path: root/5x_cv/fs/Bercu_CPDB_9March2010_rat_pTD50_constitutional_inchi.csv

SMILES,nB,ALogp2,nAtom,LipinskiFailures,nAtomLAC,nAromBond,nHBDon,nAtomLC,nAtomP,ALogP,nRotB,AMR,XLogP,naAromAtom,MLogP,LipinksiFailures
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%2C1-4H3,29.0,1.03347551822662,54.0,0.0,0.0,0.0,1.0,0.0,4.0,-1.01660001277924,0.0,93.2130966186523,0.0799999982118607,0.0,2.67000007629395,
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%29,17.0,0.0573123581707478,21.0,0.0,0.0,10.0,1.0,3.0,16.0,0.239399999380112,3.0,22.1271991729736,1.51699995994568,10.0,1.46000003814697,
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%29,22.0,0.00633616000413895,39.0,0.0,0.0,6.0,1.0,2.0,13.0,-0.0795999988913536,3.0,55.3368988037109,2.29999995231628,6.0,2.23000001907349,
InChI%3D1S%2FC2H5ClO%2Fc1-4-2-3%2Fh2H2%2C1H3,3.0,0.237558767199516,9.0,0.0,0.0,0.0,0.0,4.0,0.0,0.487399995326996,1.0,17.6518993377686,0.426999986171722,0.0,1.46000003814697,
InChI%3D1S%2FC6H12N2O3%2Fc1-2-3-8%287-11%294-6%2810%295-9%2Fh2%2C6%2C9-10H%2C1%2C3-5H2,10.0,0.117306247353554,23.0,0.0,3.0,0.0,2.0,11.0,3.0,-0.342500001192093,6.0,41.4679985046387,-1.04100000858307,0.0,1.57000005245209,
InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh3H%2C1-2H3,4.0,3.42509055137634,12.0,0.0,3.0,0.0,0.0,5.0,2.0,1.8507000207901,0.0,24.7329006195068,1.71300005912781,0.0,1.78999996185303,
InChI%3D1S%2FC12H10N2O%2Fc15-13-14%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H,16.0,0.0129504399374127,25.0,0.0,0.0,12.0,0.0,3.0,15.0,-0.113799996674061,3.0,8.65709972381592,4.81099987030029,12.0,2.45000004768372,
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%2C7-10H2,27.0,0.202050253748894,38.0,0.0,0.0,16.0,0.0,3.0,19.0,0.449499994516373,3.0,34.0452003479004,3.39000010490417,15.0,2.33999991416931,
InChI%3D1S%2FC4H9N3O3%2Fc5-4%289%297%286-10%292-1-3-8%2Fh8H%2C1-3H2%2C%28H2%2C5%2C9%29,9.0,0.161684408783913,19.0,0.0,3.0,0.0,3.0,10.0,6.0,-0.402099996805191,5.0,32.0351982116699,-0.5,0.0,1.24000000953674,
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%29,17.0,0.246214434504509,24.0,0.0,0.0,5.0,5.0,2.0,8.0,-0.496199995279312,2.0,27.5818004608154,1.74699997901917,5.0,1.24000000953674,
InChI%3D1S%2FC6H6N2O3%2Fc7-4-1-2-6%289%295%283-4%298%2810%2911%2Fh1-3%2C9H%2C7H2,11.0,1.57954621315002,17.0,0.0,0.0,6.0,2.0,2.0,11.0,-1.25680005550385,1.0,9.67249965667725,1.54799997806549,6.0,1.57000005245209,
InChI%3D1S%2FC37H37N2O9S3%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%2Fh5-24H%2C3-4%2C25-26H2%2C1-2H3%2C%28H%2C40%2C41%2C42%29%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29,55.0,0.00851929001510143,89.0,3.0,2.0,24.0,,4.0,23.0,0.0922999978065491,13.0,99.8731002807617,5.90899991989136,24.0,3.99000000953674,
InChI%3D1S%2FC4H8N2O%2Fc7-5-6-3-1-2-4-6%2Fh1-4H2,7.0,0.444355547428131,15.0,0.0,0.0,0.0,0.0,2.0,3.0,-0.666599988937378,1.0,23.9046993255615,0.46000000834465,0.0,1.57000005245209,
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%29,17.0,0.00364816002547741,31.0,0.0,0.0,5.0,3.0,0.0,3.0,-0.0604000017046928,0.0,41.2084999084473,1.86600005626678,0.0,2.23000001907349,
InChI%3D1S%2FC6H10N2O%2Fc1-3-5-8%287-9%296-4-2%2Fh3-4H%2C1-2%2C5-6H2,8.0,1.75403535366058,19.0,0.0,3.0,0.0,0.0,9.0,3.0,1.32439994812012,5.0,38.3759002685547,0.954999983310699,0.0,1.78999996185303,
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%29,19.0,0.408448815345764,26.0,0.0,2.0,10.0,1.0,5.0,8.0,-0.639100015163422,4.0,24.550199508667,1.18900001049042,5.0,1.46000003814697,
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%29,14.0,2.28040194511414,29.0,0.0,5.0,0.0,3.0,15.0,6.0,-1.51010000705719,7.0,47.9440994262695,-3.08800005912781,0.0,1.35000002384186,
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%29,18.0,3.01057195663452,33.0,1.0,0.0,0.0,7.0,2.0,4.0,-1.73510003089905,2.0,51.6804008483887,-1.72200000286102,0.0,1.35000002384186,
InChI%3D1S%2FC12H9NO%2Fc13-8-5-6-10-9-3-1-2-4-11%289%2914-12%2810%297-8%2Fh1-7H%2C13H2,16.0,0.817215979099274,23.0,0.0,0.0,15.0,1.0,0.0,14.0,-0.903999984264374,0.0,5.84119987487793,3.03299999237061,12.0,2.55999994277954,
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%29,23.0,0.118404813110828,32.0,0.0,2.0,11.0,2.0,4.0,20.0,-0.344099998474121,4.0,32.3064994812012,1.70799994468689,11.0,1.46000003814697,
InChI%3D1S%2FC5H10ClN3O3%2Fc6-1-2-7-5%2811%299%288-12%293-4-10%2Fh10H%2C1-4H2%2C%28H%2C7%2C11%29,11.0,0.184212639927864,22.0,0.0,2.0,0.0,2.0,12.0,6.0,0.429199993610382,6.0,43.9767990112305,-0.291000008583069,0.0,1.24000000953674,
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%2C3-4H2,19.0,7.41854190826416,27.0,0.0,2.0,0.0,0.0,7.0,5.0,2.72370004653931,3.0,77.7978973388672,2.76999998092651,0.0,1.67999994754791,
InChI%3D1S%2FC10H9N%2Fc11-10-6-5-8-3-1-2-4-9%288%297-10%2Fh1-7H%2C11H2,12.0,0.562350034713745,20.0,0.0,0.0,11.0,1.0,0.0,11.0,-0.749899983406067,0.0,4.22209978103638,3.8529999256134,10.0,2.45000004768372,
InChI%3D1S%2FC6H14NO4P%2Fc1-9-12%288%2C10-2%297-3-5-11-6-4-7%2Fh3-6H2%2C1-2H3,12.0,0.297570258378983,26.0,0.0,0.0,0.0,0.0,6.0,5.0,-0.545499980449677,3.0,44.0197982788086,-1.04700005054474,0.0,1.46000003814697,
InChI%3D1S%2FC8H6O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6H,10.0,0.0237468108534813,15.0,0.0,0.0,10.0,0.0,0.0,7.0,-0.154100000858307,0.0,1.61909997463226,2.64599990844727,6.0,2.23000001907349,
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%2C1H3,28.0,2.14710402488708,36.0,0.0,0.0,12.0,1.0,2.0,18.0,-1.46529996395111,1.0,35.6242980957031,1.72200000286102,12.0,2.77999997138977,
InChI%3D1S%2FC6H7N%2Fc7-6-4-2-1-3-5-6%2Fh1-5H%2C7H2,7.0,0.562350034713745,14.0,0.0,0.0,6.0,1.0,0.0,7.0,-0.749899983406067,0.0,4.22209978103638,1.97699999809265,6.0,2.00999999046326,
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%2C1H3,15.0,0.267185598611832,28.0,0.0,4.0,6.0,0.0,9.0,8.0,-0.51690000295639,6.0,31.8728008270264,0.605000019073486,6.0,2.00999999046326,
InChI%3D1S%2FC8H14ClNS2%2Fc1-4-10%285-2%298%2811%2912-6-7%283%299%2Fh3-6H2%2C1-2H3,11.0,10.0267219543457,26.0,0.0,3.0,0.0,0.0,12.0,3.0,3.16650009155273,6.0,62.7835998535156,2.74499988555908,0.0,1.89999997615814,
InChI%3D1S%2FC2H6O%2Fc1-2-3%2Fh3H%2C2H2%2C1H3,2.0,0.0115777598693967,9.0,0.0,2.0,0.0,1.0,3.0,0.0,-0.107600003480911,0.0,12.555100440979,-0.0759999975562096,0.0,1.57000005245209,
InChI%3D1S%2FC5H11Cl2N%2Fc1-8%284-2-6%295-3-7%2Fh2-5H2%2C1H3,7.0,2.72415018081665,19.0,0.0,2.0,0.0,0.0,8.0,0.0,1.65050005912781,4.0,38.6747016906738,1.59300005435944,0.0,1.67999994754791,
InChI%3D1S%2FC6H13NO%2Fc1-4-7%285-2%296%283%298%2Fh4-5H2%2C1-3H3,7.0,0.00648025004193187,21.0,0.0,2.0,0.0,0.0,8.0,3.0,0.0804999992251396,3.0,32.8469009399414,0.698000013828278,0.0,1.89999997615814,
InChI%3D1S%2FC8H10O%2Fc1-7%289%298-5-3-2-4-6-8%2Fh2-7%2C9H%2C1H3,9.0,0.211048364639282,19.0,0.0,2.0,6.0,1.0,3.0,6.0,-0.459399998188019,1.0,11.8612003326416,2.86899995803833,6.0,2.23000001907349,
InChI%3D1S%2FC2H4Cl2O%2Fc3-1-5-2-4%2Fh1-2H2,4.0,0.854330480098724,9.0,0.0,0.0,0.0,0.0,5.0,0.0,0.924300014972687,2.0,22.2912998199463,0.833999991416931,0.0,1.35000002384186,
InChI%3D1S%2FC12H10N2O%2Fc15-14-12-8-6-11%287-9-12%2913-10-4-2-1-3-5-10%2Fh1-9%2C13H,16.0,0.196869686245918,25.0,0.0,0.0,12.0,1.0,2.0,15.0,-0.443699985742569,3.0,4.74289989471436,4.23400020599365,12.0,2.45000004768372,
InChI%3D1S%2FC4H10N2O2%2Fc1-6%285-8%293-2-4-7%2Fh7H%2C2-4H2%2C1H3,7.0,0.542579531669617,18.0,0.0,3.0,0.0,1.0,8.0,3.0,-0.736599981784821,4.0,29.2544002532959,-0.625999987125397,0.0,1.46000003814697,
InChI%3D1S%2FC6H10N2O3%2Fc1-5%289%293-8%287-11%294-6%282%2910%2Fh3-4H2%2C1-2H3,10.0,1.05103504657745,21.0,0.0,3.0,0.0,0.0,11.0,3.0,-1.02520000934601,5.0,39.3218994140625,-0.981000006198883,0.0,1.57000005245209,
InChI%3D1S%2FC32H24N6O14S4%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%2Fh1-14%2C35-36H%2C33-34H2%2C%28H%2C41%2C42%2C43%29%28H%2C44%2C45%2C46%29%28H%2C47%2C48%2C49%29%28H%2C50%2C51%2C52%29,61.0,27.0753707885742,80.0,2.0,0.0,24.0,,3.0,56.0,-5.20340013504028,9.0,101.91259765625,1.50600004196167,24.0,2.33999991416931,
InChI%3D1S%2FC5H3Cl3O3%2Fc6-2-1%283%287%298%294%289%2911-5%282%2910%2Fh3-4%2C9H,11.0,2.0200936794281,14.0,0.0,0.0,0.0,1.0,2.0,5.0,1.4213000535965,1.0,41.2304000854492,0.917999982833862,0.0,1.35000002384186,
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%29,15.0,0.154370412230492,21.0,0.0,0.0,5.0,2.0,2.0,8.0,0.392899990081787,2.0,29.1082000732422,1.60199999809265,5.0,1.46000003814697,
InChI%3D1S%2FC8H11NO%2Fc1-6-5-7%2810-2%293-4-8%286%299%2Fh3-5H%2C9H2%2C1-2H3,10.0,0.0255040898919106,21.0,0.0,0.0,6.0,1.0,2.0,8.0,-0.159700006246567,1.0,17.0400009155273,1.43400001525879,6.0,2.11999988555908,
InChI%3D1S%2FC12H6Cl4%2Fc13-7-1-3-9%2811%2815%295-7%2910-4-2-8%2814%296-12%2810%2916%2Fh1-6H,17.0,8.86371994018555,22.0,1.0,0.0,12.0,,0.0,12.0,2.97720003128052,1.0,22.4624004364014,5.14400005340576,12.0,2.33999991416931,
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%29,14.0,0.434149205684662,30.0,0.0,2.0,0.0,3.0,4.0,7.0,0.658900022506714,2.0,54.185001373291,2.18400001525879,0.0,1.67999994754791,
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%29,10.0,0.00115599995478988,23.0,0.0,4.0,0.0,2.0,11.0,4.0,-0.034000001847744,4.0,39.0854988098145,-0.247999995946884,0.0,1.57000005245209,
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%2C1-2H3,29.0,0.735649287700653,54.0,0.0,2.0,0.0,3.0,4.0,6.0,-0.857699990272522,2.0,97.1956024169922,1.02100002765656,0.0,3.22000002861023,
InChI%3D1S%2FC4H8N2O2%2Fc1-4%287%293-6%282%295-8%2Fh3H2%2C1-2H3,7.0,0.218275845050812,16.0,0.0,3.0,0.0,0.0,8.0,3.0,-0.467200011014938,3.0,29.6861991882324,-0.628000020980835,0.0,1.46000003814697,
InChI%3D1S%2FCH4N2O2%2Fc2-1-3%284%295%2Fh1-2H2,4.0,3.61456155776978,9.0,0.0,0.0,0.0,,5.0,2.0,-1.90120005607605,1.0,11.4048004150391,-0.968999981880188,0.0,1.12999999523163,
InChI%3D1S%2FC6H11NO2%2Fc1-3-5-6%284-2%297%288%299%2Fh5H%2C3-4H2%2C1-2H3,8.0,0.249000996351242,20.0,0.0,6.0,0.0,0.0,9.0,5.0,-0.499000012874603,3.0,30.1527004241943,2.0699999332428,0.0,1.78999996185303,
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%2C15H2,19.0,1.63200628757477,26.0,0.0,0.0,12.0,1.0,0.0,17.0,-1.2775000333786,0.0,14.9140996932983,2.62199997901917,12.0,2.67000007629395,
InChI%3D1S%2FC4H8N2OS%2Fc7-5-6-1-3-8-4-2-6%2Fh1-4H2,8.0,0.273738235235214,16.0,0.0,0.0,0.0,0.0,2.0,3.0,0.52319997549057,1.0,35.2994003295898,0.714999973773956,0.0,1.46000003814697,
InChI%3D1S%2FC14H16N2O2%2Fc1-17-13-7-9%283-5-11%2813%2915%2910-4-6-12%2816%2914%288-10%2918-2%2Fh3-8H%2C15-16H2%2C1-2H3,19.0,2.57089161872864,34.0,0.0,0.0,12.0,2.0,2.0,16.0,-1.60339999198914,3.0,23.0757999420166,1.81200003623962,12.0,2.55999994277954,
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,19.0,0.03515625,24.0,0.0,0.0,15.0,0.0,3.0,17.0,-0.1875,2.0,7.40290021896362,2.58500003814697,14.0,2.00999999046326,
InChI%3D1S%2FC13H16N4O6%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%2Fh1-2%2C7%2C11H%2C3-6%2C8-9H2,25.0,0.19412836432457,39.0,0.0,0.0,5.0,,2.0,14.0,-0.440600007772446,5.0,57.0368995666504,1.02499997615814,5.0,1.78999996185303,
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%2C1H3,27.0,1.96084010601044,39.0,0.0,0.0,6.0,1.0,2.0,11.0,-1.40030002593994,1.0,52.9067001342773,1.0,6.0,2.67000007629395,
InChI%3D1S%2FC12H10Cl2N2%2Fc13-9-5-7%281-3-11%289%2915%298-2-4-12%2816%2910%2814%296-8%2Fh1-6H%2C15-16H2,17.0,0.000125439997646026,26.0,0.0,0.0,12.0,2.0,0.0,14.0,-0.0111999996006489,1.0,19.6753997802734,2.89199995994568,12.0,2.33999991416931,
InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H,6.0,0.0,12.0,0.0,0.0,6.0,0.0,0.0,6.0,0.0,0.0,0.0,4.06199979782104,6.0,2.11999988555908,
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%29,18.0,0.00522729009389877,27.0,0.0,0.0,11.0,2.0,0.0,14.0,0.0723000019788742,0.0,22.6289005279541,2.33800005912781,10.0,2.11999988555908,
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,19.0,1.65868639945984,25.0,0.0,0.0,12.0,0.0,2.0,16.0,1.2878999710083,3.0,15.7361001968384,4.76300001144409,12.0,2.11999988555908,
