2Fq%3B%2B2%3B2%2A%2B1%2Fp-4%2Fb34-32%3F%2C36-35%2B%2C37-33%3F%3B%3B%3B, 47.0, 68.0, 2.77999997138977, 51.0, , , 30.0, 9.0, 7.86100006103516, 2.0, , 2.0, , 0.0, 30.0, 3.0
InChI%3D1S%2FC6H13N3O2%2Fc1-2-3-4-5-9%288-11%296%287%2910%2Fh2-5H2%2C1H3%2C%28H2%2C7%2C10%29, 6.0, 24.0, 1.57000005245209, 10.0, -0.478100001811981, , 0.0, 6.0, 1.76999998092651, 0.0, 36.4803009033203, 2.0, 0.228579610586166, 5.0, 0.0, 11.0
InChI%3D1S%2FC2Cl6%2Fc3-1%284%2C5%292%286%2C7%298, 0.0, 8.0, 1.01999998092651, 7.0, 3.37639999389648, , 0.0, 1.0, 3.88199996948242, 0.0, 41.8779983520508, 0.0, 11.4000768661499, 2.0, 0.0, 8.0
InChI%3D1S%2FC6H3N3O5%2Fc10-6-8-7-5%2814-6%293-1-2-4%2813-3%299%2811%2912%2Fh1-2H%2C%28H%2C8%2C10%29, 14.0, 17.0, 1.24000000953674, 15.0, -0.815100014209747, , 10.0, 2.0, 0.672999978065491, 0.0, 8.68859958648682, 1.0, 0.664388000965118, 0.0, 10.0, 2.0
InChI%3D1S%2FC15H13NO2%2Fc1-10%2817%2916%2818%2913-6-7-15-12%289-13%298-11-4-2-3-5-14%2811%2915%2Fh2-7%2C9%2C18H%2C8H2%2C1H3, 16.0, 31.0, 2.77999997138977, 20.0, -0.629000008106232, , 12.0, 2.0, 4.67600011825562, 0.0, 20.0314998626709, 1.0, 0.395640999078751, 2.0, 12.0, 5.0
InChI%3D1S%2FC15H18N2%2Fc1-10-7-12%283-5-14%2810%2916%299-13-4-6-15%2817%2911%282%298-13%2Fh3-8H%2C9%2C16-17H2%2C1-2H3, 7.0, 35.0, 2.89000010490417, 18.0, 0.24040000140667, , 12.0, 2.0, 3.91499996185303, 0.0, 24.0494003295898, 2.0, 0.0577921606600285, 0.0, 12.0, 0.0
InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H, 6.0, 11.0, 1.89999997615814, 6.0, 0.0, , 6.0, 0.0, 1.39999997615814, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0
InChI%3D1S%2FC6H14N2O3%2Fc1-5%289%293-8%287-11%294-6%282%2910%2Fh5-6%2C9-10H%2C3-4H2%2C1-2H3, 3.0, 25.0, 1.57000005245209, 10.0, -1.00940001010895, , 0.0, 5.0, -0.773000001907349, 0.0, 41.8039016723633, 2.0, 1.01888835430145, 3.0, 0.0, 11.0
InChI%3D1S%2FC6H14N2O4%2Fc1-5%2810%292-8%287-12%293-6%2811%294-9%2Fh5-6%2C9-11H%2C2-4H2%2C1H3, 3.0, 26.0, 1.46000003814697, 11.0, -1.50940001010895, , 0.0, 6.0, -1.90499997138977, 0.0, 43.181999206543, 3.0, 2.2782883644104, 3.0, 0.0, 12.0
InChI%3D1S%2FC7H10N2OS%2Fc1-2-3-5-4-6%2810%299-7%2811%298-5%2Fh4H%2C2-3H2%2C1H3%2C%28H2%2C8%2C9%2C10%2C11%29, 7.0, 21.0, 1.78999996185303, 11.0, 0.0696000009775162, , 6.0, 2.0, 1.85300004482269, 0.0, 24.5182991027832, 1.0, 0.00484415981918573, 3.0, 6.0, 3.0
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, 3.0, 54.0, 3.44000005722046, 27.0, 0.554099977016449, , 0.0, 2.0, 3.77500009536743, 0.0, 91.5783004760742, 0.0, 0.3070268034935, 2.0, 0.0, 4.0
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, 0.0, 24.0, 1.46000003814697, 11.0, -0.241999998688698, , 0.0, 5.0, -0.272000014781952, 0.0, 50.472599029541, 4.0, 0.0585639998316765, 6.0, 0.0, 12.0
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, 9.0, 35.0, 2.33999991416931, 16.0, -1.30949997901917, , 6.0, 6.0, 2.76900005340576, 0.0, 39.6456985473633, 3.0, 1.71479022502899, 0.0, 6.0, 6.0
InChI%3D1S%2FC8H18N2O%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh3-8H2%2C1-2H3, 3.0, 29.0, 2.00999999046326, 10.0, -1.13999998569489, , 0.0, 7.0, 2.42499995231628, 0.0, 41.5252990722656, 0.0, 1.29960000514984, 4.0, 0.0, 11.0
InChI%3D1S%2FC12H19N3O.ClH%2Fc1-9%282%2915-12%2816%2911-6-4-10%285-7-11%298-14-13-3%3B%2Fh4-7%2C9%2C13-14H%2C8H2%2C1-3H3%2C%28H%2C15%2C16%29%3B1H, 9.0, 37.0, 2.23000001907349, 16.0, -1.30949997901917, , 6.0, 6.0, 3.28099989891052, 0.0, 39.6456985473633, 3.0, 1.71479022502899, 0.0, 6.0, 6.0
InChI%3D1S%2FC4H6O2%2Fc1-3-2-4%285%296-3%2Fh3H%2C2H2%2C1H3, 3.0, 12.0, 1.67999994754791, 6.0, -0.0553999990224838, , 0.0, 0.0, 0.321000009775162, 0.0, 20.1375007629395, 0.0, 0.00306916004046798, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H8%2Fc1-7-5-3-2-4-6-7%2Fh2-6H%2C1H3, 6.0, 15.0, 2.23000001907349, 7.0, 0.642000019550323, , 6.0, 0.0, 4.38500022888184, 0.0, 5.50209999084473, 0.0, 0.412164002656937, 0.0, 6.0, 0.0
InChI%3D1S%2FC9H8O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-4H%2C5-6H2, 9.0, 19.0, 2.23000001907349, 12.0, 0.00609999988228083, , 6.0, 0.0, 2.45099997520447, 0.0, 15.7062997817993, 0.0, 3.72100003005471e-05, 0.0, 6.0, 0.0
InChI%3D1S%2FC4H8N2O2%2Fc7-5-6-3-1-2-4-8-6%2Fh1-4H2, 4.0, 16.0, 1.46000003814697, 8.0, -0.820699989795685, , 0.0, 1.0, 0.564999997615814, 0.0, 25.5237998962402, 0.0, 0.673548519611359, 0.0, 0.0, 2.0
