path: root/cv/data/csv/MOU_constitutional.csv

SMILES,nAtomP,nB,nAtomLC,naAromAtom,nAromBond,ALogP,nRotB,MLogP,XLogP,LipinskiFailures,ALogp2,AMR,nAtomLAC,nHBDon,nAtom
InChI%3D1S%2FC24H38O4%2Fc1-5-9-13-19%287-3%2917-27-23%2825%2921-15-11-12-16-22%2821%2924%2826%2928-18-20%288-4%2914-10-6-2%2Fh11-12%2C15-16%2C19-20H%2C5-10%2C13-14%2C17-18H2%2C1-4H3,12,28,11,6,6,-1.78279995918274,16,3.66000008583069,9.04199981689453,2,3.17837572097778,77.5813980102539,7,0,66
InChI%3D1S%2FC2H8N2%2Fc1-3-4-2%2Fh3-4H%2C1-2H3,2,3,4,0,0,-0.63620001077652,1,1.46000003814697,0.583999991416931,0,0.404750436544418,17.9934005737305,0,,12
InChI%3D1S%2FC6H12N2O%2Fc9-7-8-5-3-1-2-4-6-8%2Fh1-6H2,3,9,2,0,0,-1.24259996414185,1,1.78999996185303,1.17599999904633,0,1.54405474662781,29.7278995513916,0,0,21
InChI%3D1S%2FC19H30O5%2Fc1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18%2823-15-24-19%2912-16%2817%296-4-2%2Fh12-13H%2C3-11%2C14-15H2%2C1-2H3,8,25,12,6,6,-1.3944000005722,13,3,3.76500010490417,1,1.94435131549835,66.0001983642578,4,0,54
InChI%3D1S%2FC10H9Cl7%2Fc1-4-6%282%2C3%298%2813%295%2811%297%284%2C12%299%2814%2C15%2910%288%2C16%2917%2Fh5H%2C1H2%2C2-3H3,2,18,0,0,0,5.21360015869141,0,1.78999996185303,4.35300016403198,0,27.1816253662109,76.4124984741211,0,0,26
InChI%3D1S%2FH2O4S%2Fc1-5%282%2C3%294%2Fh%28H2%2C1%2C2%2C3%2C4%29,5,4,5,0,0,-0.657800018787384,0,0.910000026226044,-1.76400005817413,0,0.432700842618942,13.1971998214722,0,,7
InChI%3D1S%2FC14H7Br2NO2%2Fc15-8-5-9%2816%2912%2817%2911-10%288%2913%2818%296-3-1-2-4-7%286%2914%2811%2919%2Fh1-5H%2C17H2,17,21,0,12,12,0.500100016593933,0,2.45000004768372,3.49000000953674,0,0.250100016593933,32.1123008728027,0,1,26
InChI%3D1S%2FC7H5Cl2NO2%2Fc8-3-1-4%287%2811%2912%296%289%295%2810%292-3%2Fh1-2H%2C10H2%2C%28H%2C11%2C12%29,10,12,2,6,6,0.49889999628067,1,1.67999994754791,1.19500005245209,0,0.248901203274727,22.6725997924805,0,2,17
InChI%3D1S%2FC3H4O2%2Fc4-3-1-2-5-3%2Fh1-2H2,3,5,0,0,0,-0.0447000004351139,0,1.57000005245209,-0.138999998569489,0,0.00199808995239437,15.5530996322632,0,0,9
InChI%3D1S%2FCH3NO2%2Fc1-2%283%294%2Fh1H3,2,3,4,0,0,-0.280600011348724,0,1.24000000953674,0.34799998998642,0,0.0787363573908806,8.30230045318604,0,0,7
InChI%3D1S%2FC4H9NO%2Fc1-3-4%282%295-6%2Fh6H%2C3H2%2C1-2H3,3,5,6,0,0,-0.125900000333786,1,1.67999994754791,0.680999994277954,0,0.0158508103340864,24.7532005310059,4,1,15
InChI%3D1S%2FC6H6N6O%2Fc1-12%2811-13%296-4-5%288-2-7-4%299-3-10-6%2Fh2-3H%2C1H3%2C%28H%2C7%2C8%2C9%2C10%29,11,14,4,6,10,-0.0115000000223517,2,1.35000002384186,-0.261000007390976,0,0.000132250002934597,14.3537998199463,0,2,18
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%2C1H3,22,25,2,12,12,0.166700005531311,3,2.67000007629395,6.9210000038147,1,0.0277888905256987,33.880500793457,0,,36
InChI%3D1S%2FC2H4Cl2O%2Fc3-1-5-2-4%2Fh1-2H2,0,4,5,0,0,0.924300014972687,2,1.35000002384186,0.833999991416931,0,0.854330480098724,22.2912998199463,0,0,9
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%2C17H2,10,20,6,12,12,-0.361600011587143,5,2.89000010490417,6.27099990844727,1,0.130754560232162,25.5445995330811,3,1,34
InChI%3D1S%2FC24H34O9%2Fc1-12%282%297-18%2827%2932-16-9-23%2810-29-14%284%2925%2917%288-13%2816%293%2933-21-19%2828%2920%2831-15%285%2926%2922%2823%2C6%2924%2821%2911-30-24%2Fh8%2C12%2C16-17%2C19-21%2C28H%2C7%2C9-11H2%2C1-6H3,3,36,7,0,0,-0.0489999987185001,9,3.10999989509583,1.69200003147125,0,0.00240099988877773,113.26969909668,4,1,67
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%29,3,49,50,0,0,-4.60459995269775,31,3.44000005722046,1.73099994659424,3,21.2023410797119,161.808502197266,20,8,109
InChI%3D1S%2FC24H51O4P%2Fc1-7-13-16-22%2810-4%2919-26-29%2825%2C27-20-23%2811-5%2917-14-8-2%2928-21-24%2812-6%2918-15-9-3%2Fh22-24H%2C7-21H2%2C1-6H3,5,28,29,0,0,-2.49959993362427,21,3.54999995231628,9.37199974060059,2,6.2480001449585,108.505699157715,7,0,80
InChI%3D1S%2FC20H14O4%2Fc21-15-9-5-13%286-10-15%2920%2814-7-11-16%2822%2912-8-14%2918-4-2-1-3-17%2818%2919%2823%2924-20%2Fh1-12%2C21-22H,9,27,0,18,18,-1.29659998416901,2,3.22000002861023,4.90999984741211,0,1.68117153644562,13.7238998413086,0,2,38
InChI%3D1S%2FC6Cl5NO2%2Fc7-1-2%288%294%2810%296%2812%2813%2914%295%2811%293%281%299,9,14,2,6,6,3.67490005493164,1,1.24000000953674,3.16300010681152,0,13.5048904418945,30.9638004302979,0,0,14
InChI%3D1S%2FC2H6N2O%2Fc1-4%283%292-5%2Fh2H%2C3H2%2C1H3,4,4,5,0,0,-1.19690001010895,1,1.35000002384186,-1.62999999523163,0,1.43256962299347,19.7747001647949,0,1,11