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%29,15.0,0.0205922499299049,20.0,0.0,0.0,5.0,3.0,2.0,8.0,0.143500000238419,2.0,27.4755992889404,1.38399994373322,5.0,1.24000000953674,
InChI%3D1S%2FC5H11N3O2%2Fc1-4%282%293-8%287-10%295%286%299%2Fh4H%2C3H2%2C1-2H3%2C%28H2%2C6%2C9%29,9.0,0.823556244373322,21.0,0.0,3.0,0.0,2.0,10.0,6.0,0.907500028610229,4.0,36.1146011352539,0.929000020027161,0.0,1.46000003814697,
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%29,21.0,2.86794233322144,32.0,1.0,3.0,12.0,2.0,7.0,6.0,1.69350004196167,4.0,25.5104999542236,5.83400011062622,12.0,2.77999997138977,
InChI%3D1S%2FC5H10N2O2%2Fc1-2-3-7%286-9%294-5-8%2Fh2%2C8H%2C1%2C3-5H2,8.0,0.0282912403345108,19.0,0.0,3.0,0.0,1.0,9.0,3.0,0.168200001120567,5.0,35.505500793457,-0.368999987840652,0.0,1.57000005245209,
InChI%3D1S%2FC12H26N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-14%282%2913-15%2Fh3-12H2%2C1-2H3,14.0,6.45464849472046,41.0,2.0,11.0,0.0,0.0,15.0,3.0,-2.54060006141663,11.0,51.1691017150879,5.05800008773804,0.0,2.45000004768372,
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%2C1-3H3,32.0,2.46144723892212,44.0,0.0,0.0,12.0,1.0,2.0,20.0,-1.56889998912811,3.0,50.2559013366699,0.833999991416931,12.0,2.77999997138977,
InChI%3D1S%2FC7H7NO%2Fc1-6-4-2-3-5-7%286%298-9%2Fh2-5H%2C1H3,9.0,0.382789701223373,16.0,0.0,0.0,6.0,0.0,2.0,8.0,0.61870002746582,1.0,6.94500017166138,2.65400004386902,6.0,2.00999999046326,
InChI%3D1S%2FC4H9NO2%2Fc1-4%282%293-7-5-6%2Fh4H%2C3H2%2C1-2H3,6.0,2.14593195915222,16.0,0.0,3.0,0.0,0.0,7.0,3.0,-1.46490001678467,3.0,25.7915000915527,1.92999994754791,0.0,1.57000005245209,
InChI%3D1S%2FC16H9NO2%2Fc18-17%2819%2914-9-7-12-5-4-10-2-1-3-11-6-8-13%2814%2916%2812%2915%2810%2911%2Fh1-9H,22.0,0.00217155995778739,28.0,1.0,0.0,19.0,0.0,3.0,19.0,-0.0465999990701675,1.0,2.88579988479614,6.95699977874756,16.0,2.89000010490417,
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%29,27.0,0.0853808373212814,41.0,0.0,2.0,16.0,1.0,4.0,18.0,0.292199999094009,5.0,37.8739013671875,3.75799989700317,15.0,2.89000010490417,
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%29,16.0,1.40043556690216,33.0,0.0,3.0,0.0,4.0,6.0,4.0,1.18340003490448,3.0,60.3378982543945,0.544000029563904,0.0,1.67999994754791,
InChI%3D1S%2FC3H4O2%2Fc4-3-1-2-5-3%2Fh1-2H2,5.0,0.00199808995239437,9.0,0.0,0.0,0.0,0.0,0.0,3.0,-0.0447000004351139,0.0,15.5530996322632,-0.138999998569489,0.0,1.57000005245209,
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%2C7H2,15.0,1.03347551822662,27.0,0.0,0.0,6.0,0.0,2.0,6.0,-1.01660001277924,2.0,25.5020008087158,1.73399996757507,6.0,2.11999988555908,
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%29,16.0,1.05144512653351,28.0,0.0,0.0,5.0,3.0,0.0,3.0,-1.02540004253387,0.0,34.0446014404297,1.56900000572205,0.0,2.11999988555908,
InChI%3D1S%2FC7H9N%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5H%2C8H2%2C1H3,8.0,0.0116424104198813,17.0,0.0,0.0,6.0,1.0,0.0,7.0,-0.107900001108646,0.0,9.72420024871826,2.08899998664856,6.0,2.11999988555908,
InChI%3D1S%2FC2H5NO2%2Fc3-1-2%284%295%2Fh1%2C3H2%2C%28H%2C4%2C5%29,4.0,1.41967225074768,10.0,0.0,2.0,0.0,2.0,5.0,3.0,-1.19149994850159,1.0,16.0034008026123,-3.34999990463257,0.0,1.35000002384186,
InChI%3D1S%2FC9H17NO2%2Fc10-7-9%286-8%2811%2912%294-2-1-3-5-9%2Fh1-7%2C10H2%2C%28H%2C11%2C12%29,12.0,4.21193552017212,29.0,0.0,2.0,0.0,0.0,4.0,3.0,-2.05229997634888,3.0,41.7888984680176,1.39100003242493,0.0,2.11999988555908,
InChI%3D1S%2FC5H12N2O3%2Fc1-5%289%294-7%286-10%292-3-8%2Fh5%2C8-9H%2C2-4H2%2C1H3,9.0,0.997401714324951,22.0,0.0,3.0,0.0,2.0,10.0,3.0,-0.998700022697449,5.0,37.2195014953613,-1.23300004005432,0.0,1.46000003814697,
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%29,17.0,1.03205275535583,24.0,0.0,0.0,10.0,2.0,7.0,15.0,1.01590001583099,3.0,30.6247997283936,1.67499995231628,9.0,1.67999994754791,
InChI%3D1S%2FC3H6O%2Fc1-3-2-4-3%2Fh3H%2C2H2%2C1H3,4.0,0.0200505591928959,10.0,0.0,0.0,0.0,0.0,0.0,0.0,-0.141599997878075,0.0,15.6279001235962,0.270000010728836,0.0,1.67999994754791,
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,20.0,7.12356090545654,22.0,0.0,0.0,12.0,0.0,0.0,14.0,2.66899991035461,0.0,25.7005996704102,4.15999984741211,12.0,2.11999988555908,
InChI%3D1S%2FC6H6N2O3%2Fc7-5-2-1-4%288%2810%2911%293-6%285%299%2Fh1-3%2C9H%2C7H2,11.0,1.57954621315002,17.0,0.0,0.0,6.0,2.0,3.0,11.0,-1.25680005550385,1.0,9.67249965667725,1.11899995803833,6.0,1.57000005245209,
InChI%3D1S%2FC12H11N3%2Fc1-7-12-8-4-2-3-5-9%288%2915-10%2812%296-11%2813%2914-7%2Fh2-6%2C15H%2C1H3%2C%28H2%2C13%2C14%29,17.0,0.194392815232277,27.0,0.0,0.0,10.0,3.0,0.0,7.0,-0.4408999979496,0.0,22.5443992614746,2.57299995422363,6.0,2.45000004768372,
InChI%3D1S%2FC5H12N2S%2Fc1-3-6-5%288%297-4-2%2Fh3-4H2%2C1-2H3%2C%28H2%2C6%2C7%2C8%29,7.0,1.06915605068207,20.0,0.0,2.0,0.0,1.0,8.0,3.0,1.03400003910065,3.0,37.1855010986328,1.17799997329712,0.0,1.67999994754791,
InChI%3D1S%2FC11H9BrO4%2Fc1-16-8-4-2-7%283-5-8%2911%2815%299%2812%296-10%2813%2914%2Fh2-6H%2C1H3%2C%28H%2C13%2C14%29,16.0,0.0667705610394478,25.0,0.0,4.0,6.0,,8.0,14.0,0.258399993181229,4.0,37.6587982177734,2.26799988746643,6.0,2.11999988555908,
InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2,2.0,1.15111446380615,5.0,0.0,0.0,0.0,0.0,3.0,0.0,1.07290005683899,0.0,16.4382991790771,1.51900005340576,0.0,1.35000002384186,
InChI%3D1S%2FC6H8N2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H%2C7-8H2,8.0,2.24940013885498,16.0,0.0,0.0,6.0,2.0,0.0,8.0,-1.49979996681213,0.0,8.44419956207275,0.736000001430511,6.0,1.89999997615814,
InChI%3D1S%2FC11H24N2O%2Fc1-3-4-5-6-7-8-9-10-11-13%282%2912-14%2Fh3-11H2%2C1-2H3,13.0,5.07420682907104,38.0,0.0,10.0,0.0,0.0,14.0,3.0,-2.2525999546051,10.0,48.2574996948242,4.48899984359741,0.0,2.33999991416931,
InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2,11.0,0.0585639998316765,24.0,0.0,6.0,0.0,4.0,12.0,0.0,-0.241999998688698,5.0,50.472599029541,-0.272000014781952,0.0,1.46000003814697,
InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2,3.0,2.28553915023804,8.0,0.0,2.0,0.0,0.0,4.0,0.0,1.51180005073547,1.0,20.6555995941162,1.74000000953674,0.0,1.46000003814697,
InChI%3D1S%2FC3H5Br2Cl%2Fc4-1-3%285%292-6%2Fh3H%2C1-2H2,5.0,6.2235279083252,11.0,0.0,3.0,0.0,0.0,6.0,0.0,2.49469995498657,2.0,35.636100769043,3.0550000667572,0.0,1.46000003814697,
InChI%3D1S%2FC7H8N2O3%2Fc1-12-7-3-2-5%289%2810%2911%294-6%287%298%2Fh2-4H%2C8H2%2C1H3,12.0,0.719612896442413,20.0,0.0,0.0,6.0,1.0,2.0,11.0,-0.848299980163574,2.0,14.4237003326416,1.20899999141693,6.0,1.67999994754791,
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%29,21.0,0.511224985122681,34.0,0.0,0.0,6.0,2.0,0.0,14.0,0.714999973773956,1.0,46.2789993286133,2.60400009155273,6.0,2.45000004768372,
InChI%3D1S%2FCHBr3%2Fc2-1%283%294%2Fh1H,3.0,4.96665811538696,5.0,0.0,0.0,0.0,0.0,4.0,0.0,2.228600025177,0.0,29.7896995544434,3.08800005912781,0.0,1.24000000953674,
InChI%3D1S%2FC3H9O3P%2Fc1-5-7%283%2C4%296-2%2Fh1-3H3,6.0,0.0145443603396416,16.0,0.0,0.0,0.0,0.0,7.0,4.0,-0.120600000023842,2.0,26.142599105835,-0.214000001549721,0.0,1.35000002384186,
InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-4-10-14%2812%2911%286-3-9%295-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29,14.0,0.0070728100836277,29.0,0.0,2.0,0.0,1.0,4.0,5.0,0.0841000005602837,5.0,55.7243003845215,0.834999978542328,0.0,1.46000003814697,
InChI%3D1S%2FC20H14N2O10S3%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%2Fh1-10%2C21H%2C%28H%2C24%2C25%2C26%29%28H%2C27%2C28%2C29%29%28H%2C30%2C31%2C32%29,38.0,5.7278847694397,49.0,1.0,0.0,17.0,,3.0,35.0,-2.39330005645752,5.0,57.6535987854004,1.66100001335144,16.0,2.00999999046326,
InChI%3D1S%2FC6H12Cl3O4P%2Fc7-1-4-11-14%2810%2C12-5-2-8%2913-6-3-9%2Fh1-6H2,13.0,4.85673427581787,26.0,0.0,2.0,0.0,0.0,14.0,5.0,2.20379996299744,9.0,56.1287002563477,1.60500001907349,0.0,1.24000000953674,
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InChI%3D1S%2FC8H11NO%2Fc1-6-3-4-8%2810-2%297%289%295-6%2Fh3-5H%2C9H2%2C1-2H3,10.0,0.0255040898919106,21.0,0.0,0.0,6.0,1.0,2.0,8.0,-0.159700006246567,1.0,17.0400009155273,1.64499998092651,6.0,2.11999988555908,
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%29,13.0,0.0161036103963852,26.0,0.0,2.0,6.0,1.0,4.0,10.0,0.126900002360344,3.0,25.5104007720947,2.60800004005432,6.0,2.23000001907349,
InChI%3D1S%2FC12H4Cl6%2Fc13-7-3-1-5%289%2815%2911%287%2917%296-2-4-8%2814%2912%2818%2910%286%2916%2Fh1-4H,19.0,19.9433689117432,22.0,1.0,0.0,12.0,,0.0,12.0,4.4657998085022,1.0,33.6935997009277,5.33599996566772,12.0,2.11999988555908,
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InChI%3D1S%2FC5H11N3O3%2Fc1-2-6-5%2810%298%287-11%293-4-9%2Fh9H%2C2-4H2%2C1H3%2C%28H%2C6%2C10%29,10.0,0.000207360004424118,22.0,0.0,2.0,0.0,2.0,11.0,6.0,0.0143999997526407,5.0,38.9272994995117,-0.633000016212463,0.0,1.35000002384186,
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%2C7-10H2,27.0,0.100488997995853,41.0,0.0,2.0,16.0,2.0,7.0,19.0,-0.31700000166893,7.0,37.5553016662598,2.37199997901917,15.0,2.23000001907349,
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InChI%3D1S%2FC4H8O%2Fc1-2-4-5-3-1%2Fh1-4H2,5.0,0.499707609415054,13.0,0.0,0.0,0.0,0.0,0.0,0.0,-0.706900000572205,0.0,16.86669921875,0.526000022888184,0.0,1.78999996185303,
InChI%3D1S%2FC6H6ClN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,8.0,3.13599994115066e-05,14.0,0.0,0.0,6.0,1.0,0.0,7.0,-0.00559999980032444,0.0,9.83769989013672,1.86199998855591,6.0,1.89999997615814,
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%2C1-3H3,17.0,0.631866037845612,38.0,0.0,2.0,6.0,4.0,8.0,7.0,-0.794900000095367,5.0,43.3166007995605,1.17299997806549,6.0,2.45000004768372,
InChI%3D1S%2FC11H11N5%2Fc12-10-7-6-9%2811%2813%2914-10%2916-15-8-4-2-1-3-5-8%2Fh1-7H%2C%28H4%2C12%2C13%2C14%29,17.0,2.28010010719299,31.0,0.0,0.0,6.0,3.0,2.0,8.0,-1.50999999046326,2.0,26.8635005950928,3.03500008583069,6.0,2.11999988555908,
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InChI%3D1S%2FC3H4N2O3%2Fc6-3-5%284-7%291-2-8-3%2Fh1-2H2,8.0,0.113366886973381,12.0,0.0,0.0,0.0,0.0,2.0,6.0,0.336699992418289,1.0,24.3743000030518,-0.323000013828278,0.0,1.24000000953674,
InChI%3D1S%2FC4H9N5O3%2Fc1-2-3-8%287-10%294%285%296-9%2811%2912%2Fh2-3H2%2C1H3%2C%28H2%2C5%2C6%29,11.0,0.118129692971706,21.0,0.0,3.0,0.0,2.0,12.0,9.0,-0.343699991703033,6.0,33.7650985717773,1.25399994850159,0.0,1.01999998092651,
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InChI%3D1S%2FC3H6N6%2Fc4-1-7-2%285%299-3%286%298-1%2Fh%28H6%2C4%2C5%2C6%2C7%2C8%2C9%29,9.0,0.0157251600176096,15.0,1.0,0.0,0.0,6.0,0.0,9.0,0.125400006771088,0.0,26.099100112915,1.6710000038147,0.0,1.12999999523163,
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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%29,49.0,21.2023410797119,109.0,3.0,20.0,0.0,8.0,50.0,3.0,-4.60459995269775,31.0,161.808502197266,1.73099994659424,0.0,3.44000005722046,
InChI%3D1S%2FC2H6N2O%2Fc1-3-4%282%295%2Fh1-2H3,4.0,1.00520670413971,11.0,0.0,0.0,0.0,0.0,5.0,3.0,-1.0025999546051,0.0,14.775899887085,0.23199999332428,0.0,1.35000002384186,
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%29,21.0,0.14508481323719,28.0,0.0,0.0,11.0,1.0,3.0,10.0,-0.380899995565414,2.0,25.6646995544434,3.32699990272522,11.0,2.00999999046326,
InChI%3D1S%2FC7H8O2%2Fc1-5-2-3-6%288%297%289%294-5%2Fh2-4%2C8-9H%2C1H3,9.0,0.0776179581880569,17.0,0.0,0.0,6.0,2.0,0.0,8.0,-0.278600007295609,0.0,10.6312999725342,1.62199997901917,6.0,2.00999999046326,
InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H,3.0,2.6153359413147,5.0,0.0,0.0,0.0,0.0,4.0,0.0,1.6172000169754,0.0,21.364200592041,2.07399988174438,0.0,1.24000000953674,
InChI%3D1S%2FC5H12N2O4%2Fc8-2-1-7%286-11%293-5%2810%294-9%2Fh5%2C8-10H%2C1-4H2,10.0,2.24610161781311,23.0,0.0,3.0,0.0,3.0,11.0,3.0,-1.49870002269745,6.0,38.597599029541,-2.36500000953674,0.0,1.35000002384186,