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, 10.0, 42.0, 2.11999988555908, 27.0, -1.33819997310638, , 0.0, 4.0, -0.252000004053116, 0.0, 81.9337005615234, 4.0, 1.79077923297882, 0.0, 0.0, 5.0
InChI%3D1S%2FC9H14N8S3%2Fc10-6-7%2817-20-16-6%2913-1-2-18-3-5-4-19-9%2814-5%2915-8%2811%2912%2Fh4H%2C1-3H2%2C%28H2%2C10%2C16%29%28H%2C13%2C17%29%28H4%2C11%2C12%2C14%2C15%29, 9.0, 34.0, 1.24000000953674, 21.0, 0.166800007224083, , 10.0, 8.0, 0.998000025749207, 0.0, 56.238899230957, 8.0, 0.0278222393244505, 2.0, 10.0, 5.0
InChI%3D1S%2FC5H8%2Fc1-4-5%282%293%2Fh4H%2C1-2H2%2C3H3, 4.0, 13.0, 2.00999999046326, 4.0, 1.8614000082016, , 0.0, 1.0, 2.34800004959106, 0.0, 24.5764007568359, 0.0, 3.46480989456177, 4.0, 0.0, 5.0
InChI%3D1S%2FC10H16%2Fc1-8%282%2910-6-4-9%283%295-7-10%2Fh4%2C10H%2C1%2C5-7H2%2C2-3H3%2Ft10-%2Fm0%2Fs1, 2.0, 26.0, 2.55999994277954, 10.0, 2.14240002632141, , 0.0, 1.0, 3.72900009155273, 0.0, 46.0152015686035, 0.0, 4.58987760543823, 0.0, 0.0, 2.0
InChI%3D1S%2FC12H4Br6%2Fc13-7-3-11%2817%299%2815%291-5%287%296-2-10%2816%2912%2818%294-8%286%2914%2Fh1-4H, 12.0, 22.0, 2.11999988555908, 19.0, 5.33279991149902, , 12.0, 1.0, 7.36399984359741, 1.0, 51.5946006774902, 0.0, 28.4387550354004, 0.0, 12.0, 0.0
InChI%3D1S%2F2C8H16O2.Ca%2Fc2%2A1-3-5-7%286-4-2%298%289%2910%3B%2Fh2%2A7H%2C3-6H2%2C1-2H3%2C%28H%2C9%2C10%29%3B%2Fq%3B%3B%2B2%2Fp-2, 2.0, 51.0, 2.67000007629395, 18.0, , , 0.0, 10.0, 4.52199983596802, 0.0, , 0.0, , 7.0, 0.0, 10.0
InChI%3D1S%2FC13H12F2N6O%2Fc14-10-1-2-11%2812%2815%293-10%2913%2822%2C4-20-8-16-6-18-20%295-21-9-17-7-19-21%2Fh1-3%2C6-9%2C22H%2C4-5H2, 6.0, 34.0, 1.89999997615814, 24.0, 0.263799995183945, , 6.0, 5.0, 0.767000019550323, 0.0, 21.8330001831055, 5.0, 0.0695904418826103, 3.0, 16.0, 4.0
InChI%3D1S%2FC3H8N2O2%2Fc1-5%284-7%292-3-6%2Fh6H%2C2-3H2%2C1H3, 3.0, 15.0, 1.35000002384186, 6.0, -0.448599994182587, , 0.0, 3.0, -0.984000027179718, 0.0, 26.3428001403809, 1.0, 0.201241955161095, 2.0, 0.0, 7.0
InChI%3D1S%2FC6H12N3PS%2Fc11-10%287-1-2-7%2C8-3-4-8%299-5-6-9%2Fh1-6H2, 5.0, 23.0, 1.57000005245209, 13.0, -0.761099994182587, , 0.0, 3.0, 0.759999990463257, 0.0, 50.7221984863281, 0.0, 0.579273223876953, 0.0, 0.0, 2.0
InChI%3D1S%2FC14H7Br2NO2%2Fc15-8-5-9%2816%2912%2817%2911-10%288%2913%2818%296-3-1-2-4-7%286%2914%2811%2919%2Fh1-5H%2C17H2, 17.0, 26.0, 2.45000004768372, 21.0, 0.500100016593933, , 12.0, 0.0, 3.49000000953674, 0.0, 32.1123008728027, 1.0, 0.250100016593933, 0.0, 12.0, 0.0
InChI%3D1S%2FC7H10N2O.H2O4S%2Fc1-10-7-3-2-5%288%294-6%287%299%3B1-5%282%2C3%294%2Fh2-4H%2C8-9H2%2C1H3%3B%28H2%2C1%2C2%2C3%2C4%29, 9.0, 27.0, 1.35000002384186, 14.0, -2.20939993858337, , 6.0, 1.0, , , 28.9571990966797, 4.0, 4.88144826889038, 0.0, 6.0, 5.0
InChI%3D1S%2FH2SSe%2Fc1-2%2Fh2H2, 1.0, 2.0, 1.24000000953674, 1.0, 0.875800013542175, , 0.0, 0.0, -0.148000001907349, 0.0, 9.43379974365234, 0.0, 0.767025649547577, 0.0, 0.0, 1.0
InChI%3D1S%2F2ClH.Hg%2Fh2%2A1H%3B%2Fq%3B%3B%2B2%2Fp-2, 0.0, 3.0, 1.12999999523163, 0.0, , , 0.0, 0.0, 1.02400004863739, 0.0, , 0.0, , 0.0, 0.0, 0.0
InChI%3D1S%2FC39H59Cl2NO2%2Fc1-27%282%297-6-8-28%283%2934-15-16-35-33-14-11-30-26-32%2817-19-38%2830%2C4%2936%2833%2918-20-39%2834%2C35%295%2944-37%2843%2925-29-9-12-31%2813-10-29%2942%2823-21-40%2924-22-41%2Fh9-13%2C27-28%2C32-36H%2C6-8%2C14-26H2%2C1-5H3%2Ft28-%2C32%2B%2C33%3F%2C34-%2C35%2B%2C36%2B%2C38%3F%2C39%3F%2Fm1%2Fs1, 7.0, 103.0, 5.19999980926514, 48.0, 3.50699996948242, , 6.0, 14.0, 14.4919996261597, 2.0, 156.428894042969, 0.0, 12.2990493774414, 7.0, 6.0, 8.0
InChI%3D1S%2FC3H7NO%2Fc1-3%282%294-5%2Fh5H%2C1-2H3, 3.0, 12.0, 1.57000005245209, 4.0, -0.202099993824959, , 0.0, 0.0, 0.428000003099442, 0.0, 19.729700088501, 1.0, 0.0408444106578827, 0.0, 0.0, 5.0
InChI%3D1S%2FC2H3Cl2F%2Fc1-2%283%2C4%295%2Fh1H3, 0.0, 8.0, 1.35000002384186, 4.0, 1.83259999752045, , 0.0, 0.0, 2.33200001716614, 0.0, 21.3824996948242, 0.0, 3.35842275619507, 2.0, 0.0, 5.0
InChI%3D1S%2FC9H8Cl3NO2S%2Fc10-9%2811%2C12%2916-13-7%2814%295-3-1-2-4-6%285%298%2813%2915%2Fh1-2%2C5-6H%2C3-4H2, 5.0, 24.0, 1.67999994754791, 17.0, 3.23449993133545, , 0.0, 2.0, 2.26799988746643, 0.0, 68.1818008422852, 0.0, 10.4619903564453, 0.0, 0.0, 5.0