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%2C1-3H3,21,30,6,18,18,0.470400005578995,8,4.09999990463257,10.7559995651245,1,0.221276164054871,43.5638008117676,4,0,57
InChI%3D1S%2FC6H6ClN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,7,8,0,6,6,-0.00559999980032444,0,1.89999997615814,1.86199998855591,0,3.13599994115066e-05,9.83769989013672,0,1,14
InChI%3D1S%2FC8H20N2%2Fc1-3-5-7-9-10-8-6-4-2%2Fh9-10H%2C3-8H2%2C1-2H3,2,9,10,0,0,-1.86699998378754,7,2.11999988555908,3.28399991989136,0,3.48568892478943,39.4682006835938,4,,30
InChI%3D1S%2FC20H16%2Fc1-13-16-8-5-6-9-17%2816%2914%282%2920-18%2813%2912-11-15-7-3-4-10-19%2815%2920%2Fh3-12H%2C1-2H3,18,23,0,18,21,1.28400003910065,0,3.66000008583069,10.3360004425049,1,1.64865601062775,11.0041999816895,0,0,36
InChI%3D1S%2FC5H12N2O%2Fc1-2-3-4-7%286%295-8%2Fh5H%2C2-4%2C6H2%2C1H3,4,7,8,0,0,-1.81229996681213,4,1.67999994754791,-0.280000001192093,0,3.28443121910095,30.5121002197266,4,1,20
InChI%3D1S%2FC4H7NO2%2Fc1-2-4%287%295-3-6%2Fh2%2C6H%2C1%2C3H2%2C%28H%2C5%2C7%29,5,6,7,0,0,-1.04579997062683,2,1.57000005245209,-0.151999995112419,0,1.09369766712189,25.4099998474121,3,2,14
InChI%3D1S%2FC2H3Cl3O2%2Fc3-2%284%2C5%291%286%297%2Fh1%2C6-7H,0,6,7,0,0,0.89980000257492,1,1.12999999523163,0.801999986171722,0,0.809640049934387,29.2457008361816,2,2,10
InChI%3D1S%2FC6H6ClN%2Fc7-4-6-2-1-3-8-5-6%2Fh1-3%2C5H%2C4H2,6,8,2,6,6,0.755900025367737,1,1.89999997615814,1.85399997234344,0,0.571384787559509,10.3277997970581,0,,14
InChI%3D1S%2FC7H6N4O3S%2Fc8-10-7-9-4%283-15-7%295-1-2-6%2814-5%2911%2812%2913%2Fh1-3H%2C8H2%2C%28H%2C9%2C10%29,15,16,2,10,10,-0.625999987125397,3,1.35000002384186,0.989000022411346,0,0.391876012086868,20.8824996948242,0,2,21
InChI%3D1S%2FC9H8O4%2Fc10-7-3-1-6%285-8%287%2911%292-4-9%2812%2913%2Fh1-5%2C10-11H%2C%28H%2C12%2C13%29,13,13,5,6,6,-0.799300014972687,2,2.00999999046326,1.14100003242493,0,0.638880491256714,22.5919990539551,3,3,21
InChI%3D1S%2FC12H15N3O5%2Fc13-9%2812%2819%2920%295-6-10%2816%2915-14-8-3-1-7%282-4-8%2911%2817%2918%2Fh1-4%2C9%2C14H%2C5-6%2C13H2%2C%28H%2C15%2C16%29%28H%2C17%2C18%29%28H%2C19%2C20%29,13,20,11,6,6,-2.14179992675781,7,1.89999997615814,-0.72299998998642,0,4.58730745315552,41.2206993103027,5,5,35
InChI%3D1S%2FC4H5Cl%2Fc1-3-4%282%295%2Fh3H%2C1-2H2,4,4,5,0,0,1.78369998931885,1,1.78999996185303,1.68900001049042,0,3.18158578872681,25.0105991363525,4,0,10
InChI%3D1S%2FC2H3ClO%2Fc3-1-2-4%2Fh2H%2C1H2,1,3,4,0,0,0.350100010633469,1,1.46000003814697,0.570999979972839,0,0.122570008039474,16.4715003967285,2,0,7
InChI%3D1S%2FC8H16N2O%2Fc1-3-4-5-6-7-9-10%282%298-11%2Fh7-8H%2C3-6H2%2C1-2H3,5,10,11,0,0,-1.41349995136261,6,2.00999999046326,2.51099991798401,0,1.99798226356506,41.2243003845215,6,0,27
InChI%3D1S%2FC6H8N2%2Fc7-8-6-4-2-1-3-5-6%2Fh1-5%2C8H%2C7H2,8,8,2,6,6,-1.01590001583099,1,1.89999997615814,1.75300002098083,0,1.03205275535583,8.58409976959229,0,2,16
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%29,8,18,2,6,6,-1.12360000610352,2,2.23000001907349,3.76099991798401,0,1.26247692108154,34.4664001464844,2,2,29
InChI%3D1S%2FC7H8ClN%2Fc1-5-4-6%288%292-3-7%285%299%2Fh2-4H%2C9H2%2C1H3,7,9,0,6,6,0.636399984359741,0,2.00999999046326,1.97399997711182,0,0.405004948377609,15.3397998809814,0,,17
InChI%3D1S%2FC18H20O2%2Fc1-3-17%2813-5-9-15%2819%2910-6-13%2918%284-2%2914-7-11-16%2820%2912-8-14%2Fh5-12%2C19-20H%2C3-4H2%2C1-2H3,16,21,6,12,12,-0.230199992656708,4,3.22000002861023,5.66200017929077,1,0.0529920384287834,33.7085990905762,6,2,40
InChI%3D1S%2FC5H10N2O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H2,3,8,2,0,0,-0.954599976539612,1,1.67999994754791,0.818000018596649,0,0.911261141300201,26.8162994384766,0,0,18
InChI%3D1S%2FC24H36O5%2Fc1-5-15%283%2924%2827%2929-21-11-14%282%2910-17-7-6-16%284%2920%2823%2817%2921%299-8-19-12-18%2825%2913-22%2826%2928-19%2Fh6-7%2C10%2C14-16%2C18-21%2C23%2C25H%2C5%2C8-9%2C11-13H2%2C1-4H3,4,31,7,0,0,-0.099200002849102,7,3.54999995231628,4.57399988174438,0,0.00984064023941755,105.645500183105,4,1,65
InChI%3D1S%2FC11H17N3O4%2Fc1-12-10-3-2-9%288-11%2810%2914%2817%2918%2913%284-6-15%295-7-16%2Fh2-3%2C8%2C12%2C15-16H%2C4-7H2%2C1H3,11,18,7,6,6,-1.2257000207901,7,1.89999997615814,1.08200001716614,0,1.50234043598175,38.7584991455078,2,3,35
InChI%3D1S%2FC12H5Cl5%2Fc13-8-3-1-2-6%2810%288%2915%297-4-5-9%2814%2912%2817%2911%287%2916%2Fh1-5H,12,18,0,12,12,3.72149991989136,1,2.23000001907349,5.23999977111816,1,13.8495626449585,28.0779991149902,0,,22