InChI%3D1S%2FC4H5NS%2Fc1-2-3-5-4-6%2Fh2H%2C1%2C3H2,5.0,0.576384663581848,11.0,0.0,3.0,0.0,0.0,6.0,3.0,0.759199976921082,2.0,30.1049995422363,1.72099995613098,0.0,1.67999994754791,
InChI%3D1S%2FC11H14O2%2Fc1-4-5-9-6-7-10%2812-2%2911%288-9%2913-3%2Fh4%2C6-8H%2C1%2C5H2%2C2-3H3,13.0,0.855809986591339,27.0,0.0,3.0,6.0,0.0,3.0,8.0,0.925100028514862,4.0,29.5333995819092,3.00300002098083,6.0,2.45000004768372,
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%2C1-2H3,20.0,0.148764491081238,36.0,0.0,2.0,12.0,1.0,2.0,17.0,-0.385699987411499,4.0,29.1723003387451,4.19600009918213,12.0,2.89000010490417,
InChI%3D1S%2FC11H23NO2%2Fc12-10-8-6-4-2-1-3-5-7-9-11%2813%2914%2Fh1-10%2C12H2%2C%28H%2C13%2C14%29,13.0,10.5449571609497,37.0,0.0,11.0,0.0,2.0,14.0,3.0,-3.24729990959167,10.0,43.9956016540527,2.89299988746643,0.0,2.33999991416931,
InChI%3D1S%2FC4H5N3O3%2Fc8-3-1-2-7%286-10%294%289%295-3%2Fh1-2H2%2C%28H%2C5%2C8%2C9%29,10.0,0.160240083932877,15.0,0.0,0.0,0.0,1.0,1.0,8.0,-0.400299996137619,1.0,31.1375007629395,-0.819000005722046,0.0,1.24000000953674,
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%29,25.0,0.00986049044877291,45.0,1.0,3.0,12.0,1.0,7.0,7.0,0.0992999970912933,4.0,38.6148986816406,7.44000005722046,12.0,3.32999992370605,
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%2C17H%2C1-2H3%2C%28H%2C16%2C19%29,21.0,0.0943104103207588,35.0,0.0,2.0,6.0,2.0,4.0,18.0,0.307099997997284,3.0,53.9188995361328,3.38599991798401,6.0,2.55999994277954,
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%2C1H3,24.0,0.467445701360703,43.0,1.0,4.0,12.0,0.0,7.0,12.0,-0.683700025081635,9.0,33.7296981811523,6.59200000762939,12.0,3.10999989509583,
InChI%3D1S%2FC7H9NO2S%2Fc1-6-4-2-3-5-7%286%2911%288%2C9%2910%2Fh2-5H%2C1H3%2C%28H2%2C8%2C9%2C10%29,11.0,0.0867302492260933,20.0,0.0,0.0,6.0,1.0,3.0,10.0,-0.29449999332428,1.0,16.6436996459961,1.20299994945526,6.0,1.78999996185303,
InChI%3D1S%2FC20H14N2O10S3%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%2Fh1-10%2C21H%2C%28H%2C24%2C25%2C26%29%28H%2C27%2C28%2C29%29%28H%2C30%2C31%2C32%29,38.0,4.21563005447388,49.0,1.0,0.0,17.0,,3.0,35.0,-2.05320000648499,5.0,58.2508010864258,1.3309999704361,16.0,2.00999999046326,
InChI%3D1S%2FC21H27NO7%2Fc1-6-15-11-13%282%2921%284%2C29-14%283%2923%2920%2826%2927-12-16-7-9-22%285%2910-8-17%2818%2816%2924%2928-19%2815%2925%2Fh6-7%2C11%2C13%2C17H%2C1%2C8-10%2C12H2%2C2-5H3,30.0,0.515380382537842,56.0,0.0,2.0,0.0,,4.0,7.0,0.717899978160858,3.0,103.52619934082,1.22800004482269,0.0,2.89000010490417,
InChI%3D1S%2FC4H8N4O2%2Fc9-5-7-2-1-3-8%284-7%296-10%2Fh1-4H2,10.0,0.237071603536606,18.0,0.0,0.0,0.0,0.0,2.0,3.0,-0.486900001764297,2.0,33.8841018676758,-0.017000000923872,0.0,1.24000000953674,
InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296,5.0,5.89906930923462,6.0,0.0,2.0,0.0,0.0,6.0,2.0,2.42880010604858,0.0,30.9454002380371,3.02600002288818,0.0,1.24000000953674,
InChI%3D1S%2FC14H16N2%2Fc1-9-7-11%283-5-13%289%2915%2912-4-6-14%2816%2910%282%298-12%2Fh3-8H%2C15-16H2%2C1-2H3,17.0,0.0465696416795254,32.0,0.0,0.0,12.0,2.0,0.0,14.0,-0.215800002217293,1.0,19.4484004974365,3.34599995613098,12.0,2.77999997138977,
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%2C1-2H3,23.0,1.8856782913208,34.0,1.0,0.0,12.0,0.0,3.0,20.0,-1.37320005893707,5.0,29.5146007537842,6.3899998664856,12.0,2.55999994277954,
InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H,11.0,0.0,18.0,1.0,0.0,11.0,0.0,0.0,10.0,0.0,0.0,0.0,5.93800020217896,10.0,2.55999994277954,
InChI%3D1S%2FC2H4O%2Fc1-2-3-1%2Fh1-2H2,3.0,0.0171348098665476,7.0,0.0,0.0,0.0,0.0,0.0,0.0,-0.130899995565414,0.0,11.0434999465942,-0.189999997615814,0.0,1.57000005245209,
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%2C1-4H3,27.0,0.153663992881775,53.0,0.0,2.0,0.0,1.0,2.0,5.0,0.391999989748001,0.0,94.714599609375,1.02699995040894,0.0,2.77999997138977,
InChI%3D1S%2FC4H8O%2Fc1-2-4-3-5-4%2Fh4H%2C2-3H2%2C1H3,5.0,0.184556156396866,13.0,0.0,2.0,0.0,0.0,2.0,0.0,-0.42960000038147,1.0,18.5394992828369,0.628000020980835,0.0,1.78999996185303,
InChI%3D1S%2FC4H10N2O2%2Fc1-4%287%293-6%282%295-8%2Fh4%2C7H%2C3H2%2C1-2H3,7.0,0.210956484079361,18.0,0.0,3.0,0.0,1.0,8.0,3.0,-0.459300011396408,3.0,30.9272003173828,-0.523999989032745,0.0,1.46000003814697,
InChI%3D1S%2FC6H10N2O2%2Fc1-3-4-8%287-10%295-6%282%299%2Fh3H%2C1%2C4-5H2%2C2H3,9.0,0.0223801601678133,20.0,0.0,3.0,0.0,0.0,10.0,3.0,0.149599999189377,5.0,38.8488998413086,-0.0130000002682209,0.0,1.67999994754791,
InChI%3D1S%2FC12H15ClO3%2Fc1-4-15-11%2814%2912%282%2C3%2916-10-7-5-9%2813%296-8-10%2Fh5-8H%2C4H2%2C1-3H3,16.0,2.09062671661377,31.0,0.0,3.0,6.0,0.0,9.0,7.0,1.44589996337891,5.0,37.2849006652832,3.21000003814697,6.0,2.33999991416931,
InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2,2.0,1.00400400161743,6.0,0.0,0.0,0.0,0.0,3.0,2.0,1.00199997425079,0.0,14.7774000167847,1.54900002479553,0.0,1.57000005245209,
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%2C1-6H3,30.0,0.19412836432457,62.0,0.0,5.0,0.0,2.0,14.0,5.0,0.440600007772446,10.0,106.569602966309,0.513999998569489,0.0,2.89000010490417,
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%2C1-6H2,20.0,0.864714026451111,30.0,0.0,0.0,0.0,0.0,0.0,11.0,-0.929899990558624,3.0,66.2043991088867,0.744000017642975,0.0,2.23000001907349,
InChI%3D1S%2FC2H3Br%2Fc1-2-3%2Fh2H%2C1H2,2.0,1.17939603328705,6.0,0.0,0.0,0.0,0.0,3.0,2.0,1.08599996566772,0.0,17.5953998565674,1.72500002384186,0.0,1.57000005245209,
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%2C1-2H3,21.0,0.483442097902298,38.0,0.0,2.0,12.0,0.0,5.0,16.0,0.695299983024597,5.0,24.3218994140625,3.86500000953674,12.0,2.55999994277954,
InChI%3D1S%2FC13H12N4%2Fc1-17-11-7-10%289-5-3-2-4-6-9%298-15-12%2811%2916-13%2817%2914%2Fh2-8H%2C1H3%2C%28H2%2C14%2C15%2C16%29,19.0,0.134835839271545,29.0,0.0,0.0,12.0,2.0,0.0,16.0,-0.36719998717308,1.0,16.8964004516602,4.9539999961853,12.0,2.45000004768372,
InChI%3D1S%2FC2HCl2F3%2Fc3-1%284%292%285%2C6%297%2Fh1H,6.0,5.27942514419556,8.0,0.0,2.0,0.0,0.0,7.0,0.0,2.29769992828369,1.0,21.816499710083,2.81800007820129,0.0,1.12999999523163,
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%29,16.0,0.391876012086868,21.0,0.0,0.0,10.0,2.0,2.0,15.0,-0.625999987125397,3.0,20.8824996948242,0.989000022411346,10.0,1.35000002384186,
InChI%3D1S%2FC5H11N3O3%2Fc1-2-8%287-11%295%2810%296-3-4-9%2Fh9H%2C2-4H2%2C1H3%2C%28H%2C6%2C10%29,10.0,0.000207360004424118,22.0,0.0,2.0,0.0,2.0,11.0,6.0,0.0143999997526407,5.0,38.9272994995117,-0.633000016212463,0.0,1.35000002384186,
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%29,20.0,5.96531772613525,23.0,0.0,0.0,0.0,2.0,3.0,3.0,2.4423999786377,2.0,71.7750015258789,1.2849999666214,0.0,1.35000002384186,
InChI%3D1S%2FC6H13NO2S%2Fc1-2-10-4-3-5%287%296%288%299%2Fh5H%2C2-4%2C7H2%2C1H3%2C%28H%2C8%2C9%29,9.0,0.230304002761841,23.0,0.0,4.0,0.0,2.0,10.0,3.0,-0.479900002479553,5.0,40.1720008850098,-1.49500000476837,0.0,1.67999994754791,
InChI%3D1S%2FC2H5NS%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29,3.0,0.30869135260582,9.0,0.0,2.0,0.0,1.0,4.0,2.0,0.555599987506866,0.0,20.3145999908447,0.742999970912933,0.0,1.46000003814697,
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%2C1H3,25.0,2.83383560180664,43.0,1.0,4.0,12.0,0.0,4.0,18.0,-1.68340003490448,5.0,34.6782989501953,5.66400003433228,12.0,3.10999989509583,
InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H,3.0,3.31604099273682,5.0,0.0,0.0,0.0,0.0,4.0,0.0,1.82099997997284,0.0,24.172700881958,2.41199994087219,0.0,1.24000000953674,
InChI%3D1S%2FC6H12N2O2%2Fc1-3-4-8%287-10%295-6%282%299%2Fh3%2C6%2C9H%2C1%2C4-5H2%2C2H3,9.0,0.0248062498867512,22.0,0.0,3.0,0.0,1.0,10.0,3.0,0.157499998807907,5.0,40.089900970459,0.090999998152256,0.0,1.67999994754791,
InChI%3D1S%2FC3H7N3O3%2Fc4-3%288%296%285-9%291-2-7%2Fh7H%2C1-2H2%2C%28H2%2C4%2C8%29,8.0,0.0130188101902604,16.0,0.0,2.0,0.0,3.0,9.0,6.0,-0.114100001752377,4.0,29.1236000061035,-0.857999980449677,0.0,1.12999999523163,
InChI%3D1S%2FC3H6O3S%2Fc4-7%285%293-1-2-6-7%2Fh1-3H2,7.0,0.432437747716904,13.0,0.0,0.0,0.0,0.0,0.0,4.0,-0.657599985599518,0.0,22.3278007507324,-0.78600001335144,0.0,1.35000002384186,
InChI%3D1S%2FC12H12N2%2Fc13-11-5-1-9%282-6-11%2910-3-7-12%2814%298-4-10%2Fh1-8H%2C13-14H2,15.0,2.24940013885498,26.0,0.0,0.0,12.0,2.0,0.0,14.0,-1.49979996681213,1.0,8.44419956207275,3.12199997901917,12.0,2.55999994277954,
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%2C1-6H2,19.0,18.3655109405518,35.0,1.0,3.0,0.0,0.0,20.0,5.0,4.28550004959106,12.0,83.1691970825195,4.01100015640259,0.0,1.24000000953674,
InChI%3D1S%2FC32H40BrN5O5%2Fc1-16%282%2912-24-29%2840%2937-11-7-10-25%2837%2932%2842%2938%2824%2930%2841%2931%2843-32%2C17%283%294%2935-28%2839%2918-13-20-19-8-6-9-22-26%2819%2921%2827%2833%2934-22%2914-23%2820%2936%285%2915-18%2Fh6%2C8-9%2C13%2C16-18%2C23-25%2C34%2C42H%2C7%2C10-12%2C14-15H2%2C1-5H3%2C%28H%2C35%2C39%29,49.0,0.235322013497353,82.0,0.0,3.0,10.0,3.0,4.0,9.0,0.485100001096725,5.0,126.259002685547,3.7590000629425,6.0,3.76999998092651,
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%29,18.0,0.101251237094402,23.0,0.0,2.0,10.0,2.0,4.0,16.0,0.318199992179871,3.0,26.1991996765137,1.28699994087219,10.0,1.35000002384186,
InChI%3D1S%2FC2H6N2O2%2Fc1-3%282%294%285%296%2Fh1-2H3,5.0,0.12482088804245,12.0,0.0,0.0,0.0,0.0,6.0,4.0,-0.353300005197525,1.0,16.7791996002197,0.0769999995827675,0.0,1.24000000953674,
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%2C16-17H2,18.0,0.1980250030756,29.0,0.0,0.0,12.0,2.0,0.0,7.0,0.444999992847443,2.0,24.2763996124268,3.46099996566772,12.0,2.45000004768372,
InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H,5.0,0.0237468108534813,9.0,0.0,0.0,5.0,0.0,0.0,5.0,-0.154100000858307,0.0,1.61909997463226,1.01800000667572,5.0,1.78999996185303,
InChI%3D1S%2FC4H9N3O2%2Fc1-2-3-7%286-9%294%285%298%2Fh2-3H2%2C1H3%2C%28H2%2C5%2C8%29,8.0,0.00958441011607647,18.0,0.0,3.0,0.0,2.0,9.0,6.0,0.097900003194809,4.0,30.6571006774902,0.632000029087067,0.0,1.35000002384186,
InChI%3D1S%2FC4H7Cl2O4P%2Fc1-8-11%287%2C9-2%2910-3-4%285%296%2Fh3H%2C1-2H3,10.0,1.06750226020813,18.0,0.0,2.0,0.0,0.0,11.0,7.0,1.03320002555847,4.0,42.2757987976074,1.20700001716614,0.0,1.12999999523163,
InChI%3D1S%2FC12H27O4P%2Fc1-4-7-10-14-17%2813%2C15-11-8-5-2%2916-12-9-6-3%2Fh4-12H2%2C1-3H3,16.0,2.68304395675659,44.0,1.0,4.0,0.0,0.0,17.0,5.0,-1.63800001144409,12.0,60.3110008239746,3.35999989509583,0.0,2.23000001907349,
InChI%3D1S%2FC5H9NO%2Fc7-6-5-3-1-2-4-5%2Fh7H%2C1-4H2,7.0,0.530420899391174,16.0,0.0,0.0,0.0,1.0,2.0,3.0,-0.728299975395203,0.0,23.8024997711182,0.593999981880188,0.0,1.78999996185303,
InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3,13.0,0.301181435585022,19.0,0.0,0.0,6.0,0.0,3.0,12.0,0.548799991607666,2.0,11.273699760437,2.68199992179871,6.0,1.57000005245209,
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,27.0,1.68117153644562,38.0,0.0,0.0,18.0,2.0,0.0,9.0,-1.29659998416901,2.0,13.7238998413086,4.90999984741211,18.0,3.22000002861023,
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%29,96.0,29.7897644042969,182.0,2.0,0.0,6.0,6.0,3.0,11.0,-5.45800018310547,8.0,289.450012207031,1.51999998092651,6.0,5.19999980926514,
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%2920,25.0,20.239200592041,21.0,0.0,0.0,0.0,0.0,0.0,2.0,4.4987998008728,0.0,83.1997985839844,3.7260000705719,0.0,1.35000002384186,
InChI%3D1S%2FC10H16%2Fc1-8%282%2910-6-4-9%283%295-7-10%2Fh4%2C10H%2C1%2C5-7H2%2C2-3H3,10.0,4.58987760543823,26.0,0.0,0.0,0.0,0.0,2.0,2.0,2.14240002632141,1.0,46.0152015686035,3.72900009155273,0.0,2.55999994277954,
InChI%3D1S%2FC7H6N2O4%2Fc1-5-6%288%2810%2911%293-2-4-7%285%299%2812%2913%2Fh2-4H%2C1H3,13.0,0.301181435585022,19.0,0.0,0.0,6.0,0.0,3.0,12.0,0.548799991607666,2.0,11.273699760437,2.68199992179871,6.0,1.57000005245209,
InChI%3D1S%2FC12H12N2O%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,16.0,2.73538517951965,27.0,0.0,0.0,12.0,2.0,0.0,15.0,-1.65390002727509,2.0,10.0633001327515,2.62400007247925,12.0,2.45000004768372,