InChI%3D1S%2FC16H14O6%2Fc17-10-2-1-8-13-9-4-12%2819%2911%2818%293-7%289%295-16%2813%2C21%296-22-15%288%2914%2810%2920%2Fh1-4%2C13%2C17-21H%2C5-6H2%2Ft13-%2C16%3F%2Fm0%2Fs1, 9.0, 36.0, 2.55999994277954, 25.0, -2.40919995307922, , 12.0, 0.0, 0.503000020980835, 0.0, 29.9361991882324, 5.0, 5.80424451828003, 0.0, 12.0, 0.0
InChI%3D1S%2FC14H8O4%2Fc15-9-5-1-3-7-11%289%2914%2818%2912-8%2813%287%2917%294-2-6-10%2812%2916%2Fh1-6%2C15-16H, 18.0, 26.0, 2.55999994277954, 20.0, -1.4481999874115, , 12.0, 0.0, 1.30400002002716, 0.0, 15.8212003707886, 2.0, 2.09728312492371, 0.0, 12.0, 0.0
InChI%3D1S%2FC4H10O%2Fc1-4%282%2C3%295%2Fh5H%2C1-3H3, 0.0, 15.0, 1.78999996185303, 4.0, 0.573300004005432, , 0.0, 0.0, 0.800999999046326, 0.0, 22.0650997161865, 1.0, 0.328672885894775, 3.0, 0.0, 5.0
InChI%3D1S%2FC17H15NO2%2Fc1-11%2819%2918%2812%282%2920%2917-9-5-8-15-14-7-4-3-6-13%2814%2910-16%2815%2917%2Fh3-9H%2C10H2%2C1-2H3, 17.0, 35.0, 3.0, 22.0, -0.282299995422363, , 12.0, 3.0, 5.60099983215332, 1.0, 27.832799911499, 0.0, 0.0796932876110077, 2.0, 12.0, 7.0
InChI%3D1S%2FC7H15N3O2%2Fc1-2-3-4-5-6-10%289-12%297%288%2911%2Fh2-6H2%2C1H3%2C%28H2%2C8%2C11%29, 6.0, 27.0, 1.67999994754791, 11.0, -0.766099989414215, , 0.0, 7.0, 2.33899998664856, 0.0, 39.3918991088867, 2.0, 0.586909234523773, 6.0, 0.0, 12.0
InChI%3D1S%2FC6H14N2O%2Fc1-3-5-7-8%289%296-4-2%2Fh3-6H2%2C1-2H3, 3.0, 23.0, 1.78999996185303, 8.0, -1.43320000171661, , 0.0, 4.0, 0.949999988079071, 0.0, 30.6142997741699, 0.0, 2.05406212806702, 3.0, 0.0, 9.0
InChI%3D1S%2FC17H22N2%2Fc1-18%282%2916-9-5-14%286-10-16%2913-15-7-11-17%2812-8-15%2919%283%294%2Fh5-12H%2C13H2%2C1-4H3, 7.0, 41.0, 3.10999989509583, 20.0, 0.891799986362457, , 12.0, 4.0, 4.94899988174438, 0.0, 33.1837997436523, 0.0, 0.795307219028473, 0.0, 12.0, 3.0
InChI%3D1S%2FC10Cl12%2Fc11-1-2%2812%297%2817%294%2814%293%2813%2C5%281%2C15%299%287%2C19%2920%296%281%2C16%2910%2821%2C22%298%282%2C4%2918, 0.0, 22.0, 1.24000000953674, 26.0, 5.84999990463257, , 0.0, 0.0, 6.35799980163574, 1.0, 92.3588027954102, 0.0, 34.2224998474121, 0.0, 0.0, 0.0
InChI%3D1S%2FC5H8N2O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-2H%2C3-5H2, 3.0, 16.0, 1.67999994754791, 8.0, 0.089199997484684, , 0.0, 1.0, 0.501999974250793, 0.0, 31.3117008209229, 0.0, 0.00795663986355066, 0.0, 0.0, 2.0
InChI%3D1S%2FC11H17F3N6O%2Fc12-11%2813%2C14%297-17-10%2816%2918-9-4-6-20%2819-9%295-2-1-3-8%2815%2921%2Fh4%2C6H%2C1-3%2C5%2C7H2%2C%28H2%2C15%2C21%29%28H3%2C16%2C17%2C18%2C19%29, 7.0, 40.0, 1.57000005245209, 21.0, -0.522899985313416, , 0.0, 9.0, 1.34500002861023, 0.0, 64.0654983520508, 5.0, 0.273424416780472, 5.0, 0.0, 9.0
InChI%3D1S%2FC6H12N2O%2Fc1-6-4-2-3-5-8%286%297-9%2Fh6H%2C2-5H2%2C1H3%2Ft6-%2Fm1%2Fs1, 3.0, 21.0, 1.78999996185303, 9.0, -0.965300023555756, , 0.0, 1.0, 1.27799999713898, 0.0, 31.4006996154785, 0.0, 0.931804060935974, 0.0, 0.0, 2.0
InChI%3D1S%2FC8H12N2O3.Na%2Fc1-3-8%284-2%295%2811%299-7%2813%2910-6%288%2912%3B%2Fh3-4H2%2C1-2H3%2C%28H2%2C9%2C10%2C11%2C12%2C13%29%3B%2Fq%3B%2B1%2Fp-1, 8.0, 25.0, 1.67999994754791, 13.0, , , 0.0, 2.0, 1.42299997806549, 0.0, , 1.0, , 2.0, 0.0, 2.0
InChI%3D1S%2FC3H8N2O%2Fc1-3-5%282%294-6%2Fh3H2%2C1-2H3, 3.0, 14.0, 1.46000003814697, 5.0, 0.341199994087219, , 0.0, 2.0, 0.148000001907349, 0.0, 24.3442993164062, 0.0, 0.116417437791824, 0.0, 0.0, 6.0
InChI%3D1S%2FC27H50O6%2Fc1-4-7-10-13-16-19-25%2828%2931-22-24%2833-27%2830%2921-18-15-12-9-6-3%2923-32-26%2829%2920-17-14-11-8-5-2%2Fh24H%2C4-23H2%2C1-3H3, 3.0, 83.0, 3.76999998092651, 32.0, -4.3621997833252, , 0.0, 26.0, 9.63399982452393, 2.0, 106.715103149414, 0.0, 19.0287895202637, 8.0, 0.0, 33.0
InChI%3D1S%2FC39H41N3O6S2.Na%2Fc1-5-41%2827-29-9-7-11-37%2825-29%2949%2843%2C44%2945%2935-21-15-32%2816-22-35%2939%2831-13-19-34%2820-14-31%2940%283%294%2933-17-23-36%2824-18-33%2942%286-2%2928-30-10-8-12-38%2826-30%2950%2846%2C47%2948%3B%2Fh7-26H%2C5-6%2C27-28H2%2C1-4H3%2C%28H-%2C43%2C44%2C45%2C46%2C47%2C48%29%3B%2Fq%3B%2B1%2Fp-1, 22.0, 91.0, 4.42999982833862, 54.0, , , 24.0, 12.0, 7.35099983215332, 2.0, , 0.0, , 2.0, 24.0, 4.0
InChI%3D1S%2FC11H10N4.ClH%2Fc1-15-9-5-4-8-7%283-2-6-13-8%2910%289%2914-11%2815%2912%3B%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29%3B1H, 14.0, 27.0, 2.11999988555908, 17.0, -0.36719998717308, , 10.0, 0.0, 3.36400008201599, 0.0, 16.8964004516602, 2.0, 0.134835839271545, 0.0, 11.0, 0.0