InChI%3D1S%2FC9H12N2O2%2Fc1-7%2813%2910-11-9-4-2-8%286-12%293-5-9%2Fh2-5%2C11-12H%2C6H2%2C1H3%2C%28H%2C10%2C13%29,10,13,5,6,6,-0.94080001115799,3,2.00999999046326,2.28900003433228,0,0.885104656219482,24.4776000976562,0,3,25
InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-5-11%286-3-9%2914%2812%2910-4-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29,5,14,7,0,0,0.0841000005602837,5,1.46000003814697,0.834999978542328,0,0.0070728100836277,55.7243003845215,2,1,29
InChI%3D1S%2FC8H14ClNS2%2Fc1-4-10%285-2%298%2811%2912-6-7%283%299%2Fh3-6H2%2C1-2H3,3,11,12,0,0,3.16650009155273,6,1.89999997615814,2.74499988555908,0,10.0267219543457,62.7835998535156,3,0,26
InChI%3D1S%2FC12H4Cl4O2%2Fc13-5-1-9-10%282-6%285%2914%2918-12-4-8%2816%297%2815%293-11%2812%2917-9%2Fh1-4H,14,20,0,12,12,2.66899991035461,0,2.11999988555908,4.15999984741211,0,7.12356090545654,25.7005996704102,0,0,22
InChI%3D1S%2FC6H6O4%2Fc7-2-4-1-5%288%296%289%293-10-4%2Fh1%2C3%2C7%2C9H%2C2H2,1,10,2,0,0,-1.48800003528595,1,1.67999994754791,-1.56200003623962,0,2.21414399147034,32.7886009216309,0,2,20
InChI%3D1S%2FC14H19Cl2NO2%2Fc15-8-10-17%2811-9-16%2913-6-4-12%285-7-13%292-1-3-14%2818%2919%2Fh4-7H%2C1-3%2C8-11H2%2C%28H%2C18%2C19%29,7,19,7,6,6,1.11759996414185,9,2.45000004768372,4.29199981689453,0,1.24902975559235,52.5234985351562,4,1,38
InChI%3D1S%2FC12H14N4O2S%2Fc1-8-7-9%282%2915-12%2814-8%2916-19%2817%2C18%2911-5-3-10%2813%294-6-11%2Fh3-7H%2C13H2%2C1-2H3%2C%28H%2C14%2C15%2C16%29,17,20,4,12,12,-0.807399988174438,3,2.00999999046326,1.73399996757507,0,0.651894748210907,26.8286991119385,0,2,33
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%2C1-2H3,14,17,0,12,12,-0.215800002217293,1,2.77999997138977,3.34599995613098,0,0.0465696416795254,19.4484004974365,0,,32
InChI%3D1S%2FC3H6O%2Fc1-3-2-4-3%2Fh3H%2C2H2%2C1H3,0,4,0,0,0,-0.141599997878075,0,1.67999994754791,0.270000010728836,0,0.0200505591928959,15.6279001235962,0,0,10
InChI%3D1S%2FC7H10N2%2Fc8-9-6-7-4-2-1-3-5-7%2Fh1-5%2C9H%2C6%2C8H2,6,9,3,6,6,-1.00429999828339,2,2.00999999046326,2.11800003051758,0,1.00861847400665,13.2962999343872,0,,19
InChI%3D1S%2FC6H7ClN2%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3H%2C8-9H2,8,9,0,6,6,-0.755500018596649,0,1.78999996185303,0.832000017166138,0,0.570780277252197,14.0598001480103,0,2,16
InChI%3D1S%2FC9H11NO2%2Fc1-2-12-8-6-4-3-5-7%288%299%2810%2911%2Fh3-6H%2C2H2%2C1H3%2C%28H2%2C10%2C11%29,10,12,3,6,6,0.116999998688698,3,2.11999988555908,2.62899994850159,0,0.013689000159502,20.0860004425049,2,2,23
InChI%3D1S%2FC11H9N3%2Fc12-10-6-5-8-7-3-1-2-4-9%287%2913-11%288%2914-10%2Fh1-6H%2C%28H3%2C12%2C13%2C14%29,7,16,0,6,10,-0.379400014877319,0,2.33999991416931,2.64299988746643,0,0.143944352865219,18.1131992340088,0,3,24
InChI%3D1S%2FC7H10N2O%2Fc1-10-7-3-2-5%288%294-6%287%299%2Fh2-4H%2C8-9H2%2C1H3,9,10,2,6,6,-1.55159997940063,1,1.89999997615814,0.291999995708466,0,2.40746259689331,15.7600002288818,0,,20
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%29,52,57,3,30,30,-4.10150003433228,9,3.22000002861023,7.25899982452393,3,16.822301864624,59.4005012512207,0,,79
InChI%3D1S%2FC2H2Cl4%2Fc3-1-2%284%2C5%296%2Fh1H2,0,5,6,0,0,2.44409990310669,1,1.24000000953674,2.81100010871887,0,5.97362470626831,31.2667999267578,2,0,8
InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29,0,6,0,0,5,0.0513000003993511,0,1.67999994754791,0.535000026226044,0,0.00263168988749385,5.89870023727417,0,2,11
InChI%3D1S%2FC10H8Cl8%2Fc1-4-7%282-11%2C3-12%299%2816%296%2814%295%2813%298%284%2C15%2910%289%2C17%2918%2Fh5-6H%2C1-3H2,2,19,2,0,0,5.04790019989014,2,1.67999994754791,4.52099990844727,0,25.481294631958,80.5724029541016,0,,26
InChI%3D1S%2FC2H5NO%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29,3,3,4,0,0,-0.0716999992728233,0,1.46000003814697,0.32600000500679,0,0.00514088990166783,13.9007997512817,2,2,9
InChI%3D1S%2FC4H8N2O%2Fc1-3-5-6%282%294-7%2Fh3-4H%2C1-2H3,5,6,7,0,0,-0.625699996948242,2,1.57000005245209,0.550999999046326,0,0.391500502824783,27.4659996032715,2,0,15
InChI%3D1S%2FC10H12N2O4%2Fc1-3-16-10-5-4-8%2811-7%282%2913%296-9%2810%2912%2814%2915%2Fh4-6H%2C3H2%2C1-2H3%2C%28H%2C11%2C13%29,13,16,4,6,6,0.0803000032901764,4,1.89999997615814,2.49499988555908,0,0.00644809007644653,28.3962001800537,2,1,28
InChI%3D1S%2FC9H7N7O2S%2Fc1-15-4-14-7%2816%2817%2918%299%2815%2919-8-5-6%2811-2-10-5%2912-3-13-8%2Fh2-4H%2C1H3%2C%28H%2C10%2C11%2C12%2C13%29,8,21,2,6,15,0.659500002861023,3,1.35000002384186,0.365000009536743,0,0.434940248727798,19.2740001678467,0,3,25