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%29,23.0,0.816854417324066,40.0,0.0,2.0,11.0,4.0,5.0,6.0,-0.903800010681152,5.0,36.6338005065918,3.8050000667572,6.0,2.45000004768372,
InChI%3D1S%2FC6H11N3O3%2Fc1-3-9%288-12%296%2811%297-4-5%282%2910%2Fh3-4H2%2C1-2H3%2C%28H%2C7%2C11%29,11.0,0.0483999997377396,23.0,0.0,3.0,0.0,1.0,12.0,6.0,0.219999998807907,5.0,42.4575004577637,-0.623000025749207,0.0,1.46000003814697,
InChI%3D1S%2FC14H19N3S%2Fc1-16%282%299-10-17%2812-13-6-5-11-18-13%2914-7-3-4-8-15-14%2Fh3-8%2C11H%2C9-10%2C12H2%2C1-2H3,19.0,0.733420968055725,37.0,0.0,2.0,11.0,0.0,7.0,7.0,0.856400012969971,6.0,39.119499206543,2.95000004768372,11.0,2.55999994277954,
InChI%3D1S%2FC7H14N2O%2Fc10-8-9-6-4-2-1-3-5-7-9%2Fh1-7H2,10.0,2.34273624420166,24.0,0.0,0.0,0.0,0.0,2.0,3.0,-1.53059995174408,1.0,32.6394996643066,1.74500000476837,0.0,1.89999997615814,
InChI%3D1S%2FC10H22N2O%2Fc1-3-5-7-9-12%2811-13%2910-8-6-4-2%2Fh3-10H2%2C1-2H3,12.0,2.94465589523315,35.0,0.0,5.0,0.0,0.0,13.0,3.0,-1.71599996089935,9.0,47.3484992980957,3.56299996376038,0.0,2.23000001907349,
InChI%3D1S%2FC19H17N3%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%2Fh1-12%2C20H%2C21-22H2,24.0,0.650603532791138,39.0,0.0,0.0,12.0,3.0,0.0,22.0,-0.806599974632263,2.0,43.4127006530762,4.1710000038147,12.0,3.22000002861023,
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%2C4-5H2,17.0,0.00611524004489183,24.0,0.0,0.0,11.0,0.0,3.0,13.0,0.0781999975442886,1.0,12.6166000366211,4.86499977111816,10.0,2.45000004768372,
InChI%3D1S%2FC2H4Br2%2Fc3-1-2-4%2Fh1-2H2,3.0,3.24288058280945,8.0,0.0,2.0,0.0,0.0,4.0,0.0,1.80079996585846,1.0,26.6226005554199,2.41599988937378,0.0,1.46000003814697,
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%2C1H3,22.0,0.00459684012457728,29.0,0.0,0.0,12.0,0.0,2.0,19.0,0.0678000003099442,1.0,19.0799007415771,3.65100002288818,12.0,2.55999994277954,
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%2C1-2H3,27.0,0.0775065571069717,50.0,0.0,2.0,0.0,2.0,2.0,5.0,-0.278400003910065,1.0,88.6892013549805,0.5,0.0,2.67000007629395,
InChI%3D1S%2FC4H8%2Fc1-4%282%293%2Fh1H2%2C2-3H3,3.0,3.22525691986084,12.0,0.0,3.0,0.0,0.0,4.0,2.0,1.79589998722076,0.0,19.9312992095947,1.84800004959106,0.0,1.89999997615814,
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,24.0,0.0,32.0,1.0,0.0,24.0,0.0,0.0,20.0,0.0,0.0,0.0,10.2119998931885,20.0,3.66000008583069,
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%29,18.0,0.0327610000967979,23.0,0.0,0.0,10.0,2.0,4.0,17.0,-0.180999994277954,4.0,25.4272003173828,2.51999998092651,10.0,1.35000002384186,
InChI%3D1S%2FC7H5NS2%2Fc9-7-8-5-3-1-2-4-6%285%2910-7%2Fh1-4H%2C%28H%2C8%2C9%29,11.0,1.21352255344391,15.0,0.0,0.0,10.0,1.0,0.0,9.0,1.10160005092621,0.0,16.4850997924805,2.52800011634827,9.0,1.89999997615814,
InChI%3D1S%2FC12H10N2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10H,15.0,0.0,24.0,1.0,0.0,12.0,0.0,2.0,14.0,0.0,2.0,0.0,6.09999990463257,12.0,2.55999994277954,
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%2C1-4H3,27.0,0.500839293003082,43.0,0.0,0.0,12.0,0.0,2.0,19.0,0.70770001411438,1.0,46.9622001647949,3.75,12.0,3.22000002861023,
InChI%3D1S%2FC3H3N3O3%2Fc7-2-1-6%285-9%293%288%294-2%2Fh1H2%2C%28H%2C4%2C7%2C8%29,9.0,0.420552253723145,12.0,0.0,0.0,0.0,1.0,1.0,8.0,-0.648500025272369,1.0,26.4381008148193,-0.976999998092651,0.0,1.12999999523163,
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%2C1-3H3,22.0,1.42922019958496,38.0,1.0,3.0,12.0,0.0,8.0,13.0,1.19550001621246,5.0,32.9911003112793,5.1729998588562,12.0,2.89000010490417,
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,19.0,0.975946426391602,25.0,0.0,0.0,12.0,1.0,0.0,17.0,-0.987900018692017,0.0,13.2566003799438,2.68899989128113,12.0,2.67000007629395,
InChI%3D1S%2FC7H7N3O2%2Fc1-10%289-12%297-4-2-6%288-11%293-5-7%2Fh2-5H%2C1H3,12.0,0.00121103995479643,19.0,0.0,0.0,6.0,0.0,4.0,11.0,-0.0348000004887581,3.0,15.7966995239258,1.59200000762939,6.0,1.67999994754791,
InChI%3D1S%2FC7H3Cl5O%2Fc1-13-7-5%2811%293%289%292%288%294%2810%296%287%2912%2Fh1H3,13.0,13.4666976928711,16.0,0.0,0.0,6.0,0.0,2.0,7.0,3.66969990730286,1.0,35.393798828125,2.83200001716614,6.0,1.57000005245209,
InChI%3D1S%2FC2H5NO%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29,3.0,0.00514088990166783,9.0,0.0,2.0,0.0,2.0,4.0,3.0,-0.0716999992728233,0.0,13.9007997512817,0.32600000500679,0.0,1.46000003814697,
InChI%3D1S%2FC11H16N4O4%2Fc16-8-4-14%285-9%2817%2912-8%292-1-3-15-6-10%2818%2913-11%2819%297-15%2Fh1-7H2%2C%28H%2C12%2C16%2C17%29%28H%2C13%2C18%2C19%29,20.0,7.55260324478149,35.0,0.0,3.0,0.0,2.0,3.0,5.0,-2.74819993972778,4.0,62.8157997131348,-1.40199995040894,0.0,1.78999996185303,
InChI%3D1S%2FC6H7N3O%2Fc7-9-6%2810%295-1-3-8-4-2-5%2Fh1-4H%2C7H2%2C%28H%2C9%2C10%29,10.0,1.51363813877106,17.0,0.0,0.0,6.0,2.0,4.0,10.0,-1.230299949646,2.0,12.7256002426147,-0.570999979972839,6.0,1.67999994754791,
InChI%3D1S%2FC8H16N2O3%2Fc1-3-5-6-7-10%289-12%298%2811%2913-4-2%2Fh3-7H2%2C1-2H3,12.0,0.0181980095803738,29.0,0.0,5.0,0.0,0.0,13.0,6.0,-0.134900003671646,8.0,44.2860984802246,2.22900009155273,0.0,1.78999996185303,
InChI%3D1S%2FC3H5N3O4%2Fc4-3%289%296%285-10%291-2%287%298%2Fh1H2%2C%28H2%2C4%2C9%29%28H%2C7%2C8%29,9.0,0.0140659604221582,15.0,0.0,2.0,0.0,3.0,10.0,6.0,-0.118600003421307,4.0,28.9158992767334,-0.767000019550323,0.0,1.01999998092651,
InChI%3D1S%2FC6H6N2O3%2Fc7-5-3-4%288%2810%2911%291-2-6%285%299%2Fh1-3%2C9H%2C7H2,11.0,1.57954621315002,17.0,0.0,0.0,6.0,2.0,3.0,11.0,-1.25680005550385,1.0,9.67249965667725,1.11899995803833,6.0,1.57000005245209,
InChI%3D1S%2FC3H6O2%2Fc4-1-3-2-5-3%2Fh3-4H%2C1-2H2,5.0,0.411650568246841,11.0,0.0,0.0,0.0,1.0,2.0,0.0,-0.641600012779236,1.0,17.0060005187988,-0.861999988555908,0.0,1.57000005245209,
InChI%3D1S%2FC3H5NO%2Fc1-2-3%284%295%2Fh2H%2C1H2%2C%28H2%2C4%2C5%29,4.0,0.269568651914597,10.0,0.0,3.0,0.0,2.0,5.0,5.0,0.519200026988983,1.0,18.5485000610352,0.617999970912933,0.0,1.57000005245209,
InChI%3D1S%2FCH3NO2%2Fc1-2%283%294%2Fh1H3,3.0,0.0787363573908806,7.0,0.0,0.0,0.0,0.0,4.0,2.0,-0.280600011348724,0.0,8.30230045318604,0.34799998998642,0.0,1.24000000953674,
InChI%3D1S%2FC2H4N4%2Fc3-2-4-1-5-6-2%2Fh1H%2C%28H3%2C3%2C4%2C5%2C6%29,6.0,0.782163381576538,12.0,0.0,0.0,0.0,4.0,0.0,5.0,-0.884400010108948,0.0,18.7336006164551,0.347000002861023,0.0,1.24000000953674,
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%29,14.0,0.0447745583951473,25.0,0.0,0.0,5.0,2.0,4.0,3.0,-0.211600005626678,3.0,36.8414001464844,-0.109999999403954,0.0,1.46000003814697,
InChI%3D1S%2FC6H8O%2Fc1-2-3-4-5-6-7%2Fh2-6H%2C1H3,6.0,1.15777599811554,15.0,0.0,6.0,0.0,0.0,7.0,6.0,1.07599997520447,2.0,32.5885009765625,1.5110000371933,0.0,2.00999999046326,
InChI%3D1S%2FC7H5NO4%2Fc9-7%2810%295-1-3-6%284-2-5%298%2811%2912%2Fh1-4H%2C%28H%2C9%2C10%29,12.0,0.0820249617099762,17.0,0.0,0.0,6.0,1.0,3.0,12.0,-0.286399990320206,2.0,10.1050996780396,1.91999995708466,6.0,1.67999994754791,
InChI%3D1S%2FC8Cl4N2%2Fc9-5-3%281-13%296%2810%298%2812%297%2811%294%285%292-14,14.0,9.28177165985107,14.0,0.0,0.0,6.0,0.0,2.0,10.0,3.0466001033783,0.0,34.8596000671387,1.87600004673004,6.0,1.67999994754791,
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%29,15.0,1.38109505176544,24.0,0.0,0.0,11.0,4.0,2.0,14.0,-1.17519998550415,2.0,20.5997009277344,1.28799998760223,11.0,1.89999997615814,
InChI%3D1S%2FC7H10N2%2Fc1-5-2-3-6%288%294-7%285%299%2Fh2-4H%2C8-9H2%2C1H3,9.0,0.735820829868317,19.0,0.0,0.0,6.0,2.0,0.0,8.0,-0.857800006866455,0.0,13.9462995529175,0.84799998998642,6.0,2.00999999046326,
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%29,18.0,2.52905416488647,40.0,0.0,5.0,6.0,1.0,10.0,7.0,1.59029996395111,6.0,45.9565010070801,3.74799990653992,6.0,2.77999997138977,
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%2C1-2H3,24.0,0.0306250005960464,49.0,0.0,0.0,0.0,1.0,0.0,2.0,0.174999997019768,0.0,82.4268035888672,3.03500008583069,0.0,3.32999992370605,
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%2C1-5H3,28.0,0.222029432654381,58.0,0.0,5.0,0.0,2.0,12.0,5.0,0.471199989318848,9.0,99.7536010742188,0.904999971389771,0.0,2.89000010490417,
InChI%3D1S%2FC9H6O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-6H,12.0,3.72100003005471e-05,19.0,0.0,0.0,6.0,0.0,0.0,9.0,0.00609999988228083,0.0,15.7062997817993,2.45099997520447,6.0,2.23000001907349,
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%2C2H3,25.0,0.364936798810959,46.0,0.0,2.0,6.0,2.0,2.0,7.0,0.604099988937378,0.0,60.8055992126465,4.66699981689453,6.0,3.44000005722046,
InChI%3D1S%2FC4H10N2O3%2Fc1-6%285-9%292-4%288%293-7%2Fh4%2C7-8H%2C2-3H2%2C1H3,8.0,0.920256495475769,19.0,0.0,3.0,0.0,2.0,9.0,3.0,-0.959299981594086,4.0,32.3053016662598,-1.65600001811981,0.0,1.35000002384186,
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%29,18.0,0.166464000940323,29.0,0.0,2.0,12.0,1.0,4.0,15.0,0.407999992370605,2.0,14.7733001708984,4.97399997711182,12.0,2.67000007629395,
InChI%3D1S%2FC6H7ClN2%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3H%2C8-9H2,9.0,0.570780277252197,16.0,0.0,0.0,6.0,2.0,0.0,8.0,-0.755500018596649,0.0,14.0598001480103,0.832000017166138,6.0,1.78999996185303,
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%2C1H3,24.0,0.208209693431854,37.0,1.0,2.0,17.0,0.0,4.0,21.0,0.456299990415573,4.0,24.672399520874,5.81799983978271,16.0,3.0,
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%2C18H%2C1H3,25.0,0.0277888905256987,36.0,1.0,0.0,12.0,1.0,2.0,22.0,0.166700005531311,3.0,33.880500793457,6.9210000038147,12.0,2.67000007629395,
InChI%3D1S%2FC2H2ClF3%2Fc3-1-2%284%2C5%296%2Fh1H2,5.0,3.43731594085693,8.0,0.0,2.0,0.0,0.0,6.0,0.0,1.85399997234344,1.0,16.7623996734619,2.40000009536743,0.0,1.24000000953674,
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%29,32.0,0.251502245664597,56.0,0.0,7.0,16.0,3.0,11.0,17.0,-0.501500010490417,8.0,55.8894996643066,4.95800018310547,15.0,3.44000005722046,
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%2C1-3H3,25.0,0.321942746639252,46.0,0.0,0.0,0.0,2.0,0.0,3.0,-0.567399978637695,0.0,78.9782028198242,0.0179999992251396,0.0,2.45000004768372,
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%29,17.0,0.260508149862289,24.0,0.0,0.0,5.0,1.0,2.0,14.0,-0.510399997234344,3.0,32.2709999084473,1.52999997138977,5.0,1.46000003814697,
InChI%3D1S%2FC4H6O2%2Fc1-3-6-4%282%295%2Fh3H%2C1H2%2C2H3,5.0,0.0110880900174379,12.0,0.0,2.0,0.0,0.0,6.0,5.0,0.10530000180006,2.0,21.1049995422363,0.694000005722046,0.0,1.67999994754791,
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%29,13.0,0.0154008101671934,25.0,0.0,2.0,6.0,3.0,4.0,11.0,0.124099999666214,4.0,22.5870990753174,2.53900003433228,6.0,2.00999999046326,
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%2C1-6H3,24.0,17.3388957977295,56.0,1.0,9.0,0.0,0.0,15.0,10.0,4.16400003433228,7.0,105.91429901123,6.89799976348877,0.0,3.66000008583069,
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%29,18.0,0.0350812897086143,27.0,0.0,0.0,10.0,1.0,4.0,15.0,0.187299996614456,4.0,29.889799118042,1.76800000667572,10.0,1.57000005245209,
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%29,14.0,0.0957283601164818,20.0,0.0,0.0,5.0,3.0,6.0,14.0,-0.309399992227554,4.0,23.0333995819092,2.30399990081787,5.0,1.24000000953674,
InChI%3D1S%2FC4H6Cl2%2Fc5-3-1-2-4-6%2Fh1-2H%2C3-4H2,5.0,3.91881608963013,12.0,0.0,4.0,0.0,0.0,6.0,2.0,1.97959995269775,2.0,30.9741992950439,1.94000005722046,0.0,1.67999994754791,
InChI%3D1S%2FC13H28N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-13-15%282%2914-16%2Fh3-13H2%2C1-2H3,15.0,8.00097751617432,44.0,2.0,12.0,0.0,0.0,16.0,3.0,-2.82859992980957,12.0,54.0806999206543,5.6269998550415,0.0,2.55999994277954,
InChI%3D1S%2FC3H3N%2Fc1-2-3-4%2Fh2H%2C1H2,3.0,0.403860241174698,7.0,0.0,3.0,0.0,0.0,4.0,4.0,0.635500013828278,0.0,16.2707004547119,0.319999992847443,0.0,1.67999994754791,
InChI%3D1S%2FC2H5N5O3%2Fc1-6%285-8%292%283%294-7%289%2910%2Fh1H3%2C%28H2%2C3%2C4%29,9.0,0.00026569000328891,15.0,0.0,0.0,0.0,2.0,10.0,9.0,-0.0163000002503395,4.0,25.9393005371094,0.47299998998642,0.0,0.800000011920929,