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, 6.0, 65.0, 3.54999995231628, 35.0, -1.40409994125366, , 0.0, 4.0, 1.91400003433228, 0.0, 111.714698791504, 2.0, 1.97149682044983, 3.0, 0.0, 4.0
InChI%3D1S%2FC20H31NO6%2Fc1-6-13%284%2918%2823%2927-16-8-10-21-9-7-15%2817%2816%2921%2911-26-19%2824%2920%2825%2C12%282%293%2914%285%2922%2Fh6-7%2C12%2C14%2C16-17%2C22%2C25H%2C8-11H2%2C1-5H3%2Ft14%3F%2C16%3F%2C17-%2C20%3F%2Fm1%2Fs1, 5.0, 58.0, 2.89000010490417, 28.0, 0.471199989318848, , 0.0, 9.0, 0.904999971389771, 0.0, 99.7536010742188, 2.0, 0.222029432654381, 5.0, 0.0, 12.0
InChI%3D1S%2FC5H10N4O2%2Fc10-6-8-2-1-3-9%287-11%295-4-8%2Fh1-5H2, 3.0, 21.0, 1.35000002384186, 11.0, -0.469199985265732, , 0.0, 2.0, -0.153999999165535, 0.0, 39.0746002197266, 0.0, 0.220148637890816, 0.0, 0.0, 2.0
InChI%3D1S%2FC6H6O2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4%2C7-8H, 8.0, 14.0, 1.89999997615814, 8.0, -0.92059999704361, , 6.0, 0.0, 0.870000004768372, 0.0, 5.12919998168945, 2.0, 0.847504377365112, 0.0, 6.0, 0.0
InChI%3D1S%2FC9H11ClN2O%2Fc1-12%282%299%2813%2911-8-5-3-7%2810%294-6-8%2Fh3-6H%2C1-2H3%2C%28H%2C11%2C13%29, 10.0, 24.0, 2.00999999046326, 13.0, 0.321200013160706, , 6.0, 3.0, 1.91999995708466, 0.0, 26.9515991210938, 1.0, 0.103169441223145, 0.0, 6.0, 6.0
InChI%3D1S%2FC16H16N2O4S%2Fc1-11%2819%2917-13-3-7-15%288-4-13%2923%2821%2C22%2916-9-5-14%286-10-16%2918-12%282%2920%2Fh3-10H%2C1-2H3%2C%28H%2C17%2C19%29%28H%2C18%2C20%29, 21.0, 39.0, 2.45000004768372, 24.0, -0.568599998950958, , 12.0, 4.0, 2.95900011062622, 0.0, 36.4431991577148, 2.0, 0.32330596446991, 2.0, 12.0, 4.0
InChI%3D1S%2FC14H9Cl5%2Fc15-11-5-1-9%282-6-11%2913%2814%2817%2C18%2919%2910-3-7-12%2816%298-4-10%2Fh1-8%2C13H, 6.0, 28.0, 2.45000004768372, 20.0, 3.14249992370605, , 12.0, 3.0, 7.01999998092651, 1.0, 35.7430992126465, 0.0, 9.87530612945557, 2.0, 12.0, 5.0
InChI%3D1S%2FC4H10N2O3%2Fc7-3-1-6%285-9%292-4-8%2Fh7-8H%2C1-4H2, 3.0, 19.0, 1.35000002384186, 8.0, -0.987999975681305, , 0.0, 5.0, -1.692999958992, 0.0, 32.6351013183594, 2.0, 0.976144015789032, 2.0, 0.0, 9.0
InChI%3D1S%2F2C2H4O2.Pb%2Fc2%2A1-2%283%294%3B%2Fh2%2A1H3%2C%28H%2C3%2C4%29%3B%2Fq%3B%3B%2B2%2Fp-2, 3.0, 15.0, 1.35000002384186, 6.0, , , 0.0, 0.0, -1.12199997901917, 0.0, , 0.0, , 0.0, 0.0, 4.0
InChI%3D1S%2FC5H4O2%2Fc6-4-5-2-1-3-7-5%2Fh1-4H, 7.0, 11.0, 1.78999996185303, 7.0, -0.346500009298325, , 5.0, 1.0, 1.057000041008, 0.0, 7.91300010681152, 0.0, 0.120062246918678, 0.0, 5.0, 2.0
InChI%3D1S%2FC4H4N2O2%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29, 8.0, 12.0, 1.46000003814697, 8.0, -0.92059999704361, , 6.0, 0.0, -0.462000012397766, 0.0, 5.12919998168945, 2.0, 0.847504377365112, 0.0, 6.0, 0.0
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, 9.0, 31.0, 2.23000001907349, 18.0, 0.168699994683266, , 6.0, 2.0, 1.13199996948242, 0.0, 39.5200996398926, 1.0, 0.0284596905112267, 2.0, 6.0, 2.0
InChI%3D1S%2FC6H6O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C7-8H, 8.0, 14.0, 1.89999997615814, 8.0, -0.92059999704361, , 6.0, 0.0, 1.29900002479553, 0.0, 5.12919998168945, 2.0, 0.847504377365112, 0.0, 6.0, 0.0
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, 17.0, 29.0, 2.23000001907349, 18.0, -1.92499995231628, , 12.0, 2.0, 1.23300004005432, 0.0, 17.0858001708984, 2.0, 3.70562505722046, 0.0, 12.0, 2.0
InChI%3D1S%2FC14H12N4O3S%2Fc19-8-7-15-13-9-3-1-2-4-10%289%2916-14%2817-13%2911-5-6-12%2822-11%2918%2820%2921%2Fh1-6%2C19H%2C7-8H2%2C%28H%2C15%2C16%2C17%29, 10.0, 36.0, 2.11999988555908, 24.0, -0.882099986076355, , 11.0, 4.0, 2.60400009155273, 0.0, 37.657600402832, 3.0, 0.778100430965424, 2.0, 11.0, 4.0
InChI%3D1S%2FC3H3N3O2S%2Fc4-3-5-1-2%289-3%296%287%298%2Fh1H%2C%28H2%2C4%2C5%29, 3.0, 14.0, 1.12999999523163, 9.0, 0.174500003457069, , 0.0, 1.0, 0.790000021457672, 0.0, 27.300199508667, 2.0, 0.0304502490907907, 0.0, 0.0, 2.0
InChI%3D1S%2FC7H4N2O3S%2Fc10-9%2811%297-2-1-6%2812-7%295-3-13-4-8-5%2Fh1-4H, 13.0, 17.0, 1.57000005245209, 14.0, 0.389899998903275, , 10.0, 2.0, 1.74300003051758, 0.0, 12.2983999252319, 1.0, 0.152022004127502, 0.0, 10.0, 3.0
InChI%3D1S%2FC9H11N3O%2Fc13-11-12-6-2-4-9%2812%298-3-1-5-10-7-8%2Fh1%2C3%2C5%2C7%2C9H%2C2%2C4%2C6H2, 6.0, 24.0, 2.00999999046326, 14.0, -0.728600025177002, , 6.0, 2.0, 1.37600004673004, 0.0, 22.5904006958008, 0.0, 0.530857980251312, 0.0, 6.0, 2.0