InChI%3D1S%2FC6H14O2%2Fc1-2-3-5-8-6-4-7%2Fh7H%2C2-6H2%2C1H3,0,7,8,0,0,-1.10430002212524,5,1.89999997615814,0.66100001335144,0,1.21947848796844,30.042200088501,4,1,22
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%29,8,16,7,5,5,-0.354999989271164,5,1.01999998092651,-1.21200001239777,0,0.126025006175041,33.9707984924316,2,,26
InChI%3D1S%2FC22H42O4%2Fc1-5-9-13-19%287-3%2917-25-21%2823%2915-11-12-16-22%2824%2926-18-20%288-4%2914-10-6-2%2Fh19-20H%2C5-18H2%2C1-4H3,3,25,26,0,0,-2.28920006752014,19,3.44000005722046,7.35599994659424,2,5.24043655395508,92.5029983520508,7,0,68
InChI%3D1S%2FC13H12Cl2N2%2Fc14-10-6-8%281-3-12%2810%2916%295-9-2-4-13%2817%2911%2815%297-9%2Fh1-4%2C6-7H%2C5%2C16-17H2,7,18,0,12,12,0.444999992847443,2,2.45000004768372,3.46099996566772,0,0.1980250030756,24.2763996124268,0,2,29
InChI%3D1S%2FC5H14N2%2Fc1-2-3-4-5-7-6%2Fh7H%2C2-6H2%2C1H3,2,6,7,0,0,-1.81700003147125,4,1.78999996185303,1.12899994850159,0,3.30148911476135,27.9298000335693,5,,21
InChI%3D1S%2FC7H6O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-6H,8,8,2,6,6,-0.192399993538857,1,2.11999988555908,3.07999992370605,0,0.0370177589356899,6.29390001296997,0,0,14
InChI%3D1S%2FC9H8O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-4H%2C5-6H2,9,12,0,6,6,0.00609999988228083,0,2.23000001907349,2.45099997520447,0,3.72100003005471e-05,15.7062997817993,0,0,19
InChI%3D1S%2FC15H9NO4%2Fc1-8-6-7-11-12%2813%288%2916%2819%2920%2915%2818%2910-5-3-2-4-9%2810%2914%2811%2917%2Fh2-7H%2C1H3,19,22,2,12,12,0.0678000003099442,1,2.55999994277954,3.65100002288818,0,0.00459684012457728,19.0799007415771,0,0,29
InChI%3D1S%2FC6H13NO3S%2Fc8-11%289%2C10%297-6-4-2-1-3-5-6%2Fh6-7H%2C1-5H2%2C%28H%2C8%2C9%2C10%29,5,11,5,0,0,-2.54320001602173,2,1.57000005245209,0.319000005722046,0,6.46786642074585,31.3752994537354,0,,24
InChI%3D1S%2FC24H31Cl2N5O7%2Fc1-2-14-21%2835%2930-16%2810-32%2922%2836%2929-15%2812-6-4-3-5-7-12%298-18%2834%2927-17%2811-33%2924%2838%2931-9-13%2825%2919%2826%2920%2831%2923%2837%2928-14%2Fh3-7%2C13-17%2C19-20%2C32-33H%2C2%2C8-11H2%2C1H3%2C%28H%2C27%2C34%29%28H%2C28%2C37%29%28H%2C29%2C36%29%28H%2C30%2C35%29,6,40,2,6,6,-1.45200002193451,4,2.55999994277954,1.83000004291534,2,2.10830402374268,108.595100402832,0,6,69
InChI%3D1S%2FC7H14N2O%2Fc1-7%282%294-5-8-9%283%296-10%2Fh5-7H%2C4H2%2C1-3H3,5,9,10,0,0,-0.0278999991714954,4,1.89999997615814,1.88100004196167,0,0.000778410001657903,40.8586006164551,4,0,24
InChI%3D1S%2FC7H8N2O2%2Fc1-5-2-3-6%289%2810%2911%294-7%285%298%2Fh2-4H%2C8H2%2C1H3,10,11,3,6,6,-0.154499992728233,1,1.78999996185303,1.76499998569489,0,0.023870250210166,12.6099996566772,0,1,19
InChI%3D1S%2FC9H4Cl3NO2S%2Fc10-9%2811%2C12%2916-13-7%2814%295-3-1-2-4-6%285%298%2813%2915%2Fh1-4H,11,17,5,6,6,2.93129992485046,2,1.67999994754791,3.80200004577637,0,8.59251976013184,40.8891983032227,0,0,20
InChI%3D1S%2FC6H6O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C7-8H,8,8,0,6,6,-0.92059999704361,0,1.89999997615814,1.29900002479553,0,0.847504377365112,5.12919998168945,0,2,14
InChI%3D1S%2FC6H7N3O%2Fc7-9-6%2810%295-2-1-3-8-4-5%2Fh1-4H%2C7H2%2C%28H%2C9%2C10%29,10,10,4,6,6,-0.677100002765656,1,1.67999994754791,0.319999992847443,0,0.458464413881302,13.7604999542236,0,2,17
InChI%3D1S%2FC9H13N%2Fc1-6-4-7%282%299%2810%298%283%295-6%2Fh4-5H%2C10H2%2C1-3H3,7,10,0,6,6,1.17610001564026,0,2.33999991416931,2.5239999294281,0,1.38321125507355,20.7283992767334,0,,23
InChI%3D1S%2FC12H12N4%2Fc1-7-6-9-8%284-3-5-14-9%2910-11%287%2916%282%2912%2813%2915-10%2Fh3-6H%2C1-2H3%2C%28H2%2C13%2C15%29,14,18,0,10,11,0.274800002574921,0,2.33999991416931,2.96399998664856,0,0.0755150392651558,22.3985004425049,0,2,28
InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3,12,13,3,6,6,0.548799991607666,2,1.57000005245209,2.68199992179871,0,0.301181435585022,11.273699760437,0,0,19
InChI%3D1S%2FC24H29ClO4%2Fc1-12%2826%2924%2829-13%282%2927%298-6-16-14-10-20%2825%2919-11-21%2828%2915-9-18%2815%2923%2819%2C4%2917%2814%295-7-22%2816%2C24%293%2Fh10-11%2C14-18H%2C5-9H2%2C1-4H3,6,33,4,0,0,1.27230000495911,3,3.54999995231628,3.28200006484985,0,1.61874723434448,111.438301086426,2,0,58
InChI%3D1S%2FC12H14O4%2Fc1-2-9%2813-5-11-7-15-11%294-10%283-1%2914-6-12-8-16-12%2Fh1-4%2C11-12H%2C5-8H2,8,18,2,6,6,-0.670799970626831,6,2.33999991416931,1.182000041008,0,0.449972629547119,32.1209983825684,0,0,30
InChI%3D1S%2FC20H38N6O4%2Fc1-12%282%299-16%2824-14%285%2928%2919%2830%2926-17%2810-13%283%294%2918%2829%2925-15%2811-27%297-6-8-23-20%2821%2922%2Fh11-13%2C15-17H%2C6-10H2%2C1-5H3%2C%28H%2C24%2C28%29%28H%2C25%2C29%29%28H%2C26%2C30%29%28H4%2C21%2C22%2C23%29,4,29,30,0,0,-0.275499999523163,15,2.55999994277954,2.73799991607666,2,0.0759002491831779,106.290199279785,5,6,68