InChI%3D1S%2FC6H12N2OS2%2Fc1-4-8%287-9%295%282%2911-6%283%2910-4%2Fh4-6H%2C1-3H3,11.0,6.18666124343872,23.0,0.0,0.0,0.0,0.0,2.0,3.0,2.48729991912842,1.0,49.611499786377,1.8289999961853,0.0,1.57000005245209,
InChI%3D1S%2FC12H11N3%2Fc1-7-6-9-8-4-2-3-5-10%288%2914-12%289%2915-11%287%2913%2Fh2-6H%2C1H3%2C%28H3%2C13%2C14%2C15%29,17.0,0.0194323603063822,27.0,0.0,0.0,10.0,3.0,0.0,7.0,0.139400005340576,0.0,22.807300567627,2.93600010871887,6.0,2.45000004768372,
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%29,18.0,0.101251237094402,24.0,0.0,2.0,10.0,1.0,4.0,16.0,0.318199992179871,3.0,26.1991996765137,1.75300002098083,10.0,1.57000005245209,
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%2C1H3,15.0,1.18069958686829,30.0,0.0,4.0,6.0,1.0,9.0,6.0,-1.08659994602203,6.0,30.8516998291016,0.648000001907349,6.0,2.00999999046326,
InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H,12.0,10.635425567627,13.0,0.0,0.0,6.0,1.0,0.0,7.0,3.26119995117188,0.0,30.642599105835,2.31299996376038,6.0,1.46000003814697,
InChI%3D1S%2FC6H7N3O%2Fc1-9%288-10%296-4-2-3-5-7-6%2Fh2-5H%2C1H3,10.0,0.000132250002934597,17.0,0.0,0.0,6.0,0.0,4.0,9.0,-0.0115000000223517,2.0,14.3537998199463,1.16100001335144,6.0,1.67999994754791,
InChI%3D1S%2FC6H6ClN%2Fc7-4-6-2-1-3-8-5-6%2Fh1-3%2C5H%2C4H2,8.0,0.571384787559509,14.0,0.0,0.0,6.0,0.0,2.0,6.0,0.755900025367737,1.0,10.3277997970581,1.85399997234344,6.0,1.89999997615814,
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%2C1-2H3,25.0,1.94435131549835,54.0,1.0,4.0,6.0,0.0,12.0,8.0,-1.3944000005722,13.0,66.0001983642578,3.76500010490417,6.0,3.0,
InChI%3D1S%2FC17H22N2O%2Fc1-17%2820-14-13-19%282%293%2C15-9-5-4-6-10-15%2916-11-7-8-12-18-16%2Fh4-12H%2C13-14H2%2C1-3H3,21.0,0.0583222508430481,42.0,0.0,2.0,12.0,0.0,8.0,6.0,0.241500005125999,6.0,33.3703994750977,4.49900007247925,12.0,3.0,
InChI%3D1S%2FC4H8N2O2%2Fc7-4-1-2-6%283-4%295-8%2Fh4%2C7H%2C1-3H2,8.0,0.790854513645172,16.0,0.0,0.0,0.0,1.0,2.0,3.0,-0.889299988746643,1.0,26.9556007385254,-0.569999992847443,0.0,1.46000003814697,
InChI%3D1S%2FC37H30N4O10S3%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%2Fh4-21%2C40H%2C1-3H3%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29,59.0,0.000462249998236075,84.0,2.0,0.0,30.0,,4.0,51.0,0.0215000007301569,10.0,73.8294982910156,8.20300006866455,30.0,3.66000008583069,
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%29,20.0,0.112560249865055,29.0,0.0,2.0,12.0,1.0,4.0,17.0,-0.335500001907349,1.0,19.2467994689941,4.04500007629395,12.0,2.77999997138977,
InChI%3D1S%2FC10H14N2O2%2Fc1-8%2812%282%2911-14%2910%2813%299-6-4-3-5-7-9%2Fh3-8%2C10%2C13H%2C1-2H3,14.0,0.271753698587418,28.0,0.0,3.0,6.0,1.0,8.0,6.0,-0.52130001783371,4.0,29.6128997802734,2.4210000038147,6.0,2.11999988555908,
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%29,21.0,1.97796094417572,24.0,0.0,2.0,10.0,1.0,7.0,16.0,1.40639996528625,4.0,27.209400177002,2.45199990272522,10.0,1.24000000953674,
InChI%3D1S%2FC3H6FN3O2%2Fc4-1-2-7%286-9%293%285%298%2Fh1-2H2%2C%28H2%2C5%2C8%29,8.0,0.682110786437988,15.0,0.0,2.0,0.0,2.0,9.0,6.0,0.825900018215179,4.0,27.4314994812012,0.479000002145767,0.0,1.12999999523163,
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%29,19.0,0.215110436081886,37.0,0.0,3.0,6.0,2.0,7.0,7.0,0.463800013065338,8.0,52.6076011657715,0.514999985694885,6.0,2.23000001907349,
InChI%3D1S%2FC2H3F%2Fc1-2-3%2Fh2H%2C1H2,2.0,0.294957607984543,6.0,0.0,0.0,0.0,0.0,3.0,2.0,0.543099999427795,0.0,10.1890001296997,1.08800005912781,0.0,1.57000005245209,
InChI%3D1S%2FC12H14N4%2Fc13-9-3-1-7%285-11%289%2915%298-2-4-10%2814%2912%2816%296-8%2Fh1-6H%2C13-16H2,17.0,8.99760055541992,30.0,0.0,0.0,12.0,4.0,0.0,16.0,-2.99959993362427,1.0,16.8883991241455,0.639999985694885,12.0,2.33999991416931,
InChI%3D1S%2FC6H12N2O4%2Fc1-4%289%292-7-3-5%2810%296%2811%298-12%2Fh5-7%2C10-11H%2C2-3H2%2C1H3,11.0,5.20615482330322,24.0,0.0,3.0,0.0,,12.0,2.0,-2.28169989585876,6.0,36.5236015319824,-2.04999995231628,0.0,1.46000003814697,
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InChI%3D1S%2FC13H14N2%2Fc14-12-5-1-10%282-6-12%299-11-3-7-13%2815%298-4-11%2Fh1-8H%2C9%2C14-15H2,16.0,1.08910095691681,29.0,0.0,0.0,12.0,2.0,0.0,7.0,-1.04359996318817,2.0,13.0452003479004,3.69099998474121,12.0,2.67000007629395,
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InChI%3D1S%2FC5H11NO2%2Fc1-3-5%284-2%296%287%298%2Fh5H%2C3-4H2%2C1-2H3,7.0,0.465806245803833,19.0,0.0,5.0,0.0,0.0,8.0,2.0,-0.682500004768372,3.0,23.8108997344971,1.442999958992,0.0,1.67999994754791,
InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2,5.0,4.8651123046875,11.0,0.0,3.0,0.0,0.0,6.0,0.0,2.2056999206543,2.0,29.6690998077393,2.37899994850159,0.0,1.46000003814697,
InChI%3D1S%2FC12H5Cl5%2Fc13-8-3-1-2-6%2810%288%2915%297-4-5-9%2814%2912%2817%2911%287%2916%2Fh1-5H,18.0,13.8495626449585,22.0,1.0,0.0,12.0,0.0,0.0,12.0,3.72149991989136,1.0,28.0779991149902,5.23999977111816,12.0,2.23000001907349,
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InChI%3D1S%2FC8H8N2O2%2Fc1-10%289-12%298%2811%297-5-3-2-4-6-7%2Fh2-6H%2C1H3,12.0,0.0182249993085861,20.0,0.0,0.0,6.0,0.0,6.0,11.0,-0.135000005364418,3.0,19.2952995300293,2.46199989318848,6.0,1.89999997615814,
InChI%3D1S%2FC8H14O4%2Fc1-5-4-8%2811-6%282%299%2912-7%283%2910-5%2Fh5%2C7-8H%2C4H2%2C1-3H3,12.0,0.00504099996760488,26.0,0.0,0.0,0.0,0.0,4.0,3.0,-0.0710000023245811,2.0,38.7957992553711,1.24000000953674,0.0,1.89999997615814,
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%29,22.0,3.82241606712341,39.0,0.0,2.0,6.0,3.0,5.0,9.0,1.95510005950928,4.0,59.7943992614746,2.97399997711182,6.0,2.23000001907349,
InChI%3D1S%2FC9H14O%2Fc1-7-4-8%2810%296-9%282%2C3%295-7%2Fh4H%2C5-6H2%2C1-3H3,10.0,3.79821109771729,24.0,0.0,0.0,0.0,0.0,0.0,4.0,1.94889998435974,0.0,42.6464004516602,1.98199999332428,0.0,2.33999991416931,
InChI%3D1S%2FC7H6O3%2Fc8-5-1-2-6-7%283-5%2910-4-9-6%2Fh1-3%2C8H%2C4H2,11.0,0.582168996334076,16.0,0.0,0.0,6.0,1.0,0.0,9.0,-0.763000011444092,0.0,10.0367002487183,0.871999979019165,6.0,1.89999997615814,
InChI%3D1S%2FC7H15N3O%2Fc1-6-4-10%288-11%295-7%282%299%286%293%2Fh6-7H%2C4-5H2%2C1-3H3,11.0,0.000712890003342181,26.0,0.0,0.0,0.0,0.0,2.0,3.0,0.0266999993473291,1.0,45.269401550293,0.517000019550323,0.0,1.78999996185303,
InChI%3D1S%2FC7H7NO3%2Fc1-11-7-5-3-2-4-6%287%298%289%2910%2Fh2-5H%2C1H3,11.0,0.00968256033957005,18.0,0.0,0.0,6.0,0.0,2.0,10.0,-0.0983999967575073,2.0,10.2016000747681,2.23900008201599,6.0,1.78999996185303,
InChI%3D1S%2FC6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299,12.0,19.9433689117432,12.0,0.0,0.0,6.0,0.0,0.0,6.0,4.4657998085022,0.0,33.6935997009277,3.37199997901917,6.0,1.46000003814697,
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%29,16.0,0.0553190410137177,26.0,0.0,0.0,11.0,1.0,5.0,14.0,0.235200002789497,2.0,15.2441997528076,4.6729998588562,10.0,2.45000004768372,
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%29,19.0,1.24902975559235,38.0,0.0,4.0,6.0,1.0,7.0,7.0,1.11759996414185,9.0,52.5234985351562,4.29199981689453,6.0,2.45000004768372,
InChI%3D1S%2FC4H6N2O2%2Fc7-5-6-3-1-2-4-8-6%2Fh1-2H%2C3-4H2,8.0,0.0497736111283302,14.0,0.0,0.0,0.0,0.0,1.0,4.0,0.223100006580353,1.0,30.0191993713379,0.449000000953674,0.0,1.46000003814697,
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%29,22.0,0.845480263233185,30.0,1.0,2.0,12.0,1.0,7.0,15.0,0.91949999332428,3.0,18.4771003723145,5.91900014877319,12.0,2.55999994277954,
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,21.0,3.64237213134766,27.0,0.0,0.0,12.0,3.0,0.0,19.0,-1.90849995613098,0.0,18.385799407959,1.19200003147125,12.0,2.45000004768372,
InChI%3D1S%2FC6H10N3O6P%2Fc1-5-7-4-6%289%2810%2911%298%285%292-3-15-16%2812%2C13%2914%2Fh4H%2C2-3H2%2C1H3%2C%28H2%2C12%2C13%2C14%29,16.0,0.126025006175041,26.0,0.0,2.0,5.0,3.0,7.0,8.0,-0.354999989271164,5.0,33.9707984924316,-1.21200001239777,5.0,1.01999998092651,
InChI%3D1S%2FC17H23N3O%2Fc1-19%282%2912-13-20%2817-6-4-5-11-18-17%2914-15-7-9-16%2821-3%2910-8-15%2Fh4-11H%2C12-14H2%2C1-3H3,22.0,0.0457959994673729,44.0,0.0,2.0,12.0,0.0,7.0,7.0,0.214000001549721,7.0,38.6417999267578,3.18300008773804,12.0,2.89000010490417,
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%29,13.0,0.271128475666046,22.0,0.0,0.0,5.0,3.0,5.0,3.0,-0.520699977874756,3.0,26.0491008758545,-1.77999997138977,0.0,1.35000002384186,
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%2C1H3,27.0,0.68989634513855,37.0,0.0,0.0,6.0,0.0,2.0,11.0,-0.830600023269653,1.0,53.9277992248535,0.700999975204468,6.0,2.67000007629395,
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InChI%3D1S%2FC6H5Cl%2Fc7-6-4-2-1-3-5-6%2Fh1-5H,7.0,0.553982496261597,12.0,0.0,0.0,6.0,0.0,0.0,6.0,0.744300007820129,0.0,5.61560010910034,3.1029999256134,6.0,2.00999999046326,
InChI%3D1S%2FC12H8O4%2Fc1-14-12-10-8%284-5-15-10%296-7-2-3-9%2813%2916-11%287%2912%2Fh2-6H%2C1H3,18.0,0.0399200394749641,26.0,0.0,0.0,10.0,1.0,2.0,11.0,-0.199799999594688,1.0,24.6411991119385,1.43499994277954,6.0,2.33999991416931,
InChI%3D1S%2FC9H6N2O2%2Fc12-11%2813%298-5-1-3-7-4-2-6-10-9%287%298%2Fh1-6H,14.0,0.00217155995778739,19.0,0.0,0.0,11.0,0.0,3.0,13.0,-0.0465999990701675,1.0,2.88579988479614,2.7039999961853,10.0,2.00999999046326,
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InChI%3D1S%2FC8H8%2Fc1-2-8-6-4-3-5-7-8%2Fh2-7H%2C1H2,8.0,0.500556230545044,16.0,0.0,2.0,6.0,0.0,2.0,8.0,0.707499980926514,1.0,10.1471996307373,4.9539999961853,6.0,2.33999991416931,
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%2C1H3,25.0,0.58798223733902,37.0,1.0,0.0,21.0,0.0,0.0,18.0,0.766799986362457,0.0,15.2328996658325,10.3190002441406,18.0,3.76999998092651,
InChI%3D1S%2FC10H10O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh2%2C4-6H%2C1%2C3%2C7H2,13.0,0.527076005935669,22.0,0.0,3.0,6.0,0.0,3.0,8.0,0.726000010967255,2.0,22.3738994598389,2.9300000667572,6.0,2.33999991416931,
InChI%3D1S%2FC12H10ClNO%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C14H2,16.0,0.0255040898919106,25.0,0.0,0.0,12.0,1.0,0.0,14.0,-0.159700006246567,2.0,11.4568004608154,3.75,12.0,2.45000004768372,
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%2C17H,21.0,0.183783695101738,31.0,1.0,0.0,12.0,,2.0,19.0,-0.428700000047684,2.0,25.4925994873047,6.06400012969971,12.0,2.89000010490417,
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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%29,10.0,0.210864633321762,17.0,0.0,0.0,5.0,3.0,4.0,9.0,0.459199994802475,2.0,26.6548004150391,1.99699997901917,5.0,1.46000003814697,
InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H,14.0,0.211876094341278,23.0,1.0,0.0,12.0,1.0,0.0,13.0,-0.460299998521805,1.0,2.56459999084473,5.06300020217896,12.0,2.67000007629395,
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InChI%3D1S%2FC9H12N2O%2Fc1-11%2810-12%298-7-9-5-3-2-4-6-9%2Fh2-6H%2C7-8H2%2C1H3,12.0,0.0653824880719185,24.0,0.0,2.0,6.0,0.0,6.0,6.0,0.255699992179871,4.0,23.5177993774414,3.41300010681152,6.0,2.11999988555908,
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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%29,28.0,6.56999444961548,57.0,0.0,3.0,6.0,3.0,5.0,7.0,-2.56319999694824,8.0,70.1884002685547,2.18799996376038,6.0,2.77999997138977,
InChI%3D1S%2FC9H13N%2Fc1-6-4-8%283%299%2810%295-7%286%292%2Fh4-5H%2C10H2%2C1-3H3,10.0,1.38321125507355,23.0,0.0,0.0,6.0,1.0,0.0,7.0,1.17610001564026,0.0,20.7283992767334,2.73499989509583,6.0,2.33999991416931,
InChI%3D1S%2FC7H9NO%2Fc1-9-7-5-3-2-4-6%287%298%2Fh2-5H%2C8H2%2C1H3,9.0,0.642722904682159,18.0,0.0,0.0,6.0,1.0,2.0,8.0,-0.801699995994568,1.0,11.5378999710083,1.32200002670288,6.0,2.00999999046326,
InChI%3D1S%2FC7H7FN2O%2Fc1-10%289-11%297-4-2-6%288%293-5-7%2Fh2-5H%2C1H3,11.0,0.219211235642433,18.0,0.0,0.0,6.0,0.0,4.0,9.0,0.468199998140335,2.0,15.226300239563,2.01600003242493,6.0,1.78999996185303,