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29, 10.0, 20.0, 2.00999999046326, 11.0, -0.532000005245209, , 6.0, 1.0, 1.66600000858307, 0.0, 16.4654006958008, 2.0, 0.28302401304245, 0.0, 6.0, 4.0
InChI%3D1S%2FC10H12O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh4-6H%2C2-3%2C7H2%2C1H3, 8.0, 24.0, 2.33999991416931, 13.0, -0.476999998092651, , 6.0, 2.0, 3.2960000038147, 0.0, 21.1478004455566, 0.0, 0.227529004216194, 3.0, 6.0, 3.0
InChI%3D1S%2FC4H10N2O%2Fc1-3-6%284-2%295-7%2Fh3-4H2%2C1-2H3, 3.0, 17.0, 1.57000005245209, 6.0, 0.591600000858307, , 0.0, 3.0, 0.570999979972839, 0.0, 28.6380996704102, 0.0, 0.349990546703339, 2.0, 0.0, 7.0
InChI%3D1S%2FC12H10N2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10H%2Fb14-13%2B, 14.0, 24.0, 2.55999994277954, 15.0, 0.0, , 12.0, 2.0, 6.09999990463257, 1.0, 0.0, 0.0, 0.0, 0.0, 12.0, 2.0
InChI%3D1S%2FC4H4N2OS%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29, 7.0, 12.0, 1.46000003814697, 8.0, 0.0507000014185905, , 6.0, 0.0, 0.428999990224838, 0.0, 11.256199836731, 1.0, 0.00257048988714814, 0.0, 6.0, 0.0
InChI%3D1S%2FC11H12N2O%2Fc1-9-8-11%2814%2913%2812%289%292%2910-6-4-3-5-7-10%2Fh3-8H%2C1-2H3, 10.0, 28.0, 2.33999991416931, 15.0, -0.483599990606308, , 6.0, 1.0, 2.00799989700317, 0.0, 29.8819999694824, 0.0, 0.233868956565857, 0.0, 6.0, 0.0
InChI%3D1S%2FC6H18N3OP%2Fc1-7%282%2911%2810%2C8%283%294%299%285%296%2Fh1-6H3, 5.0, 29.0, 1.57000005245209, 10.0, -1.11600005626678, , 0.0, 3.0, -0.560999989509583, 0.0, 48.6383018493652, 0.0, 1.2454559803009, 0.0, 0.0, 11.0
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, 28.0, 42.0, 2.33999991416931, 30.0, -1.63660001754761, , 18.0, 6.0, 4.29099988937378, 0.0, 20.925500869751, 3.0, 2.67845964431763, 0.0, 18.0, 4.0
InChI%3D1S%2FC2H3N3O%2Fc1-5%282-3%294-6%2Fh1H3, 5.0, 9.0, 1.24000000953674, 5.0, 0.123400002717972, , 0.0, 1.0, -0.479000002145767, 0.0, 21.0093994140625, 0.0, 0.015227559953928, 0.0, 0.0, 6.0
InChI%3D1S%2FC10H10N2%2Fc11-9-5-1-3-7-8%289%294-2-6-10%287%2912%2Fh1-6H%2C11-12H2, 12.0, 22.0, 2.33999991416931, 13.0, -1.49979996681213, , 10.0, 0.0, 1.76800000667572, 0.0, 8.44419956207275, 2.0, 2.24940013885498, 0.0, 11.0, 0.0
InChI%3D1S%2FC9H19N3O2%2Fc1-3-5-7-10-9%2813%2912%2811-14%298-6-4-2%2Fh3-8H2%2C1-2H3%2C%28H%2C10%2C13%29, 6.0, 33.0, 1.89999997615814, 13.0, -0.92739999294281, , 0.0, 8.0, 2.3529999256134, 0.0, 49.8160018920898, 1.0, 0.860070765018463, 4.0, 0.0, 14.0
InChI%3D1S%2FC11H13N5O4%2Fc1-15%282%297-12-11-14-13-9%2820-11%295-3-8-4-6-10%2819-8%2916%2817%2918%2Fh3-6H%2C7H2%2C1-2H3%2C%28H%2C12%2C14%29%2Fb5-3%2B, 10.0, 35.0, 1.67999994754791, 21.0, -0.83380001783371, , 5.0, 5.0, 2.2260000705719, 0.0, 49.9392013549805, 2.0, 0.695222437381744, 2.0, 5.0, 5.0
InChI%3D1S%2FC9H16N2O2S2%2Fc14-9%2810-1-5-12-6-2-10%2915-11-3-7-13-8-4-11%2Fh1-8H2, 3.0, 31.0, 1.78999996185303, 16.0, 1.17110002040863, , 0.0, 3.0, 0.188999995589256, 0.0, 67.0607986450195, 0.0, 1.37147521972656, 0.0, 0.0, 3.0
InChI%3D1S%2FC6H13NO2S%2Fc1-2-10-4-3-5%287%296%288%299%2Fh5H%2C2-4%2C7H2%2C1H3%2C%28H%2C8%2C9%29%2Ft5-%2Fm0%2Fs1, 3.0, 23.0, 1.67999994754791, 9.0, -0.479900002479553, , 0.0, 5.0, -1.49500000476837, 0.0, 40.1720008850098, 2.0, 0.230304002761841, 4.0, 0.0, 10.0
InChI%3D1S%2FCH4N2S%2Fc2-1%283%294%2Fh%28H4%2C2%2C3%2C4%29, 3.0, 8.0, 1.24000000953674, 3.0, 0.552799999713898, , 0.0, 0.0, 0.0670000016689301, 0.0, 17.391300201416, 2.0, 0.305587828159332, 0.0, 0.0, 4.0
InChI%3D1S%2FC5H6O2%2Fc6-4-5-2-1-3-7-5%2Fh1-3%2C6H%2C4H2, 5.0, 13.0, 1.78999996185303, 7.0, -0.602800011634827, , 5.0, 1.0, 0.382999986410141, 0.0, 8.89589977264404, 1.0, 0.363367825746536, 0.0, 5.0, 2.0
InChI%3D1S%2FC16H15NO2%2Fc17-15-11-5-4-10-14%2815%2916%2818%2919-12-6-9-13-7-2-1-3-8-13%2Fh1-11H%2C12%2C17H2%2Fb9-6%2B, 10.0, 34.0, 2.89000010490417, 20.0, -0.361600011587143, , 12.0, 5.0, 6.27099990844727, 1.0, 25.5445995330811, 1.0, 0.130754560232162, 3.0, 12.0, 6.0
InChI%3D1S%2FC6H9NO6%2Fc8-4%289%291-7%282-5%2810%2911%293-6%2812%2913%2Fh1-3H2%2C%28H%2C8%2C9%29%28H%2C10%2C11%29%28H%2C12%2C13%29, 3.0, 22.0, 1.35000002384186, 12.0, -1.31159996986389, , 0.0, 6.0, -1.79100000858307, 0.0, 38.2419013977051, 3.0, 1.72029459476471, 2.0, 0.0, 13.0