InChI%3D1S%2FC3H7N5O3%2Fc1-2-5-3%284%297%286-9%298%2810%2911%2Fh2H2%2C1H3%2C%28H2%2C4%2C5%29,9,10,11,0,0,0.234099999070168,5,0.910000026226044,0.737999975681305,0,0.0548028089106083,30.2331008911133,2,,18
InChI%3D1S%2FC11H11N5%2Fc1-6-5-13-7-3-4-8-10%289%287%2914-6%2915-11%2812%2916%288%292%2Fh3-5H%2C1-2H3%2C%28H2%2C12%2C15%29,14,18,0,10,11,0.0723000019788742,0,2.11999988555908,2.33800005912781,0,0.00522729009389877,22.6289005279541,0,2,27
InChI%3D1S%2FC3H5ClO%2Fc1-3%284%292-5%2Fh2-3H%2C1H3,1,4,5,0,0,0.446099996566772,1,1.57000005245209,0.864000022411346,0,0.199005216360092,21.1310005187988,3,0,10
InChI%3D1S%2FC7H5N3O3S%2Fc8-7-9-4%283-14-7%295-1-2-6%2813-5%2910%2811%2912%2Fh1-3H%2C%28H2%2C8%2C9%29,8,15,2,5,5,0.392899990081787,2,1.46000003814697,1.60199999809265,0,0.154370412230492,29.1082000732422,0,2,21
InChI%3D1S%2FC11H14N2O4%2Fc12-10%2814%2916-6-9%287-17-11%2813%2915%298-4-2-1-3-5-8%2Fh1-5%2C9H%2C6-7H2%2C%28H2%2C12%2C14%29%28H2%2C13%2C15%29,6,17,11,6,6,0.655499994754791,7,2.00999999046326,4.34600019454956,0,0.42968025803566,31.8826007843018,3,4,31
InChI%3D1S%2FC10H12O2%2Fc1-3-10%2811%298-4-6-9%2812-2%297-5-8%2Fh3-7%2C10-11H%2C1H2%2C2H3,7,12,4,6,6,0.144999995827675,3,2.33999991416931,2.04999995231628,0,0.0210250001400709,23.425500869751,3,1,24
InChI%3D1S%2FC4H10N2O%2Fc1-2-3-6%285%294-7%2Fh4H%2C2-3%2C5H2%2C1H3,4,6,7,0,0,-1.5242999792099,3,1.57000005245209,-0.848999977111816,0,2.32349038124084,27.6005001068115,3,1,17
InChI%3D1S%2FC4H6O2%2Fc1-3-6-4%282%295%2Fh3H%2C1H2%2C2H3,5,5,6,0,0,0.10530000180006,2,1.67999994754791,0.694000005722046,0,0.0110880900174379,21.1049995422363,2,0,12
InChI%3D1S%2FC15H12N2O2%2Fc18-13-15%2817-14%2819%2916-13%2C11-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H%2C%28H2%2C16%2C17%2C18%2C19%29,6,21,0,12,12,-0.575900018215179,2,2.67000007629395,4.85400009155273,0,0.331660807132721,19.0569000244141,0,2,31
InChI%3D1S%2FC2H3Cl3%2Fc3-1-2%284%295%2Fh2H%2C1H2,0,4,5,0,0,1.95550000667572,1,1.35000002384186,2.15799999237061,0,3.8239803314209,25.7096996307373,2,0,8
InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296,2,5,6,0,0,2.42880010604858,0,1.24000000953674,3.02600002288818,0,5.89906930923462,30.9454002380371,2,0,6
InChI%3D1S%2FC4H4N2OS%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29,7,8,0,6,6,0.0507000014185905,0,1.46000003814697,0.428999990224838,0,0.00257048988714814,11.256199836731,0,1,12
InChI%3D1S%2FC6H4O2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H,8,8,0,0,0,-0.0187999997287989,0,1.89999997615814,-0.228000000119209,0,0.000353440002072603,31.0287990570068,0,0,12
InChI%3D1S%2FC2F4%2Fc3-1%284%292%285%296,2,5,6,0,0,1.28159999847412,0,1.24000000953674,1.182000041008,0,1.64249861240387,12.4054002761841,2,0,6
InChI%3D1S%2FCH5N3O%2Fc2-1%285%294-3%2Fh3H2%2C%28H3%2C2%2C4%2C5%29,5,4,5,0,0,-0.670000016689301,1,1.12999999523163,-0.663999974727631,0,0.448900014162064,16.2616004943848,0,,10
InChI%3D1S%2FC6H12N2O3%2Fc1-8%282%297-5%289%293-4-6%2810%2911%2Fh3-4H2%2C1-2H3%2C%28H%2C7%2C9%29%28H%2C10%2C11%29,4,10,11,0,0,-0.034000001847744,4,1.57000005245209,-0.247999995946884,0,0.00115599995478988,39.0854988098145,4,2,23
InChI%3D1S%2FC14H7ClF3NO5%2Fc15-10-5-7%2814%2816%2C17%2918%291-4-12%2810%2924-8-2-3-11%2819%2822%2923%299%286-8%2913%2820%2921%2Fh1-6H%2C%28H%2C20%2C21%29,19,25,3,12,12,1.40190005302429,5,1.89999997615814,5.01800012588501,1,1.96532356739044,23.7744007110596,0,1,31
InChI%3D1S%2FC9H10O2%2Fc1-8%2810%2911-7-9-5-3-2-4-6-9%2Fh2-6H%2C7H2%2C1H3,6,11,5,6,6,-0.0696000009775162,3,2.23000001907349,3.1489999294281,0,0.00484415981918573,16.4283008575439,2,0,21
InChI%3D1S%2FC2H5N3O2%2Fc1-5%284-7%292%283%296%2Fh1H3%2C%28H2%2C3%2C6%29,6,6,7,0,0,0.425300002098083,2,1.12999999523163,-0.149000003933907,0,0.180880084633827,22.8313007354736,0,2,12
InChI%3D1S%2FC15H24O%2Fc1-10-8-11%2814%282%2C3%294%2913%2816%2912%289-10%2915%285%2C6%297%2Fh8-9%2C16H%2C1-7H3,7,16,3,6,6,3.29410004615784,2,3,5.95699977874756,1,10.851095199585,46.3203010559082,0,1,40
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%29,7,17,0,6,10,-0.4408999979496,0,2.45000004768372,2.57299995422363,0,0.194392815232277,22.5443992614746,0,,27
InChI%3D1S%2FC5H12O%2Fc1-5%282%2C3%296-4%2Fh1-4H3,0,5,6,0,0,0.981800019741058,1,1.89999997615814,1.32000005245209,0,0.963931262493134,26.8162994384766,0,0,18