InChI%3D1S%2FC5H10N2O3%2Fc1-3-7%286-9%295%288%2910-4-2%2Fh3-4H2%2C1-2H3,9.0,1.03815722465515,20.0,0.0,2.0,0.0,0.0,10.0,6.0,1.01890003681183,5.0,34.9309005737305,0.732999980449677,0.0,1.46000003814697,
InChI%3D1S%2FC2H5N3O2%2Fc1-5%284-7%292%283%296%2Fh1H3%2C%28H2%2C3%2C6%29,6.0,0.180880084633827,12.0,0.0,0.0,0.0,2.0,7.0,6.0,0.425300002098083,2.0,22.8313007354736,-0.149000003933907,0.0,1.12999999523163,
InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2,4.0,2.30493116378784,9.0,0.0,3.0,0.0,0.0,5.0,2.0,1.51820003986359,1.0,25.2765998840332,2.09899997711182,0.0,1.57000005245209,
InChI%3D1S%2FC4H10O3%2Fc5-1-3-7-4-2-6%2Fh5-6H%2C1-4H2,6.0,1.05740094184875,17.0,0.0,2.0,0.0,2.0,7.0,0.0,-1.02830004692078,4.0,25.5970993041992,-1.39800000190735,0.0,1.57000005245209,
InChI%3D1S%2FC22H28O3%2Fc1-4-22%2825-14%282%2923%2912-10-20-19-7-5-15-13-16%2824%296-8-17%2815%2918%2819%299-11-21%2820%2C22%293%2Fh1%2C13%2C17-20H%2C5-12H2%2C2-3H3,28.0,1.76757025718689,53.0,0.0,2.0,0.0,0.0,4.0,4.0,1.32949995994568,2.0,93.5656967163086,3.98399996757507,0.0,3.54999995231628,
InChI%3D1S%2FC4H6N2S%2Fc1-6-3-2-5-4%286%297%2Fh2-3H%2C1H3%2C%28H%2C5%2C7%29,7.0,0.392502248287201,13.0,0.0,0.0,5.0,1.0,0.0,0.0,0.626500010490417,0.0,17.2863006591797,0.552999973297119,0.0,1.57000005245209,
InChI%3D1S%2FC2F4%2Fc3-1%284%292%285%296,5.0,1.64249861240387,6.0,0.0,2.0,0.0,0.0,6.0,2.0,1.28159999847412,0.0,12.4054002761841,1.182000041008,0.0,1.24000000953674,
InChI%3D1S%2FC7H10N2O%2Fc1-10-7-3-2-5%288%294-6%287%299%2Fh2-4H%2C8-9H2%2C1H3,10.0,2.40746259689331,20.0,0.0,0.0,6.0,2.0,2.0,9.0,-1.55159997940063,1.0,15.7600002288818,0.291999995708466,6.0,1.89999997615814,
InChI%3D1S%2FC8H11N%2Fc1-9%282%298-6-4-3-5-7-8%2Fh3-7H%2C1-2H3,9.0,0.0474368408322334,20.0,0.0,0.0,6.0,0.0,3.0,7.0,0.217800006270409,1.0,14.2913999557495,2.60599994659424,6.0,2.23000001907349,
InChI%3D1S%2FC6H3Cl3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,10.0,3.14211082458496,13.0,0.0,0.0,6.0,1.0,0.0,7.0,1.77260005474091,0.0,19.4113998413086,2.12100005149841,6.0,1.67999994754791,
InChI%3D1S%2FC10H10O3%2Fc1-2-8%2811%297-3-4-9-10%285-7%2913-6-12-9%2Fh2-5%2C8%2C11H%2C1%2C6H2,14.0,0.011214810423553,23.0,0.0,3.0,6.0,1.0,4.0,8.0,-0.105899997055531,2.0,23.5818004608154,1.53299999237061,6.0,2.23000001907349,
InChI%3D1S%2FC12H12N2S%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,16.0,0.826644659042358,27.0,0.0,0.0,12.0,2.0,0.0,7.0,-0.909200012683868,2.0,16.237699508667,2.95499992370605,12.0,2.45000004768372,
InChI%3D1S%2FC4H7N3O2%2Fc1-2-3-7%286-9%294%285%298%2Fh2H%2C1%2C3H2%2C%28H2%2C5%2C8%29,8.0,1.08597242832184,16.0,0.0,3.0,0.0,2.0,9.0,6.0,1.04209995269775,4.0,31.9939994812012,0.465999990701675,0.0,1.35000002384186,
InChI%3D1S%2FC26H29NO%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%2Fh5-18H%2C4%2C19-20H2%2C1-3H3,30.0,0.221276164054871,57.0,1.0,4.0,18.0,0.0,6.0,21.0,0.470400005578995,8.0,43.5638008117676,10.7559995651245,18.0,4.09999990463257,
InChI%3D1S%2FC4H7F3N2O%2Fc1-2-9%288-10%293-4%285%2C6%297%2Fh2-3H2%2C1H3,9.0,1.81872200965881,17.0,0.0,2.0,0.0,0.0,10.0,3.0,1.34860002994537,4.0,29.7943992614746,1.57299995422363,0.0,1.24000000953674,
InChI%3D1S%2FC9H10O2%2Fc1-2-4-8%285-3-1%2910-6-9-7-11-9%2Fh1-5%2C9H%2C6-7H2,12.0,0.11249315738678,21.0,0.0,0.0,6.0,0.0,2.0,7.0,-0.335399985313416,3.0,16.0604991912842,2.20000004768372,6.0,2.23000001907349,
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%2C1-3H3,19.0,0.739256024360657,35.0,1.0,0.0,12.0,0.0,2.0,15.0,0.859799981117249,3.0,19.7935009002686,5.81099987030029,12.0,2.77999997138977,
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%2C1H3,18.0,0.913553655147552,27.0,0.0,0.0,15.0,1.0,2.0,15.0,-0.955799996852875,1.0,13.1569995880127,2.58899998664856,12.0,2.55999994277954,
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%2C3-6H2,20.0,1.62945222854614,31.0,0.0,2.0,5.0,1.0,3.0,14.0,-1.27649998664856,5.0,43.4118995666504,0.437000006437302,5.0,1.57000005245209,
InChI%3D1S%2FC5H10N2O3%2Fc8-4-3-6-2-1-5%289%297-10%2Fh6%2C8H%2C1-4H2,9.0,2.15854859352112,20.0,0.0,3.0,0.0,,10.0,4.0,-1.46920001506805,6.0,33.4347991943359,-1.74500000476837,0.0,1.46000003814697,
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%29,18.0,1.64070475101471,23.0,0.0,0.0,5.0,1.0,2.0,16.0,-1.28090000152588,3.0,32.3368988037109,0.880999982357025,5.0,1.35000002384186,
InChI%3D1S%2FC10H10N4O3S%2Fc1-6%282%2912-13-10-11-7%285-18-10%298-3-4-9%2817-8%2914%2815%2916%2Fh3-5H%2C1-2H3%2C%28H%2C11%2C13%29,19.0,0.0135256899520755,28.0,0.0,3.0,10.0,,5.0,16.0,-0.116300001740456,4.0,33.0503005981445,3.02099990844727,10.0,1.67999994754791,
InChI%3D1S%2FC2H6N2O%2Fc1-4%282%293-5%2Fh1-2H3,4.0,0.0082446401938796,11.0,0.0,0.0,0.0,0.0,5.0,3.0,0.0908000022172928,1.0,20.050500869751,-0.275000005960464,0.0,1.35000002384186,
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%29,27.0,2.26924085617065,47.0,0.0,0.0,6.0,1.0,3.0,12.0,-1.50639998912811,5.0,65.9250030517578,2.60500001907349,6.0,2.67000007629395,
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%2C1-3H3,27.0,0.3070268034935,54.0,0.0,2.0,0.0,0.0,4.0,3.0,0.554099977016449,2.0,91.5783004760742,3.77500009536743,0.0,3.44000005722046,
InChI%3D1S%2FCCl4%2Fc2-1%283%2C4%295,4.0,12.8493576049805,5.0,0.0,0.0,0.0,0.0,5.0,0.0,3.58459997177124,0.0,26.8490009307861,2.86400008201599,0.0,1.12999999523163,
InChI%3D1S%2FC12H14N2O%2Fc1-9-8-12%282%2C3%2914%2813-15%2911-7-5-4-6-10%289%2911%2Fh4-8H%2C1-3H3,16.0,1.9446302652359,29.0,0.0,0.0,6.0,,2.0,11.0,1.39450001716614,1.0,37.0256996154785,3.44000005722046,6.0,2.45000004768372,
InChI%3D1S%2FC3H7NO2%2Fc1-2-6-3%284%295%2Fh2H2%2C1H3%2C%28H2%2C4%2C5%29,5.0,0.675519585609436,13.0,0.0,2.0,0.0,2.0,6.0,4.0,0.821900010108948,2.0,19.8181991577148,0.920000016689301,0.0,1.46000003814697,
InChI%3D1S%2FC7H8N2O%2Fc1-9%288-10%297-5-3-2-4-6-7%2Fh2-6H%2C1H3,10.0,0.000132250002934597,18.0,0.0,0.0,6.0,0.0,4.0,9.0,-0.0115000000223517,2.0,14.3537998199463,2.26799988746643,6.0,1.89999997615814,
InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C8H%2C1H3,9.0,0.262246400117874,17.0,0.0,0.0,6.0,1.0,2.0,8.0,-0.512099981307983,1.0,9.88039970397949,1.38900005817413,6.0,2.00999999046326,
InChI%3D1S%2FC10H9N3O3%2Fc1-6-5-7%282%2912-10%2811-6%298-3-4-9%2816-8%2913%2814%2915%2Fh3-5H%2C1-2H3,17.0,0.46009087562561,25.0,0.0,0.0,11.0,0.0,2.0,14.0,0.678300023078918,2.0,15.9699001312256,2.51799988746643,11.0,1.89999997615814,
InChI%3D1S%2FC5H7N3O2%2Fc1-4-6-3-5%287%284%292%298%289%2910%2Fh3H%2C1-2H3,10.0,0.0144480401650071,17.0,0.0,0.0,5.0,1.0,2.0,8.0,0.120200000703335,1.0,17.3791999816895,0.726000010967255,5.0,1.46000003814697,
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%29,22.0,0.22155849635601,32.0,0.0,0.0,16.0,2.0,2.0,9.0,-0.470699995756149,3.0,22.1777000427246,0.686999976634979,12.0,2.33999991416931,
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%2C1H3,20.0,0.403860241174698,29.0,0.0,0.0,12.0,1.0,0.0,17.0,-0.635500013828278,0.0,20.4162006378174,2.73399996757507,12.0,2.77999997138977,
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%2C1-2H3,19.0,0.523596942424774,35.0,0.0,0.0,6.0,0.0,2.0,9.0,-0.723599970340729,3.0,44.1161994934082,3.05200004577637,6.0,2.33999991416931,
InChI%3D1S%2FC6H4Cl2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H,8.0,2.21592998504639,12.0,0.0,0.0,6.0,0.0,0.0,6.0,1.48860001564026,0.0,11.2312002182007,2.98799991607666,6.0,1.89999997615814,
InChI%3D1S%2FC2H5Br%2Fc1-2-3%2Fh2H2%2C1H3,2.0,1.54132223129272,8.0,0.0,2.0,0.0,0.0,3.0,0.0,1.24150002002716,0.0,18.589599609375,1.73599994182587,0.0,1.57000005245209,
InChI%3D1S%2FC21H27N5O2S%2Fc1-14-4-5-15%2811-24-14%2910-16-12-25-20%2826-19%2816%2927%2923-8-9-29-13-17-6-7-18%2828-17%2921%282%2C3%2922%2Fh4-7%2C11-12H%2C8-10%2C13%2C22H2%2C1-3H3%2C%28H2%2C23%2C25%2C26%2C27%29,31.0,0.0576480105519295,60.0,0.0,2.0,11.0,,5.0,6.0,-0.240099996328354,8.0,76.2964019775391,3.33100008964539,11.0,2.89000010490417,
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%29,17.0,0.222689613699913,24.0,0.0,0.0,11.0,3.0,2.0,16.0,-0.47189998626709,3.0,19.2633991241455,2.20499992370605,11.0,1.67999994754791,
InChI%3D1S%2FC4H6%2Fc1-3-4-2%2Fh3-4H%2C1-2H2,3.0,2.00222492218018,10.0,0.0,4.0,0.0,0.0,4.0,4.0,1.41499996185303,1.0,20.2943992614746,1.9559999704361,0.0,1.89999997615814,
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%2C1-5H3,48.0,12.2990493774414,103.0,2.0,7.0,6.0,0.0,8.0,7.0,3.50699996948242,14.0,156.428894042969,14.4919996261597,6.0,5.19999980926514,
InChI%3D1S%2FC8H14O2%2Fc1-4-5-10-8%289%296-7%282%293%2Fh4%2C7H%2C1%2C5-6H2%2C2-3H3,9.0,1.52695453166962,24.0,0.0,4.0,0.0,0.0,10.0,3.0,1.23570001125336,5.0,39.9681015014648,2.18600010871887,0.0,2.11999988555908,
InChI%3D1S%2FC8H8O%2Fc1-2-4-7%285-3-1%298-6-9-8%2Fh1-5%2C8H%2C6H2,10.0,0.0372104085981846,17.0,0.0,0.0,6.0,0.0,0.0,6.0,-0.192900002002716,1.0,9.72920036315918,2.75500011444092,6.0,2.23000001907349,
InChI%3D1S%2FC6H6N2O2%2Fc9-7-5-1-2-6%288-10%294-3-5%2Fh1-4%2C7%2C9H,10.0,0.817215979099274,16.0,0.0,0.0,6.0,,2.0,10.0,-0.903999984264374,2.0,7.30749988555908,1.63699996471405,6.0,1.67999994754791,
InChI%3D1S%2FC6H13N3O2%2Fc1-2-3-4-5-9%288-11%296%287%2910%2Fh2-5H2%2C1H3%2C%28H2%2C7%2C10%29,10.0,0.228579610586166,24.0,0.0,5.0,0.0,2.0,11.0,6.0,-0.478100001811981,6.0,36.4803009033203,1.76999998092651,0.0,1.57000005245209,
InChI%3D1S%2FC2Cl6%2Fc3-1%284%2C5%292%286%2C7%298,7.0,11.4000768661499,8.0,0.0,2.0,0.0,0.0,8.0,0.0,3.37639999389648,1.0,41.8779983520508,3.88199996948242,0.0,1.01999998092651,
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%29,21.0,0.328902244567871,32.0,0.0,2.0,6.0,1.0,2.0,11.0,-0.573499977588654,2.0,41.2597007751465,0.569999992847443,6.0,2.23000001907349,
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%29,15.0,0.664388000965118,17.0,0.0,0.0,10.0,1.0,2.0,14.0,-0.815100014209747,2.0,8.68859958648682,0.672999978065491,10.0,1.24000000953674,
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%2C1-3H3,16.0,0.650442242622375,35.0,0.0,2.0,6.0,4.0,8.0,8.0,-0.806500017642975,4.0,38.6044006347656,0.800999999046326,6.0,2.33999991416931,
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%2C1H3,20.0,0.395640999078751,31.0,0.0,2.0,12.0,1.0,5.0,16.0,-0.629000008106232,2.0,20.0314998626709,4.67600011825562,12.0,2.77999997138977,
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InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H,6.0,0.0,11.0,0.0,0.0,6.0,0.0,0.0,6.0,0.0,0.0,0.0,1.39999997615814,6.0,1.89999997615814,
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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%29,11.0,0.00484415981918573,21.0,0.0,3.0,6.0,1.0,3.0,7.0,0.0696000009775162,2.0,24.5182991027832,1.85300004482269,6.0,1.78999996185303,
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%29,16.0,1.71479022502899,35.0,0.0,0.0,6.0,3.0,6.0,9.0,-1.30949997901917,6.0,39.6456985473633,2.76900005340576,6.0,2.33999991416931,
InChI%3D1S%2FC8H18N2O%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh3-8H2%2C1-2H3,10.0,1.29960000514984,29.0,0.0,4.0,0.0,0.0,11.0,3.0,-1.13999998569489,7.0,41.5252990722656,2.42499995231628,0.0,2.00999999046326,
InChI%3D1S%2FC4H6O2%2Fc1-3-2-4%285%296-3%2Fh3H%2C2H2%2C1H3,6.0,0.00306916004046798,12.0,0.0,0.0,0.0,0.0,0.0,3.0,-0.0553999990224838,0.0,20.1375007629395,0.321000009775162,0.0,1.67999994754791,
InChI%3D1S%2FC39H41N3O6S2%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%2Fh7-26H%2C5-6%2C27-28H2%2C1-4H3%2C%28H-%2C43%2C44%2C45%2C46%2C47%2C48%29%2Fp%2B1,54.0,2.82777857780457,92.0,2.0,2.0,24.0,,4.0,22.0,-1.68159997463226,12.0,100.141700744629,7.35099983215332,24.0,4.53999996185303,
InChI%3D1S%2FC7H8%2Fc1-7-5-3-2-4-6-7%2Fh2-6H%2C1H3,7.0,0.412164002656937,15.0,0.0,0.0,6.0,0.0,0.0,6.0,0.642000019550323,0.0,5.50209999084473,4.38500022888184,6.0,2.23000001907349,
InChI%3D1S%2FC4H8N2O2%2Fc7-5-6-3-1-2-4-8-6%2Fh1-4H2,8.0,0.673548519611359,16.0,0.0,0.0,0.0,0.0,2.0,4.0,-0.820699989795685,1.0,25.5237998962402,0.564999997615814,0.0,1.46000003814697,