InChI%3D1S%2FC7H7NO2%2Fc1-6-2-4-7%285-3-6%298%289%2910%2Fh2-5H%2C1H3, 9.0, 17.0, 1.89999997615814, 10.0, 0.595399975776672, , 6.0, 1.0, 3.21700000762939, 0.0, 8.38790035247803, 0.0, 0.354501157999039, 0.0, 6.0, 2.0
InChI%3D1S%2FC15H23ClO4S%2Fc1-12%2820-21%2817%2919-10-9-16%2911-18-14-7-5-13%286-8-14%2915%282%2C3%294%2Fh5-8%2C12H%2C9-11H2%2C1-4H3, 7.0, 44.0, 2.45000004768372, 21.0, 1.7257000207901, , 6.0, 9.0, 3.91400003433228, 0.0, 61.6603012084961, 0.0, 2.97804045677185, 3.0, 6.0, 11.0
InChI%3D1S%2FC17H13N3O3%2Fc1-11-6-8-14%2815%2810-11%2920%2822%2923%2918-19-17-13-5-3-2-4-12%2813%297-9-16%2817%2921%2Fh2-10%2C21H%2C1H3%2Fb19-18%2B, 22.0, 36.0, 2.67000007629395, 25.0, 0.13510000705719, , 16.0, 3.0, 6.59000015258789, 1.0, 10.9525003433228, 1.0, 0.0182520095258951, 0.0, 17.0, 2.0
InChI%3D1S%2FC6H7ClN2%2Fc7-5-2-1-4%288%293-6%285%299%2Fh1-3H%2C8-9H2, 8.0, 16.0, 1.78999996185303, 9.0, -0.755500018596649, , 6.0, 0.0, 0.832000017166138, 0.0, 14.0598001480103, 2.0, 0.570780277252197, 0.0, 6.0, 0.0
InChI%3D1S%2FC11H9BrO4.Na%2Fc1-16-8-4-2-7%283-5-8%2911%2815%299%2812%296-10%2813%2914%3B%2Fh2-6H%2C1H3%2C%28H%2C13%2C14%29%3B%2Fq%3B%2B1%2Fp-1%2Fb9-6%2B%3B, 14.0, 25.0, 2.00999999046326, 16.0, , , 6.0, 4.0, 1.78699994087219, 0.0, , 0.0, , 4.0, 6.0, 8.0
InChI%3D1S%2FC4H9NO2%2Fc1-3-4%282%295%286%297%2Fh4H%2C3H2%2C1-2H3, 2.0, 16.0, 1.57000005245209, 6.0, -0.394499987363815, , 0.0, 2.0, 1.08500003814697, 0.0, 20.899299621582, 0.0, 0.155630245804787, 4.0, 0.0, 7.0
InChI%3D1S%2FC6H12N2O4%2Fc1-5%2810%292-8%287-12%293-6%2811%294-9%2Fh6%2C9%2C11H%2C2-4H2%2C1H3, 3.0, 24.0, 1.46000003814697, 11.0, -1.51730000972748, , 0.0, 6.0, -2.0090000629425, 0.0, 41.9410018920898, 2.0, 2.3021993637085, 3.0, 0.0, 12.0
InChI%3D1S%2FC10HCl11%2Fc11-2-1-3%2812%295%2814%294%281%2C13%2910%2820%2C21%297%282%2C16%298%285%2C17%296%282%2C15%299%283%2C18%2919%2Fh1H, 0.0, 22.0, 1.35000002384186, 25.0, 5.35629987716675, , 0.0, 0.0, 5.97900009155273, 1.0, 88.0130996704102, 0.0, 28.6899490356445, 0.0, 0.0, 0.0
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, 6.0, 31.0, 2.00999999046326, 17.0, 0.655499994754791, , 6.0, 7.0, 4.34600019454956, 0.0, 31.8826007843018, 4.0, 0.42968025803566, 3.0, 6.0, 11.0
InChI%3D1S%2FC4H8O2%2Fc1-2-6-4-3-5-1%2Fh1-4H2, 0.0, 14.0, 1.67999994754791, 6.0, -0.261799991130829, , 0.0, 0.0, -0.379999995231628, 0.0, 22.0869998931885, 0.0, 0.0685392394661903, 0.0, 0.0, 0.0
InChI%3D1S%2FCd.2ClH%2Fh%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2, 0.0, 3.0, 1.12999999523163, 0.0, , , 0.0, 0.0, 1.02400004863739, 0.0, , 0.0, , 0.0, 0.0, 0.0
InChI%3D1S%2FC6H5NO2%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H, 9.0, 14.0, 1.78999996185303, 9.0, -0.0465999990701675, , 6.0, 1.0, 2.89400005340576, 0.0, 2.88579988479614, 0.0, 0.00217155995778739, 0.0, 6.0, 3.0
InChI%3D1S%2FC6H12ClN3O3%2Fc1-5%2811%294-10%289-13%296%2812%298-3-2-7%2Fh5%2C11H%2C2-4H2%2C1H3%2C%28H%2C8%2C12%29, 6.0, 25.0, 1.35000002384186, 12.0, 0.418500006198883, , 0.0, 6.0, 0.168999999761581, 0.0, 48.5611991882324, 2.0, 0.175142243504524, 3.0, 0.0, 13.0
InChI%3D1S%2FC11H16O2%2Fc1-11%282%2C3%299-7-8%2813-4%295-6-10%289%2912%2Fh5-7%2C12H%2C1-4H3, 8.0, 29.0, 2.45000004768372, 13.0, 1.04410004615784, , 6.0, 2.0, 3.18400001525879, 0.0, 29.0072002410889, 1.0, 1.09014475345612, 0.0, 6.0, 3.0
InChI%3D1S%2FC5H10Br2O2%2Fc6-1-5%282-7%2C3-8%294-9%2Fh8-9H%2C1-4H2, 0.0, 19.0, 1.57000005245209, 8.0, 0.533599972724915, , 0.0, 4.0, 1.20200002193451, 0.0, 43.7966995239258, 2.0, 0.284728974103928, 3.0, 0.0, 9.0
InChI%3D1S%2FC3H6N2S%2Fc6-3-4-1-2-5-3%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29, 3.0, 12.0, 1.46000003814697, 6.0, 0.351799994707108, , 0.0, 0.0, 0.122000001370907, 0.0, 26.6289005279541, 1.0, 0.123763240873814, 0.0, 0.0, 0.0
InChI%3D1S%2FC11H8N2O5%2Fc12-11%2814%298%289-2-1-5-17-9%296-7-3-4-10%2818-7%2913%2815%2916%2Fh1-6H%2C%28H2%2C12%2C14%29, 18.0, 26.0, 1.89999997615814, 19.0, -0.164199993014336, , 10.0, 4.0, 2.62199997901917, 0.0, 23.6989002227783, 2.0, 0.0269616395235062, 3.0, 10.0, 5.0
InChI%3D1S%2FC6H9NO%2Fc1-2-7-5-3-4-6%287%298%2Fh2H%2C1%2C3-5H2, 5.0, 17.0, 1.89999997615814, 8.0, -0.689899981021881, , 0.0, 1.0, 0.282999992370605, 0.0, 29.0034008026123, 0.0, 0.47596201300621, 2.0, 0.0, 2.0
InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2%2Fb2-1%2B, 2.0, 9.0, 1.57000005245209, 4.0, 1.51820003986359, , 0.0, 1.0, 2.09899997711182, 0.0, 25.2765998840332, 0.0, 2.30493116378784, 3.0, 0.0, 5.0
InChI%3D1S%2FC3H7N3O2%2Fc1-2-6%285-8%293%284%297%2Fh2H2%2C1H3%2C%28H2%2C4%2C7%29, 6.0, 15.0, 1.24000000953674, 7.0, 0.675700008869171, , 0.0, 3.0, 0.273999989032745, 0.0, 27.1250991821289, 2.0, 0.456570476293564, 2.0, 0.0, 8.0
InChI%3D1S%2FC4H9N3O%2Fc8-6-7-3-1-5-2-4-7%2Fh5H%2C1-4H2, 3.0, 17.0, 1.46000003814697, 8.0, -0.487800002098083, , 0.0, 1.0, -0.642000019550323, 0.0, 30.8059005737305, 1.0, 0.237948834896088, 0.0, 0.0, 2.0
InChI%3D1S%2FC8H12F6N2O%2Fc9-7%2810%2C11%293-1-5-16%2815-17%296-2-4-8%2812%2C13%2914%2Fh1-6H2, 3.0, 29.0, 1.35000002384186, 16.0, 0.953599989414215, , 0.0, 9.0, 4.00699996948242, 0.0, 42.5970993041992, 0.0, 0.909352958202362, 4.0, 0.0, 17.0
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, 2.0, 49.0, 3.32999992370605, 24.0, 0.174999997019768, , 0.0, 0.0, 3.03500008583069, 0.0, 82.4268035888672, 1.0, 0.0306250005960464, 0.0, 0.0, 0.0
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, 16.0, 40.0, 3.22000002861023, 21.0, -0.230199992656708, , 12.0, 4.0, 5.66200017929077, 1.0, 33.7085990905762, 2.0, 0.0529920384287834, 6.0, 12.0, 6.0
InChI%3D1S%2FC4H5Cl%2Fc1-3-4%282%295%2Fh3H%2C1-2H2, 4.0, 10.0, 1.78999996185303, 4.0, 1.78369998931885, , 0.0, 1.0, 1.68900001049042, 0.0, 25.0105991363525, 0.0, 3.18158578872681, 4.0, 0.0, 5.0
InChI%3D1S%2FC24H38O4%2Fc1-5-9-13-19%287-3%2917-27-23%2825%2921-15-11-12-16-22%2821%2924%2826%2928-18-20%288-4%2914-10-6-2%2Fh11-12%2C15-16%2C19-20H%2C5-10%2C13-14%2C17-18H2%2C1-4H3, 12.0, 66.0, 3.66000008583069, 28.0, -1.78279995918274, , 6.0, 16.0, 9.04199981689453, 2.0, 77.5813980102539, 0.0, 3.17837572097778, 7.0, 6.0, 11.0
InChI%3D1S%2FC3H5N3O9%2Fc7-4%288%2913-1-3%2815-6%2811%2912%292-14-5%289%2910%2Fh3H%2C1-2H2, 4.0, 20.0, 0.469999998807907, 14.0, -0.0697999969124794, , 0.0, 8.0, 0.976000010967255, 0.0, 25.5303001403809, 0.0, 0.00487203989177942, 3.0, 0.0, 15.0
InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3, 6.0, 18.0, 2.33999991416931, 8.0, 0.30689999461174, , 6.0, 1.0, 4.9539999961853, 0.0, 10.3505001068115, 0.0, 0.0941876098513603, 2.0, 6.0, 2.0
InChI%3D1S%2FC18H14N4O7S.Na%2Fc23-21%2824%2914-7-9-15%2817%2811-14%2922%2825%2926%2920-13-6-8-16%2818%2810-13%2930%2827%2C28%2929%2919-12-4-2-1-3-5-12%3B%2Fh1-11%2C19-20H%2C%28H%2C27%2C28%2C29%29%3B%2Fq%3B%2B1%2Fp-1, 30.0, 44.0, 2.00999999046326, 32.0, , , 18.0, 7.0, 6.52899980545044, 1.0, , 2.0, , 0.0, 18.0, 3.0
InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh1%2C3H2%2C2H3, 2.0, 12.0, 1.78999996185303, 4.0, 1.90980005264282, , 0.0, 1.0, 1.24100005626678, 0.0, 24.7569999694824, 0.0, 3.64733600616455, 3.0, 0.0, 5.0
InChI%3D1S%2FC2H5NO2%2Fc1-5-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29, 4.0, 10.0, 1.35000002384186, 4.0, 0.57150000333786, , 0.0, 1.0, 0.497000008821487, 0.0, 15.5243997573853, 2.0, 0.326612263917923, 0.0, 0.0, 5.0
InChI%3D1S%2FC15H32N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-13-14-15-17%282%2916-18%2Fh3-15H2%2C1-2H3, 3.0, 50.0, 2.77999997138977, 17.0, -3.40459990501404, , 0.0, 14.0, 6.7649998664856, 2.0, 59.9039001464844, 0.0, 11.5913009643555, 14.0, 0.0, 18.0
InChI%3D1S%2FC13H16N4O6.ClH%2Fc18-13-16%2814-7-10-1-2-12%2822-10%2917%2819%2920%299-11%2823-13%298-15-3-5-21-6-4-15%3B%2Fh1-2%2C7%2C11H%2C3-6%2C8-9H2%3B1H%2Fb14-7-%3B%2Ft11-%3B%2Fm0.%2Fs1, 14.0, 41.0, 1.67999994754791, 25.0, -0.440600007772446, , 5.0, 5.0, 1.53699994087219, 0.0, 57.0368995666504, 0.0, 0.19412836432457, 0.0, 5.0, 2.0
InChI%3D1S%2FC17H22N2O.C4H6O4%2Fc1-17%2820-14-13-19%282%293%2C15-9-5-4-6-10-15%2916-11-7-8-12-18-16%3B5-3%286%291-2-4%287%298%2Fh4-12H%2C13-14H2%2C1-3H3%3B1-2H2%2C%28H%2C5%2C6%29%28H%2C7%2C8%29, 6.0, 56.0, 3.0, 28.0, -0.168500006198883, , 12.0, 9.0, 3.78900003433228, 0.0, 56.907398223877, 2.0, 0.0283922497183084, 4.0, 12.0, 8.0
InChI%3D1S%2FC3H5N3O%2Fc1-2-6%283-4%295-7%2Fh2H2%2C1H3, 5.0, 12.0, 1.35000002384186, 6.0, 0.373800009489059, , 0.0, 2.0, -0.0560000017285347, 0.0, 25.3031997680664, 0.0, 0.13972644507885, 2.0, 0.0, 7.0