InChI%3D1S%2FC18H22O5%2Fc1-12-6-5-8-13%2819%297-3-2-4-9-15-16%2818%2822%2923-12%2910-14%2820%2911-17%2815%2921%2Fh4%2C9-12%2C20-21H%2C2-3%2C5-8H2%2C1H3,13,24,0,6,6,-1.34560000896454,0,2.89000010490417,2.42199993133545,0,1.81063938140869,58.6670989990234,0,,45
InChI%3D1S%2FC10H9N%2Fc11-10-7-3-5-8-4-1-2-6-9%288%2910%2Fh1-7H%2C11H2,11,12,0,10,11,-0.749899983406067,0,2.45000004768372,3.64199995994568,0,0.562350034713745,4.22209978103638,0,1,20
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%29,6,17,18,0,0,-1.90499997138977,8,1.24000000953674,-3.41100001335144,0,3.62902498245239,57.6123008728027,6,,33
InChI%3D1S%2FC12H8Cl6%2Fc13-8-9%2814%2911%2816%297-5-2-1-4%283-5%296%287%2910%288%2C15%2912%2811%2C17%2918%2Fh1-2%2C4-7H%2C3H2,2,21,0,0,0,3.06080007553101,0,2.11999988555908,4.1560001373291,0,9.36849689483643,78.0286026000977,0,0,26
InChI%3D1S%2FC2H2Cl2%2Fc1-2%283%294%2Fh1H2,2,3,4,0,0,1.68799996376038,0,1.46000003814697,1.93299996852875,0,2.84934401512146,20.460599899292,0,0,6
InChI%3D1S%2FC7H6O3%2Fc8-5-1-2-6-7%283-5%2910-4-9-6%2Fh1-3%2C8H%2C4H2,9,11,0,6,6,-0.763000011444092,0,1.89999997615814,0.871999979019165,0,0.582168996334076,10.0367002487183,0,1,16
InChI%3D1S%2FC6H8O%2Fc1-2-3-4-5-6-7%2Fh2-6H%2C1H3,6,6,7,0,0,1.07599997520447,2,2.00999999046326,1.5110000371933,0,1.15777599811554,32.5885009765625,6,,15
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%29,7,19,7,6,6,0.463800013065338,8,2.23000001907349,0.514999985694885,0,0.215110436081886,52.6076011657715,3,2,37
InChI%3D1S%2FC6H12Cl3O4P%2Fc7-1-4-11-14%2810%2C12-5-2-8%2913-6-3-9%2Fh1-6H2,5,13,14,0,0,2.20379996299744,9,1.24000000953674,1.60500001907349,0,4.85673427581787,56.1287002563477,2,0,26
InChI%3D1S%2FC9H8N4O2S%2Fc10-12-9-11-8%285-16-9%296-1-3-7%284-2-6%2913%2814%2915%2Fh1-5H%2C10H2%2C%28H%2C11%2C12%29,16,17,2,11,11,-0.47189998626709,3,1.67999994754791,2.20499992370605,0,0.222689613699913,19.2633991241455,0,3,24
InChI%3D1S%2FC12H9N%2Fc1-3-7-11-9%285-1%2910-6-2-4-8-12%2810%2913-11%2Fh1-8%2C13H,13,15,0,12,15,0,0,2.67000007629395,4.19000005722046,0,0,0,0,1,21
InChI%3D1S%2FC7H16O2%2Fc1-6%288%295-9-7%282%2C3%294%2Fh6%2C8H%2C5H2%2C1-4H3,0,8,9,0,0,0.431699991226196,3,2.00999999046326,1.07099997997284,0,0.186364889144897,37.693000793457,3,1,25
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%29,4,18,2,0,0,-1.73510003089905,2,1.35000002384186,-1.72200000286102,1,3.01057195663452,51.6804008483887,0,7,33
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%2C1H3,7,22,9,12,12,0.650699973106384,8,3.10999989509583,6.54899978637695,1,0.423410475254059,38.2780990600586,3,0,43
InChI%3D1S%2FC13H16F3N3O4%2Fc1-3-5-17%286-4-2%2912-10%2818%2820%2921%297-9%2813%2814%2C15%2916%298-11%2812%2919%2822%2923%2Fh7-8H%2C3-6H2%2C1-2H3,13,23,7,6,6,0.567900002002716,8,1.78999996185303,4.84499979019165,0,0.322510421276093,42.1492004394531,3,0,39
InChI%3D1S%2FC6H11Cl3O3%2Fc7-3-10-1-6%2812-5-9%292-11-4-8%2Fh6H%2C1-5H2,0,11,12,0,0,1.12810003757477,8,1.46000003814697,0.898000001907349,0,1.27260959148407,48.6879005432129,3,0,23
InChI%3D1S%2FC8H8%2Fc1-2-8-6-4-3-5-7-8%2Fh2-7H%2C1H2,8,8,2,6,6,0.707499980926514,1,2.33999991416931,4.9539999961853,0,0.500556230545044,10.1471996307373,2,0,16
InChI%3D1S%2FC3H6O2%2Fc4-1-3-2-5-3%2Fh3-4H%2C1-2H2,0,5,2,0,0,-0.641600012779236,1,1.57000005245209,-0.861999988555908,0,0.411650568246841,17.0060005187988,0,1,11
InChI%3D1S%2FC10Cl12%2Fc11-1-2%2812%297%2817%294%2814%293%2813%2C5%281%2C15%299%287%2C19%2920%296%281%2C16%2910%2821%2C22%298%282%2C4%2918,0,26,0,0,0,5.84999990463257,0,1.24000000953674,6.35799980163574,1,34.2224998474121,92.3588027954102,0,0,22
InChI%3D1S%2FC8H6O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6H,7,10,0,6,10,-0.154100000858307,0,2.23000001907349,2.64599990844727,0,0.0237468108534813,1.61909997463226,0,0,15
InChI%3D1S%2FC3H7NO2%2Fc1-2-6-3%284%295%2Fh2H2%2C1H3%2C%28H2%2C4%2C5%29,4,5,6,0,0,0.821900010108948,2,1.46000003814697,0.9200000166893,0,0.675519585609436,19.8181991577148,2,2,13
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%2C1-6H3,12,49,4,12,16,-0.443800002336502,10,3.88000011444092,2.89499998092651,0,0.196958437561989,99.9578018188477,0,1,83
InChI%3D1S%2FC16H14Cl2O3%2Fc1-2-21-15%2819%2916%2820%2C11-3-7-13%2817%298-4-11%2912-5-9-14%2818%2910-6-12%2Fh3-10%2C20H%2C2H2%2C1H3,6,22,7,12,12,1.00499999523163,5,2.67000007629395,4.15899991989136,0,1.01002502441406,32.3810005187988,2,1,35
InChI%3D1S%2FC13H11ClO%2Fc14-12-6-7-13%2815%2911%289-12%298-10-4-2-1-3-5-10%2Fh1-7%2C9%2C15H%2C8H2,7,16,0,12,12,0.740199983119965,2,2.67000007629395,5.51700019836426,1,0.547896027565002,12.7812004089355,0,1,26