InChI%3D1S%2FC9H8O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-4H%2C5-6H2,12.0,3.72100003005471e-05,19.0,0.0,0.0,6.0,0.0,0.0,9.0,0.00609999988228083,0.0,15.7062997817993,2.45099997520447,6.0,2.23000001907349,
InChI%3D1S%2FC34H27N9O7S2%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%2Fh1-18%2C39H%2C35-37H2%2C%28H%2C45%2C46%2C47%29%28H%2C48%2C49%2C50%29,57.0,16.822301864624,79.0,3.0,0.0,30.0,6.0,3.0,52.0,-4.10150003433228,9.0,59.4005012512207,7.25899982452393,30.0,3.22000002861023,
InChI%3D1S%2FC5H8%2Fc1-4-5%282%293%2Fh4H%2C1-2H2%2C3H3,4.0,3.46480989456177,13.0,0.0,4.0,0.0,0.0,5.0,4.0,1.8614000082016,1.0,24.5764007568359,2.34800004959106,0.0,2.00999999046326,
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%29,21.0,0.0278222393244505,34.0,0.0,2.0,10.0,8.0,5.0,9.0,0.166800007224083,8.0,56.238899230957,0.998000025749207,10.0,1.24000000953674,
InChI%3D1S%2FC37H36N2O6S2%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%2Fh5-25H%2C3-4%2C26-27H2%2C1-2H3%2C%28H-%2C40%2C41%2C42%2C43%2C44%2C45%29%2Fp%2B1,51.0,2.80629515647888,84.0,2.0,2.0,24.0,,4.0,21.0,-1.67519998550415,11.0,86.0371017456055,8.47500038146973,24.0,4.42999982833862,
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%2C4-5H2,24.0,0.0695904418826103,34.0,0.0,3.0,16.0,5.0,4.0,6.0,0.263799995183945,5.0,21.8330001831055,0.767000019550323,6.0,1.89999997615814,
InChI%3D1S%2FC3H8N2O2%2Fc1-5%284-7%292-3-6%2Fh6H%2C2-3H2%2C1H3,6.0,0.201241955161095,15.0,0.0,2.0,0.0,1.0,7.0,3.0,-0.448599994182587,3.0,26.3428001403809,-0.984000027179718,0.0,1.35000002384186,
InChI%3D1S%2FC6H12N3PS%2Fc11-10%287-1-2-7%2C8-3-4-8%299-5-6-9%2Fh1-6H2,13.0,0.579273223876953,23.0,0.0,0.0,0.0,0.0,2.0,5.0,-0.761099994182587,3.0,50.7221984863281,0.759999990463257,0.0,1.57000005245209,
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%2C17H2,21.0,0.250100016593933,26.0,0.0,0.0,12.0,1.0,0.0,17.0,0.500100016593933,0.0,32.1123008728027,3.49000000953674,12.0,2.45000004768372,
InChI%3D1S%2FC3H7NO%2Fc1-3%282%294-5%2Fh5H%2C1-2H3,4.0,0.0408444106578827,12.0,0.0,0.0,0.0,1.0,5.0,3.0,-0.202099993824959,0.0,19.729700088501,0.428000003099442,0.0,1.57000005245209,
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%2918,26.0,34.2224998474121,22.0,1.0,0.0,0.0,0.0,0.0,0.0,5.84999990463257,0.0,92.3588027954102,6.35799980163574,0.0,1.24000000953674,
InChI%3D1S%2FC7H15N3O2%2Fc1-2-3-4-5-6-10%289-12%297%288%2911%2Fh2-6H2%2C1H3%2C%28H2%2C8%2C11%29,11.0,0.586909234523773,27.0,0.0,6.0,0.0,2.0,12.0,6.0,-0.766099989414215,7.0,39.3918991088867,2.33899998664856,0.0,1.67999994754791,
InChI%3D1S%2FC2H3Cl2F%2Fc1-2%283%2C4%295%2Fh1H3,4.0,3.35842275619507,8.0,0.0,2.0,0.0,0.0,5.0,0.0,1.83259999752045,0.0,21.3824996948242,2.33200001716614,0.0,1.35000002384186,
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%2C3-4H2,17.0,10.4619903564453,24.0,0.0,0.0,0.0,0.0,5.0,5.0,3.23449993133545,2.0,68.1818008422852,2.26799988746643,0.0,1.67999994754791,
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%2C1-2H3,22.0,0.0796932876110077,35.0,1.0,2.0,12.0,0.0,7.0,17.0,-0.282299995422363,3.0,27.832799911499,5.60099983215332,12.0,3.0,
InChI%3D1S%2FC3H4O2%2Fc4-2-1-3-5%2Fh1-4H,4.0,0.219585955142975,9.0,0.0,3.0,0.0,1.0,5.0,5.0,-0.468600004911423,1.0,18.0569000244141,-0.0439999997615814,0.0,1.57000005245209,
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,20.0,2.09728312492371,26.0,0.0,0.0,12.0,2.0,0.0,18.0,-1.4481999874115,0.0,15.8212003707886,1.30400002002716,12.0,2.55999994277954,
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%2C1-2H3,28.0,0.766325175762177,51.0,0.0,2.0,0.0,2.0,2.0,5.0,-0.875400006771088,1.0,86.7670974731445,-1.13999998569489,0.0,2.55999994277954,
InChI%3D1S%2FC4H10O%2Fc1-4%282%2C3%295%2Fh5H%2C1-3H3,4.0,0.328672885894775,15.0,0.0,3.0,0.0,1.0,5.0,0.0,0.573300004005432,0.0,22.0650997161865,0.800999999046326,0.0,1.78999996185303,
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%2C1-4H3,20.0,0.795307219028473,41.0,0.0,0.0,12.0,0.0,3.0,7.0,0.891799986362457,4.0,33.1837997436523,4.94899988174438,12.0,3.10999989509583,
InChI%3D1S%2FC5H8N2O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-2H%2C3-5H2,8.0,0.00795663986355066,16.0,0.0,0.0,0.0,0.0,2.0,3.0,0.089199997484684,1.0,31.3117008209229,0.501999974250793,0.0,1.67999994754791,
InChI%3D1S%2FC12H12N2O3%2Fc1-2-12%288-6-4-3-5-7-8%299%2815%2913-11%2817%2914-10%2812%2916%2Fh3-7H%2C2H2%2C1H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29,18.0,1.26247692108154,29.0,0.0,2.0,6.0,2.0,2.0,8.0,-1.12360000610352,2.0,34.4664001464844,3.76099991798401,6.0,2.23000001907349,
InChI%3D1S%2FC18H14N4O7S%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%2Fh1-11%2C19-20H%2C%28H%2C27%2C28%2C29%29,32.0,2.17710018157959,44.0,1.0,0.0,18.0,,3.0,30.0,-1.47549998760223,7.0,23.2910003662109,6.52899980545044,18.0,2.11999988555908,
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%29,21.0,0.273424416780472,40.0,0.0,5.0,0.0,5.0,9.0,7.0,-0.522899985313416,9.0,64.0654983520508,1.34500002861023,0.0,1.57000005245209,
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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%2C1-6H3,49.0,0.196958437561989,83.0,0.0,0.0,16.0,1.0,4.0,12.0,-0.443800002336502,10.0,99.9578018188477,2.89499998092651,12.0,3.88000011444092,
InChI%3D1S%2FC18H22ClNO%2Fc1-16%2815-21-18-10-6-3-7-11-18%2920%2813-12-19%2914-17-8-4-2-5-9-17%2Fh2-11%2C16H%2C12-15H2%2C1H3,22.0,0.423410475254059,43.0,1.0,3.0,12.0,0.0,9.0,7.0,0.650699973106384,8.0,38.2780990600586,6.54899978637695,12.0,3.10999989509583,
InChI%3D1S%2FC3H8N2O%2Fc1-3-5%282%294-6%2Fh3H2%2C1-2H3,5.0,0.116417437791824,14.0,0.0,0.0,0.0,0.0,6.0,3.0,0.341199994087219,2.0,24.3442993164062,0.148000001907349,0.0,1.46000003814697,
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%2C1-3H3,32.0,19.0287895202637,83.0,2.0,8.0,0.0,0.0,33.0,3.0,-4.3621997833252,26.0,106.715103149414,9.63399982452393,0.0,3.76999998092651,
InChI%3D1S%2FC5H10N4O2%2Fc10-6-8-2-1-3-9%287-11%295-4-8%2Fh1-5H2,11.0,0.220148637890816,21.0,0.0,0.0,0.0,0.0,2.0,3.0,-0.469199985265732,2.0,39.0746002197266,-0.153999999165535,0.0,1.35000002384186,
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%2C17H2,20.0,0.130754560232162,34.0,1.0,3.0,12.0,1.0,6.0,10.0,-0.361600011587143,5.0,25.5445995330811,6.27099990844727,12.0,2.89000010490417,
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,20.0,9.87530612945557,28.0,1.0,2.0,12.0,0.0,5.0,6.0,3.14249992370605,3.0,35.7430992126465,7.01999998092651,12.0,2.45000004768372,
InChI%3D1S%2FC4H10N2O3%2Fc7-3-1-6%285-9%292-4-8%2Fh7-8H%2C1-4H2,8.0,0.976144015789032,19.0,0.0,2.0,0.0,2.0,9.0,3.0,-0.987999975681305,5.0,32.6351013183594,-1.692999958992,0.0,1.35000002384186,
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%29,13.0,0.103169441223145,24.0,0.0,0.0,6.0,1.0,6.0,10.0,0.321200013160706,3.0,26.9515991210938,1.91999995708466,6.0,2.00999999046326,
InChI%3D1S%2FC6H6O2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4%2C7-8H,8.0,0.847504377365112,14.0,0.0,0.0,6.0,2.0,0.0,8.0,-0.92059999704361,0.0,5.12919998168945,0.870000004768372,6.0,1.89999997615814,
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%29,24.0,0.32330596446991,39.0,0.0,2.0,12.0,2.0,4.0,21.0,-0.568599998950958,4.0,36.4431991577148,2.95900011062622,12.0,2.45000004768372,
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%29,18.0,0.167281001806259,27.0,0.0,0.0,5.0,1.0,2.0,14.0,-0.409000009298325,3.0,36.9487991333008,2.05599999427795,5.0,1.57000005245209,
InChI%3D1S%2FC12H8Cl2%2Fc13-11-5-1-3-9%287-11%2910-4-2-6-12%2814%298-10%2Fh1-8H,15.0,2.21592998504639,22.0,1.0,0.0,12.0,,0.0,12.0,1.48860001564026,1.0,11.2312002182007,5.37400007247925,12.0,2.55999994277954,
InChI%3D1S%2FC5H4O2%2Fc6-4-5-2-1-3-7-5%2Fh1-4H,7.0,0.120062246918678,11.0,0.0,0.0,5.0,0.0,2.0,7.0,-0.346500009298325,1.0,7.91300010681152,1.057000041008,5.0,1.78999996185303,
InChI%3D1S%2FC4H4N2O2%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29,8.0,0.847504377365112,12.0,0.0,0.0,6.0,2.0,0.0,8.0,-0.92059999704361,0.0,5.12919998168945,-0.462000012397766,6.0,1.46000003814697,
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%2C20H%2C%28H%2C19%2C22%29%28H%2C24%2C25%29,30.0,2.39073443412781,42.0,0.0,0.0,12.0,3.0,4.0,28.0,-1.54620003700256,6.0,52.8017997741699,3.03299999237061,12.0,2.33999991416931,
InChI%3D1S%2FC8H11N%2Fc1-6-3-4-7%282%298%289%295-6%2Fh3-5H%2C9H2%2C1-2H3,9.0,0.285262823104858,20.0,0.0,0.0,6.0,1.0,0.0,7.0,0.534099996089935,0.0,15.226300239563,2.41199994087219,6.0,2.23000001907349,
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%2C1-2H3,48.0,0.754987180233002,89.0,2.0,4.0,6.0,2.0,9.0,7.0,0.868900001049042,13.0,146.226898193359,5.7039999961853,6.0,4.32000017166138,
InChI%3D1S%2FC9H13N%2Fc1-6-4-7%282%299%2810%298%283%295-6%2Fh4-5H%2C10H2%2C1-3H3,10.0,1.38321125507355,23.0,0.0,0.0,6.0,1.0,0.0,7.0,1.17610001564026,0.0,20.7283992767334,2.5239999294281,6.0,2.33999991416931,
InChI%3D1S%2FC12H12N2O2S%2Fc13-9-1-5-11%286-2-9%2917%2815%2C16%2912-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,18.0,3.70562505722046,29.0,0.0,0.0,12.0,2.0,2.0,17.0,-1.92499995231628,2.0,17.0858001708984,1.23300004005432,12.0,2.23000001907349,
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%29,18.0,0.0284596905112267,31.0,0.0,2.0,6.0,1.0,2.0,9.0,0.168699994683266,2.0,39.5200996398926,1.13199996948242,6.0,2.23000001907349,
InChI%3D1S%2FC6H6O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C7-8H,8.0,0.847504377365112,14.0,0.0,0.0,6.0,2.0,0.0,8.0,-0.92059999704361,0.0,5.12919998168945,1.29900002479553,6.0,1.89999997615814,
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%29,24.0,0.778100430965424,36.0,0.0,2.0,11.0,3.0,4.0,10.0,-0.882099986076355,4.0,37.657600402832,2.60400009155273,11.0,2.11999988555908,
InChI%3D1S%2FC3H3N3O2S%2Fc4-3-5-1-2%289-3%296%287%298%2Fh1H%2C%28H2%2C4%2C5%29,9.0,0.0304502490907907,14.0,0.0,0.0,0.0,2.0,2.0,3.0,0.174500003457069,1.0,27.300199508667,0.790000021457672,0.0,1.12999999523163,
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%2C5-6H2,25.0,5.80424451828003,36.0,0.0,0.0,12.0,5.0,0.0,9.0,-2.40919995307922,0.0,29.9361991882324,0.503000020980835,12.0,2.55999994277954,
InChI%3D1S%2FC7H4N2O3S%2Fc10-9%2811%297-2-1-6%2812-7%295-3-13-4-8-5%2Fh1-4H,14.0,0.152022004127502,17.0,0.0,0.0,10.0,1.0,3.0,13.0,0.389899998903275,2.0,12.2983999252319,1.74300003051758,10.0,1.57000005245209,
InChI%3D1S%2FC13H13N3%2Fc1-7-12-11%288%282%2915-13%287%2914%299-5-3-4-6-10%289%2916-12%2Fh3-6%2C16H%2C1-2H3%2C%28H2%2C14%2C15%29,18.0,0.0327248089015484,30.0,0.0,0.0,10.0,3.0,0.0,7.0,-0.180899992585182,0.0,27.3493003845215,2.8659999370575,6.0,2.55999994277954,
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%2C6H2,14.0,0.530857980251312,24.0,0.0,0.0,6.0,0.0,2.0,6.0,-0.728600025177002,2.0,22.5904006958008,1.37600004673004,6.0,2.00999999046326,
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29,11.0,0.28302401304245,20.0,0.0,0.0,6.0,2.0,4.0,10.0,-0.532000005245209,1.0,16.4654006958008,1.66600000858307,6.0,2.00999999046326,
InChI%3D1S%2FC10H12O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh4-6H%2C2-3%2C7H2%2C1H3,13.0,0.227529004216194,24.0,0.0,3.0,6.0,0.0,3.0,8.0,-0.476999998092651,2.0,21.1478004455566,3.2960000038147,6.0,2.33999991416931,
InChI%3D1S%2FC4H10N2O%2Fc1-3-6%284-2%295-7%2Fh3-4H2%2C1-2H3,6.0,0.349990546703339,17.0,0.0,2.0,0.0,0.0,7.0,3.0,0.591600000858307,3.0,28.6380996704102,0.570999979972839,0.0,1.57000005245209,
InChI%3D1S%2FC14H14N2%2Fc1-2-16-13-6-4-3-5-11%2813%2912-9-10%2815%297-8-14%2812%2916%2Fh3-9H%2C2%2C15H2%2C1H3,18.0,0.147456005215645,30.0,0.0,2.0,15.0,1.0,2.0,14.0,-0.38400000333786,1.0,17.1105995178223,3.49900007247925,12.0,2.77999997138977,
InChI%3D1S%2FC4H4N2OS%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29,8.0,0.00257048988714814,12.0,0.0,0.0,6.0,1.0,0.0,7.0,0.0507000014185905,0.0,11.256199836731,0.428999990224838,6.0,1.46000003814697,
InChI%3D1S%2FC11H12N2O%2Fc1-9-8-11%2814%2913%2812%289%292%2910-6-4-3-5-7-10%2Fh3-8H%2C1-2H3,15.0,0.233868956565857,28.0,0.0,0.0,6.0,0.0,0.0,10.0,-0.483599990606308,1.0,29.8819999694824,2.00799989700317,6.0,2.33999991416931,