InChI%3D1S%2FC5H11N3O2%2Fc1-2-3-4-8%287-10%295%286%299%2Fh2-4H2%2C1H3%2C%28H2%2C6%2C9%29, 6.0, 21.0, 1.46000003814697, 9.0, -0.190099999308586, , 0.0, 5.0, 1.20099997520447, 0.0, 33.5686988830566, 2.0, 0.0361380092799664, 4.0, 0.0, 10.0
InChI%3D1S%2FC15H13NO%2Fc1-10%2817%2916-13-6-7-15-12%289-13%298-11-4-2-3-5-14%2811%2915%2Fh2-7%2C9H%2C8H2%2C1H3%2C%28H%2C16%2C17%29, 15.0, 30.0, 2.89000010490417, 19.0, 0.384499996900558, , 12.0, 1.0, 5.80700016021729, 1.0, 18.5018005371094, 1.0, 0.147840246558189, 2.0, 12.0, 4.0
InChI%3D1S%2FC6H11IO3%2Fc1-4%287%296-9-3-5%282-8%2910-6%2Fh4-6%2C8H%2C2-3H2%2C1H3, 0.0, 21.0, 1.67999994754791, 10.0, 0.757499992847443, , 0.0, 2.0, 0.722000002861023, 0.0, 45.0453987121582, 1.0, 0.57380622625351, 0.0, 0.0, 2.0
InChI%3D1S%2FC9H11N3O2%2Fc13-10-12-6-2-4-9%2812%298-3-1-5-11%2814%297-8%2Fh1%2C3%2C5%2C7%2C9H%2C2%2C4%2C6H2, 7.0, 25.0, 1.89999997615814, 15.0, -0.751900017261505, , 6.0, 2.0, 0.513999998569489, 0.0, 24.0333003997803, 0.0, 0.565353631973267, 0.0, 6.0, 2.0
InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29, 0.0, 11.0, 1.67999994754791, 6.0, 0.0513000003993511, , 0.0, 0.0, 0.535000026226044, 0.0, 5.89870023727417, 2.0, 0.00263168988749385, 0.0, 5.0, 0.0
InChI%3D1S%2FC32H24N6O16S4.2Cu.4Na%2Fc33-19-11-17%2855%2843%2C44%2945%295-15-9-25%2857%2849%2C50%2951%2929%2831%2841%2927%2815%2919%2937-35-21-3-1-13%287-23%2821%2939%2914-2-4-22%2824%2840%298-14%2936-38-30-26%2858%2852%2C53%2954%2910-16-6-18%2856%2846%2C47%2948%2912-20%2834%2928%2816%2932%2830%2942%3B%3B%3B%3B%3B%3B%2Fh1-12%2C39-42H%2C33-34H2%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%3B%3B%2Fq%3B2%2A%2B2%3B4%2A%2B1%2Fp-8%2Fb37-35-%2C38-36-%3B%3B%3B%3B%3B%3B, 58.0, 80.0, 1.46000003814697, 63.0, , , 32.0, 9.0, -0.448000013828278, 1.0, , 2.0, , 0.0, 34.0, 3.0
InChI%3D1S%2FC6H6N2O2%2Fc9-7-5-1-2-6%288-10%294-3-5%2Fh1-4%2C9-10H, 10.0, 16.0, 1.67999994754791, 10.0, 0.0649999976158142, , 0.0, 0.0, 0.257999986410141, 0.0, 38.0985984802246, 2.0, 0.00422499980777502, 0.0, 0.0, 2.0
InChI%3D1S%2FC6H12ClN3O3%2Fc1-4%2811%293-8-6%2812%2910%289-13%295%282%297%2Fh4-5%2C11H%2C3H2%2C1-2H3%2C%28H%2C8%2C12%29, 6.0, 25.0, 1.35000002384186, 12.0, 0.657999992370605, , 0.0, 5.0, 0.270999997854233, 0.0, 48.0792007446289, 2.0, 0.432963997125626, 3.0, 0.0, 13.0
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, 4.0, 33.0, 1.35000002384186, 18.0, -1.73510003089905, , 0.0, 2.0, -1.72200000286102, 1.0, 51.6804008483887, 7.0, 3.01057195663452, 0.0, 0.0, 2.0
InChI%3D1S%2FC11H10N4%2Fc1-15-9-5-4-8-7%283-2-6-13-8%2910%289%2914-11%2815%2912%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29, 14.0, 25.0, 2.23000001907349, 17.0, -0.36719998717308, , 10.0, 0.0, 2.85199999809265, 0.0, 16.8964004516602, 2.0, 0.134835839271545, 0.0, 11.0, 0.0
InChI%3D1S%2FC5H10N2O3%2Fc1-7%286-10%294-2-3-5%288%299%2Fh2-4H2%2C1H3%2C%28H%2C8%2C9%29, 3.0, 20.0, 1.46000003814697, 9.0, -0.492900013923645, , 0.0, 5.0, -0.377000004053116, 0.0, 33.7461013793945, 1.0, 0.242950409650803, 4.0, 0.0, 10.0
InChI%3D1S%2FC9H12%2Fc1-7-4-5-8%282%299%283%296-7%2Fh4-6H%2C1-3H3, 6.0, 21.0, 2.45000004768372, 9.0, 1.92599999904633, , 6.0, 0.0, 5.0310001373291, 1.0, 16.5062999725342, 0.0, 3.70947599411011, 0.0, 6.0, 0.0
InChI%3D1S%2FC5H8O2%2Fc1-5%282%293-7-4%285%296%2Fh3H2%2C1-2H3, 3.0, 15.0, 1.78999996185303, 7.0, 0.834699988365173, , 0.0, 0.0, 0.354999989271164, 0.0, 24.6285991668701, 0.0, 0.696724116802216, 0.0, 0.0, 0.0
InChI%3D1S%2FC8H11N.ClH%2Fc1-6-3-4-7%282%298%289%295-6%3B%2Fh3-5H%2C9H2%2C1-2H3%3B1H, 7.0, 22.0, 2.11999988555908, 9.0, 0.534099996089935, , 6.0, 0.0, 2.92400002479553, 0.0, 15.226300239563, 1.0, 0.285262823104858, 0.0, 6.0, 0.0
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, 11.0, 182.0, 5.19999980926514, 96.0, -5.45800018310547, , 6.0, 8.0, 1.51999998092651, 2.0, 289.450012207031, 6.0, 29.7897644042969, 0.0, 6.0, 3.0
InChI%3D1S%2FC9H13N.ClH%2Fc1-6-4-7%282%299%2810%298%283%295-6%3B%2Fh4-5H%2C10H2%2C1-3H3%3B1H, 7.0, 25.0, 2.23000001907349, 10.0, 1.17610001564026, , 6.0, 0.0, 3.03600001335144, 0.0, 20.7283992767334, 1.0, 1.38321125507355, 0.0, 6.0, 0.0
InChI%3D1S%2FC6H4N4O4%2Fc7-6-9-8-5%2814-6%293-1-2-4%2813-3%2910%2811%2912%2Fh1-2H%2C%28H2%2C7%2C9%29, 8.0, 20.0, 1.24000000953674, 15.0, -0.414700001478195, , 5.0, 2.0, 1.59899997711182, 0.0, 21.0323009490967, 3.0, 0.171976089477539, 0.0, 5.0, 2.0