InChI%3D1S%2FC7H5N3O2%2Fc11-10%2812%295-1-2-6-7%283-5%299-4-8-6%2Fh1-4H%2C%28H%2C8%2C9%29,11,13,3,6,10,-0.0465999990701675,1,1.67999994754791,1.69200003147125,0,0.00217155995778739,2.88579988479614,0,2,16
InChI%3D1S%2FC14H9Cl5%2Fc15-11-5-1-9%282-6-11%2913%2814%2817%2C18%2919%2910-3-7-12%2816%298-4-10%2Fh1-8%2C13H,6,20,5,12,12,3.14249992370605,3,2.45000004768372,7.01999998092651,1,9.87530612945557,35.7430992126465,2,0,28
InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H,7,12,0,6,6,3.26119995117188,0,1.46000003814697,2.31299996376038,0,10.635425567627,30.642599105835,0,1,13
InChI%3D1S%2FC6H7ClN2%2Fc7-5-2-1-4%288%293-6%285%299%2Fh1-3H%2C8-9H2,8,9,0,6,6,-0.755500018596649,0,1.78999996185303,0.832000017166138,0,0.570780277252197,14.0598001480103,0,2,16
InChI%3D1S%2FC2HCl3%2Fc3-1-2%284%295%2Fh1H,2,4,5,0,0,1.74279999732971,0,1.35000002384186,2.64199995994568,0,3.03735184669495,25.2621994018555,2,0,6
InChI%3D1S%2FC15H16N4O%2Fc1-3-19-15-13%2810%282%2918-19%2917-12%2820%299-16-14%2815%2911-7-5-4-6-8-11%2Fh4-8H%2C3%2C9H2%2C1-2H3%2C%28H%2C17%2C20%29,8,22,2,6,11,0.416399985551834,2,2.55999994277954,2.91000008583069,0,0.173388957977295,38.2625007629395,2,2,36
InChI%3D1S%2FC3H5Br2Cl%2Fc4-1-3%285%292-6%2Fh3H%2C1-2H2,0,5,6,0,0,2.49469995498657,2,1.46000003814697,3.0550000667572,0,6.2235279083252,35.636100769043,3,0,11
InChI%3D1S%2FC11H8N2O5%2Fc12-11%2814%298%289-2-1-5-17-9%296-7-3-4-10%2818-7%2913%2815%2916%2Fh1-6H%2C%28H2%2C12%2C14%29,18,19,5,10,10,-0.164199993014336,4,1.89999997615814,2.62199997901917,0,0.0269616395235062,23.6989002227783,3,2,26
InChI%3D1S%2FC10H14N2O2%2Fc1-3-14-10-5-4-8%286-9%2810%2911%2912-7%282%2913%2Fh4-6H%2C3%2C11H2%2C1-2H3%2C%28H%2C12%2C13%29,11,14,4,6,6,-0.623000025749207,3,2.11999988555908,1.57799994945526,0,0.388128995895386,29.7325000762939,2,2,28
InChI%3D1S%2FC2H5N5O3%2Fc1-6%285-8%292%283%294-7%289%2910%2Fh1H3%2C%28H2%2C3%2C4%29,9,9,10,0,0,-0.0163000002503395,4,0.800000011920929,0.47299998998642,0,0.00026569000328891,25.9393005371094,0,2,15
InChI%3D1S%2FC6H12N3PS%2Fc11-10%287-1-2-7%2C8-3-4-8%299-5-6-9%2Fh1-6H2,5,13,2,0,0,-0.761099994182587,3,1.57000005245209,0.759999990463257,0,0.579273223876953,50.7221984863281,0,0,23
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%29,14,14,6,5,5,-0.309399992227554,4,1.24000000953674,2.30399990081787,0,0.0957283601164818,23.0333995819092,0,3,20
InChI%3D1S%2FC12H12N2%2Fc13-11-5-1-9%282-6-11%2910-3-7-12%2814%298-4-10%2Fh1-8H%2C13-14H2,14,15,0,12,12,-1.49979996681213,1,2.55999994277954,3.12199997901917,0,2.24940013885498,8.44419956207275,0,2,26
InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2,0,5,6,0,0,2.2056999206543,2,1.46000003814697,2.37899994850159,0,4.8651123046875,29.6690998077393,3,0,11
InChI%3D1S%2FC2H2Cl2O2%2Fc3-1%284%292%285%296%2Fh1H%2C%28H%2C5%2C6%29,3,5,6,0,0,0.965200006961823,1,1.24000000953674,0.570999979972839,0,0.931611061096191,22.619499206543,2,1,8
InChI%3D1S%2FC6H5NO2%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H,9,9,3,6,6,-0.0465999990701675,1,1.78999996185303,2.89400005340576,0,0.00217155995778739,2.88579988479614,0,0,14
InChI%3D1S%2FC7H3Cl5O%2Fc1-13-7-5%2811%293%289%292%288%294%2810%296%287%2912%2Fh1H3,7,13,2,6,6,3.66969990730286,1,1.57000005245209,2.83200001716614,0,13.4666976928711,35.393798828125,0,0,16
InChI%3D1S%2FC17H22N2%2Fc1-18%282%2916-9-5-14%286-10-16%2913-15-7-11-17%2812-8-15%2919%283%294%2Fh5-12H%2C13H2%2C1-4H3,7,20,3,12,12,0.891799986362457,4,3.10999989509583,4.94899988174438,0,0.795307219028473,33.1837997436523,0,0,41
InChI%3D1S%2FC13H19NO4S%2Fc1-3-9-14%2810-4-2%2919%2817%2C18%2912-7-5-11%286-8-12%2913%2815%2916%2Fh5-8H%2C3-4%2C9-10H2%2C1-2H3%2C%28H%2C15%2C16%29,13,19,10,6,6,-1.62650001049042,7,2.23000001907349,2.30800008773804,0,2.64550232887268,45.4058990478516,3,1,38
InChI%3D1S%2FC5H6O2%2Fc6-4-5-2-1-3-7-5%2Fh1-3%2C6H%2C4H2,5,7,2,5,5,-0.602800011634827,1,1.78999996185303,0.382999986410141,0,0.363367825746536,8.89589977264404,0,1,13
InChI%3D1S%2FC2H8N2%2Fc1-2-4-3%2Fh4H%2C2-3H2%2C1H3,2,3,4,0,0,-0.6632000207901,1,1.46000003814697,-0.367000013589859,0,0.439834237098694,18.5746002197266,2,,12
InChI%3D1S%2FC18H27NO3%2Fc1-14%282%298-6-4-5-7-9-18%2821%2919-13-15-10-11-16%2820%2917%2812-15%2922-3%2Fh6%2C8%2C10-12%2C14%2C20H%2C4-5%2C7%2C9%2C13H2%2C1-3H3%2C%28H%2C19%2C21%29,8,22,13,6,6,-0.0511999987065792,9,3,4.65100002288818,0,0.00262143998406827,62.2928009033203,9,2,49