InChI%3D1S%2FC6H18N3OP%2Fc1-7%282%2911%2810%2C8%283%294%299%285%296%2Fh1-6H3,10.0,1.2454559803009,29.0,0.0,0.0,0.0,0.0,11.0,5.0,-1.11600005626678,3.0,48.6383018493652,-0.560999989509583,0.0,1.57000005245209,
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%2C1H3,27.0,0.0552720092236996,48.0,0.0,2.0,0.0,2.0,2.0,5.0,0.235100001096725,1.0,88.9273986816406,0.137999996542931,0.0,2.67000007629395,
InChI%3D1S%2FC2H3N3O%2Fc1-5%282-3%294-6%2Fh1H3,5.0,0.015227559953928,9.0,0.0,0.0,0.0,0.0,6.0,5.0,0.123400002717972,1.0,21.0093994140625,-0.479000002145767,0.0,1.24000000953674,
InChI%3D1S%2FC10H10N2%2Fc11-9-5-1-3-7-8%289%294-2-6-10%287%2912%2Fh1-6H%2C11-12H2,13.0,2.24940013885498,22.0,0.0,0.0,11.0,2.0,0.0,12.0,-1.49979996681213,0.0,8.44419956207275,1.76800000667572,10.0,2.33999991416931,
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%29,13.0,0.860070765018463,33.0,0.0,4.0,0.0,1.0,14.0,6.0,-0.92739999294281,8.0,49.8160018920898,2.3529999256134,0.0,1.89999997615814,
InChI%3D1S%2FC9H16N2O2S2%2Fc14-9%2810-1-5-12-6-2-10%2915-11-3-7-13-8-4-11%2Fh1-8H2,16.0,1.37147521972656,31.0,0.0,0.0,0.0,0.0,3.0,3.0,1.17110002040863,3.0,67.0607986450195,0.188999995589256,0.0,1.78999996185303,
InChI%3D1S%2FCH4N2S%2Fc2-1%283%294%2Fh%28H4%2C2%2C3%2C4%29,3.0,0.305587828159332,8.0,0.0,0.0,0.0,2.0,4.0,3.0,0.552799999713898,0.0,17.391300201416,0.0670000016689301,0.0,1.24000000953674,
InChI%3D1S%2FC5H6O2%2Fc6-4-5-2-1-3-7-5%2Fh1-3%2C6H%2C4H2,7.0,0.363367825746536,13.0,0.0,0.0,5.0,1.0,2.0,5.0,-0.602800011634827,1.0,8.89589977264404,0.382999986410141,5.0,1.78999996185303,
InChI%3D1S%2FC8H15N3O7%2Fc1-11%2810-18%298%2817%299-4%282-12%296%2815%297%2816%295%2814%293-13%2Fh2%2C4-7%2C13-16H%2C3H2%2C1H3%2C%28H%2C9%2C17%29,17.0,3.62902498245239,33.0,0.0,6.0,0.0,5.0,18.0,6.0,-1.90499997138977,8.0,57.6123008728027,-3.41100001335144,0.0,1.24000000953674,
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%29,21.0,0.695222437381744,35.0,0.0,2.0,5.0,2.0,5.0,10.0,-0.83380001783371,5.0,49.9392013549805,2.2260000705719,5.0,1.67999994754791,
InChI%3D1S%2FC5H3Cl5%2Fc1-2%284%287%298%293%286%295%289%2910%2Fh1H3,9.0,13.7767171859741,13.0,0.0,4.0,0.0,,10.0,4.0,3.71169996261597,1.0,50.2621994018555,4.05600023269653,0.0,1.46000003814697,
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%29,12.0,1.72029459476471,22.0,0.0,2.0,0.0,3.0,13.0,3.0,-1.31159996986389,6.0,38.2419013977051,-1.79100000858307,0.0,1.35000002384186,
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%2C1-4H3,21.0,2.97804045677185,44.0,0.0,3.0,6.0,0.0,11.0,7.0,1.7257000207901,9.0,61.6603012084961,3.91400003433228,6.0,2.45000004768372,
InChI%3D1S%2FC7H7NO2%2Fc1-6-2-4-7%285-3-6%298%289%2910%2Fh2-5H%2C1H3,10.0,0.354501157999039,17.0,0.0,0.0,6.0,0.0,2.0,9.0,0.595399975776672,1.0,8.38790035247803,3.21700000762939,6.0,1.89999997615814,
InChI%3D1S%2FC8H11N3%2Fc1-11%282%2910-9-8-6-4-3-5-7-8%2Fh3-7H%2C1-2H3,11.0,0.0130188101902604,22.0,0.0,0.0,6.0,0.0,5.0,9.0,0.114100001752377,2.0,18.6075992584229,2.15000009536743,6.0,2.00999999046326,
InChI%3D1S%2FC11H11N3O3%2Fc12-10%2815%296-9-11%2816%2917-13-14%289%297-8-4-2-1-3-5-8%2Fh1-5H%2C6-7H2%2C%28H2-%2C12%2C13%2C15%2C16%29%2Fp%2B1,18.0,0.673876821994781,33.0,0.0,2.0,6.0,4.0,4.0,6.0,-0.820900022983551,4.0,33.0758018493652,1.87100005149841,6.0,2.00999999046326,
InChI%3D1S%2FC34H28N6O16S4%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%2Fh3-14%2C37-38H%2C35-36H2%2C1-2H3%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29%28H%2C49%2C50%2C51%29%28H%2C52%2C53%2C54%29,65.0,28.164249420166,88.0,3.0,0.0,24.0,,3.0,58.0,-5.30700016021729,11.0,116.54419708252,0.195999994874001,24.0,2.33999991416931,
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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,25.0,28.6899490356445,22.0,1.0,0.0,0.0,0.0,0.0,0.0,5.35629987716675,0.0,88.0130996704102,5.97900009155273,0.0,1.35000002384186,
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%29,17.0,0.42968025803566,31.0,0.0,3.0,6.0,4.0,11.0,6.0,0.655499994754791,7.0,31.8826007843018,4.34600019454956,6.0,2.00999999046326,
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InChI%3D1S%2FC6H5NO2%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H,9.0,0.00217155995778739,14.0,0.0,0.0,6.0,0.0,3.0,9.0,-0.0465999990701675,1.0,2.88579988479614,2.89400005340576,6.0,1.78999996185303,
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%29,12.0,0.175142243504524,25.0,0.0,3.0,0.0,2.0,13.0,6.0,0.418500006198883,6.0,48.5611991882324,0.168999999761581,0.0,1.35000002384186,
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%29,19.0,0.0269616395235062,26.0,0.0,3.0,10.0,2.0,5.0,18.0,-0.164199993014336,4.0,23.6989002227783,2.62199997901917,10.0,1.89999997615814,
InChI%3D1S%2FC5H10Br2O2%2Fc6-1-5%282-7%2C3-8%294-9%2Fh8-9H%2C1-4H2,8.0,0.284728974103928,19.0,0.0,3.0,0.0,2.0,9.0,0.0,0.533599972724915,4.0,43.7966995239258,1.20200002193451,0.0,1.57000005245209,
InChI%3D1S%2FC3H6N2S%2Fc6-3-4-1-2-5-3%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29,6.0,0.123763240873814,12.0,0.0,0.0,0.0,1.0,0.0,3.0,0.351799994707108,0.0,26.6289005279541,0.122000001370907,0.0,1.46000003814697,
InChI%3D1S%2FC6H9NO%2Fc1-2-7-5-3-4-6%287%298%2Fh2H%2C1%2C3-5H2,8.0,0.47596201300621,17.0,0.0,2.0,0.0,0.0,2.0,5.0,-0.689899981021881,1.0,29.0034008026123,0.282999992370605,0.0,1.89999997615814,
InChI%3D1S%2FC3H7N3O2%2Fc1-2-6%285-8%293%284%297%2Fh2H2%2C1H3%2C%28H2%2C4%2C7%29,7.0,0.456570476293564,15.0,0.0,2.0,0.0,2.0,8.0,6.0,0.675700008869171,3.0,27.1250991821289,0.273999989032745,0.0,1.24000000953674,
InChI%3D1S%2FC4H9N3O%2Fc8-6-7-3-1-5-2-4-7%2Fh5H%2C1-4H2,8.0,0.237948834896088,17.0,0.0,0.0,0.0,1.0,2.0,3.0,-0.487800002098083,1.0,30.8059005737305,-0.642000019550323,0.0,1.46000003814697,
InChI%3D1S%2FC8H12F6N2O%2Fc9-7%2810%2C11%293-1-5-16%2815-17%296-2-4-8%2812%2C13%2914%2Fh1-6H2,16.0,0.909352958202362,29.0,0.0,4.0,0.0,0.0,17.0,3.0,0.953599989414215,9.0,42.5970993041992,4.00699996948242,0.0,1.35000002384186,
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%2C1-2H3,21.0,0.0529920384287834,40.0,1.0,6.0,12.0,2.0,6.0,16.0,-0.230199992656708,4.0,33.7085990905762,5.66200017929077,12.0,3.22000002861023,
InChI%3D1S%2FC4H5Cl%2Fc1-3-4%282%295%2Fh3H%2C1-2H2,4.0,3.18158578872681,10.0,0.0,4.0,0.0,0.0,5.0,4.0,1.78369998931885,1.0,25.0105991363525,1.68900001049042,0.0,1.78999996185303,
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%2C1-2H3,18.0,0.285262823104858,32.0,1.0,0.0,12.0,1.0,2.0,15.0,0.534099996089935,2.0,15.226300239563,5.08300018310547,12.0,2.67000007629395,
InChI%3D1S%2FC3H5N3O9%2Fc7-4%288%2913-1-3%2815-6%2811%2912%292-14-5%289%2910%2Fh3H%2C1-2H2,14.0,0.00487203989177942,20.0,0.0,3.0,0.0,0.0,15.0,4.0,-0.0697999969124794,8.0,25.5303001403809,0.976000010967255,0.0,0.469999998807907,
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%2C1-4H3,28.0,3.17837572097778,66.0,2.0,7.0,6.0,0.0,11.0,12.0,-1.78279995918274,16.0,77.5813980102539,9.04199981689453,6.0,3.66000008583069,
InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3,8.0,0.0941876098513603,18.0,0.0,2.0,6.0,0.0,2.0,6.0,0.30689999461174,1.0,10.3505001068115,4.9539999961853,6.0,2.33999991416931,
InChI%3D1S%2FC18H16N2O7S2%2Fc1-10-3-6-15%2811%282%297-10%2919-20-17-14-9-13%2828%2822%2C23%2924%295-4-12%2814%298-16%2818%2817%2921%2929%2825%2C26%2927%2Fh3-9%2C19H%2C1-2H3%2C%28H%2C22%2C23%2C24%29%28H%2C25%2C26%2C27%29,31.0,0.322396844625473,45.0,0.0,0.0,12.0,3.0,3.0,27.0,-0.567799985408783,4.0,57.7383995056152,2.6340000629425,12.0,2.23000001907349,
InChI%3D1S%2FC2H5NO2%2Fc1-5-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29,4.0,0.326612263917923,10.0,0.0,0.0,0.0,2.0,5.0,4.0,0.57150000333786,1.0,15.5243997573853,0.497000008821487,0.0,1.35000002384186,
InChI%3D1S%2FC15H32N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-13-14-15-17%282%2916-18%2Fh3-15H2%2C1-2H3,17.0,11.5913009643555,50.0,2.0,14.0,0.0,0.0,18.0,3.0,-3.40459990501404,14.0,59.9039001464844,6.7649998664856,0.0,2.77999997138977,
InChI%3D1S%2FC8H12N2O3%2Fc1-3-8%284-2%295%2811%299-7%2813%2910-6%288%2912%2Fh3-4H2%2C1-2H3%2C%28H2%2C9%2C10%2C11%2C12%2C13%29,13.0,0.666998863220215,25.0,0.0,2.0,0.0,2.0,2.0,8.0,-0.816699981689453,2.0,44.8168983459473,1.42299997806549,0.0,1.78999996185303,
InChI%3D1S%2FC18H16N2O7S2%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%2Fh3-9%2C19H%2C1-2H3%2C%28H%2C22%2C23%2C24%29%28H%2C25%2C26%2C27%29,31.0,0.454950243234634,45.0,0.0,0.0,12.0,,3.0,27.0,-0.674499988555908,4.0,57.6632995605469,2.30399990081787,12.0,2.23000001907349,
InChI%3D1S%2FC14H15N3%2Fc1-17%282%2914-10-8-13%289-11-14%2916-15-12-6-4-3-5-7-12%2Fh3-11H%2C1-2H3,18.0,0.0474368408322334,32.0,1.0,0.0,12.0,0.0,3.0,15.0,0.217800006270409,3.0,14.2913999557495,5.48799991607666,12.0,2.67000007629395,
InChI%3D1S%2FC3H5N3O%2Fc1-2-6%283-4%295-7%2Fh2H2%2C1H3,6.0,0.13972644507885,12.0,0.0,2.0,0.0,0.0,7.0,5.0,0.373800009489059,2.0,25.3031997680664,-0.0560000017285347,0.0,1.35000002384186,
InChI%3D1S%2FC5H11N3O2%2Fc1-2-3-4-8%287-10%295%286%299%2Fh2-4H2%2C1H3%2C%28H2%2C6%2C9%29,9.0,0.0361380092799664,21.0,0.0,4.0,0.0,2.0,10.0,6.0,-0.190099999308586,5.0,33.5686988830566,1.20099997520447,0.0,1.46000003814697,
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%29,19.0,0.147840246558189,30.0,1.0,2.0,12.0,1.0,4.0,15.0,0.384499996900558,1.0,18.5018005371094,5.80700016021729,12.0,2.89000010490417,
InChI%3D1S%2FC6H11IO3%2Fc1-4%287%296-9-3-5%282-8%2910-6%2Fh4-6%2C8H%2C2-3H2%2C1H3,10.0,0.57380622625351,21.0,0.0,0.0,0.0,1.0,2.0,0.0,0.757499992847443,2.0,45.0453987121582,0.722000002861023,0.0,1.67999994754791,
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%2C6H2,15.0,0.565353631973267,25.0,0.0,0.0,6.0,0.0,2.0,7.0,-0.751900017261505,2.0,24.0333003997803,0.513999998569489,6.0,1.89999997615814,
InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29,6.0,0.00263168988749385,11.0,0.0,0.0,5.0,2.0,0.0,0.0,0.0513000003993511,0.0,5.89870023727417,0.535000026226044,0.0,1.67999994754791,
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%29,12.0,0.432963997125626,25.0,0.0,3.0,0.0,2.0,13.0,6.0,0.657999992370605,5.0,48.0792007446289,0.270999997854233,0.0,1.35000002384186,
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%29,17.0,0.134835839271545,25.0,0.0,0.0,11.0,2.0,0.0,14.0,-0.36719998717308,0.0,16.8964004516602,2.85199999809265,10.0,2.23000001907349,
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InChI%3D1S%2FC9H12%2Fc1-7-4-5-8%282%299%283%296-7%2Fh4-6H%2C1-3H3,9.0,3.70947599411011,21.0,1.0,0.0,6.0,0.0,0.0,6.0,1.92599999904633,0.0,16.5062999725342,5.0310001373291,6.0,2.45000004768372,
InChI%3D1S%2FC5H8O2%2Fc1-5%282%293-7-4%285%296%2Fh3H2%2C1-2H3,7.0,0.696724116802216,15.0,0.0,0.0,0.0,0.0,0.0,3.0,0.834699988365173,0.0,24.6285991668701,0.354999989271164,0.0,1.78999996185303,
InChI%3D1S%2FC19H18N2O7S2%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%2Fh4-9%2C22H%2C1-3H3%2C%28H%2C23%2C24%2C25%29%28H%2C26%2C27%2C28%29,32.0,0.146459296345711,48.0,0.0,0.0,17.0,,3.0,27.0,0.382699996232986,4.0,40.9096984863281,4.44099998474121,16.0,2.33999991416931,
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InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H,12.0,17.3339004516602,18.0,0.0,0.0,0.0,0.0,0.0,0.0,4.16340017318726,0.0,54.0810012817383,3.83400011062622,0.0,1.46000003814697,
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%29,21.0,1.28323578834534,34.0,0.0,0.0,5.0,6.0,2.0,4.0,-1.1327999830246,2.0,50.312198638916,-0.122000001370907,0.0,1.57000005245209,
InChI%3D1S%2FC6H12N2O%2Fc1-6-4-2-3-5-8%286%297-9%2Fh6H%2C2-5H2%2C1H3,9.0,0.931804060935974,21.0,0.0,0.0,0.0,0.0,2.0,3.0,-0.965300023555756,1.0,31.4006996154785,1.27799999713898,0.0,1.78999996185303,
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%29,15.0,0.171976089477539,20.0,0.0,0.0,5.0,3.0,2.0,8.0,-0.414700001478195,2.0,21.0323009490967,1.59899997711182,5.0,1.24000000953674,