InChI%3D1S%2FC20H12%2Fc1-2-7-17-15%284-1%2912-16-9-8-13-5-3-6-14-10-11-18%2817%2920%2816%2919%2813%2914%2Fh1-12H,20,24,0,20,24,0,0,3.66000008583069,10.2119998931885,1,0,0,0,0,32
InChI%3D1S%2FC4H10O%2Fc1-4%282%2C3%295%2Fh5H%2C1-3H3,0,4,5,0,0,0.573300004005432,0,1.78999996185303,0.800999999046326,0,0.328672885894775,22.0650997161865,3,1,15
InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H,6,6,0,6,6,0,0,2.11999988555908,4.06199979782104,0,0,0,0,0,12
InChI%3D1S%2FC15H13NO2%2Fc1-10%2817%2916%2818%2913-6-7-15-12%289-13%298-11-4-2-3-5-14%2811%2915%2Fh2-7%2C9%2C18H%2C8H2%2C1H3,16,20,5,12,12,-0.629000008106232,2,2.77999997138977,4.67600011825562,0,0.395640999078751,20.0314998626709,2,1,31
InChI%3D1S%2FC3H10N2%2Fc1-2-3-5-4%2Fh5H%2C2-4H2%2C1H3,2,4,5,0,0,-1.24100005626678,2,1.57000005245209,-0.00899999961256981,0,1.54008102416992,22.1065998077393,3,,15
InChI%3D1S%2FC3H9O4P%2Fc1-5-8%284%2C6-2%297-3%2Fh1-3H3,5,7,8,0,0,0.208199992775917,3,1.24000000953674,-0.689999997615814,0,0.0433472394943237,28.0988006591797,0,0,17
InChI%3D1S%2FC7H10N2OS%2Fc1-2-3-5-4-6%2810%299-7%2811%298-5%2Fh4H%2C2-3H2%2C1H3%2C%28H2%2C8%2C9%2C10%2C11%29,7,11,3,6,6,0.0696000009775162,2,1.78999996185303,1.85300004482269,0,0.00484415981918573,24.5182991027832,3,1,21
InChI%3D1S%2FC17H17ClO3%2Fc1-17%282%2C16%2819%2920%2921-11-12-3-5-13%286-4-12%2914-7-9-15%2818%2910-8-14%2Fh3-10H%2C11H2%2C1-2H3%2C%28H%2C19%2C20%29,12,22,8,12,12,0.95609998703003,5,2.89000010490417,5.21700000762939,1,0.914127230644226,32.9342002868652,3,1,38
InChI%3D1S%2FC2H5Br%2Fc1-2-3%2Fh2H2%2C1H3,0,2,3,0,0,1.24150002002716,0,1.57000005245209,1.73599994182587,0,1.54132223129272,18.589599609375,2,0,8
InChI%3D1S%2FC14H13N3O3%2Fc1-20-13-8-10%282-3-12%2813%2918%299-16-17-14%2819%2911-4-6-15-7-5-11%2Fh2-9%2C16H%2C1H3%2C%28H%2C17%2C19%29,19,21,5,6,6,-1.23749995231628,5,2.33999991416931,1.24699997901917,0,1.5314062833786,51.63330078125,0,,33
InChI%3D1S%2FC4H8Cl2O2%2Fc5-3-7-1-2-8-4-6%2Fh1-4H2,0,7,8,0,0,0.79339998960495,5,1.46000003814697,0.643999993801117,0,0.629483580589294,33.3348007202148,2,0,16
InChI%3D1S%2FC12H12N2S%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,7,16,0,12,12,-0.909200012683868,2,2.45000004768372,2.95499992370605,0,0.826644659042358,16.237699508667,0,2,27
InChI%3D1S%2FC15H11NO2%2Fc1-8-6-7-11-12%2813%288%2916%2915%2818%2910-5-3-2-4-9%2810%2914%2811%2917%2Fh2-7H%2C16H2%2C1H3,17,20,0,12,12,-0.635500013828278,0,2.77999997138977,2.73399996757507,0,0.403860241174698,20.4162006378174,0,1,29
InChI%3D1S%2FC6H11IO3%2Fc1-4%287%296-9-3-5%282-8%2910-6%2Fh4-6%2C8H%2C2-3H2%2C1H3,0,10,2,0,0,0.757499992847443,2,1.67999994754791,0.722000002861023,0,0.57380622625351,45.0453987121582,0,1,21
InChI%3D1S%2FC4H9NO2%2Fc1-4%282%293-7-5-6%2Fh4H%2C3H2%2C1-2H3,3,6,7,0,0,-1.46490001678467,3,1.57000005245209,1.92999994754791,0,2.14593195915222,25.7915000915527,3,0,16
InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H,0,12,0,0,0,4.16340017318726,0,1.46000003814697,3.83400011062622,0,17.3339004516602,54.0810012817383,0,0,18
InChI%3D1S%2FC23H36N2O2%2Fc1-21%282%2C3%2925-20%2827%2917-8-7-15-14-6-9-18-23%285%2C13-11-19%2826%2924-18%2916%2814%2910-12-22%2815%2C17%294%2Fh11%2C13-18H%2C6-10%2C12H2%2C1-5H3%2C%28H%2C24%2C26%29%28H%2C25%2C27%29,5,30,7,0,0,1.89079999923706,2,3.54999995231628,5.31099987030029,1,3.57512474060059,105.400901794434,0,2,63
InChI%3D1S%2FC12H10Cl2N2%2Fc13-9-5-7%281-3-11%289%2915%298-2-4-12%2816%2910%2814%296-8%2Fh1-6H%2C15-16H2,14,17,0,12,12,-0.0111999996006489,1,2.33999991416931,2.89199995994568,0,0.000125439997646026,19.6753997802734,0,2,26
InChI%3D1S%2FCH4N2O%2Fc2-3-1-4%2Fh1H%2C2H2%2C%28H%2C3%2C4%29,4,3,4,0,0,-0.745999991893768,0,1.24000000953674,-0.633000016212463,0,0.556515991687775,15.1128997802734,0,2,8
InChI%3D1S%2FC7H7NO2%2Fc1-6-4-2-3-5-7%286%298%289%2910%2Fh2-5H%2C1H3,9,10,3,6,6,0.595399975776672,1,1.89999997615814,3.00600004196167,0,0.354501157999039,8.38790035247803,0,0,17
InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2,2,2,3,0,0,1.00199997425079,0,1.57000005245209,1.54900002479553,0,1.00400400161743,14.7774000167847,0,0,6
InChI%3D1S%2FC9H6O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-6H,9,12,0,6,6,0.00609999988228083,0,2.23000001907349,2.45099997520447,0,3.72100003005471e-05,15.7062997817993,0,0,19
InChI%3D1S%2FC6H12N2%2Fc1-3-5-7-8-6-4-2%2Fh3-4%2C7-8H%2C1-2%2C5-6H2,2,7,8,0,0,0.597400009632111,5,1.89999997615814,1.81400001049042,0,0.356886774301529,36.3188018798828,3,,20
InChI%3D1S%2FC6H13NO%2Fc1-2-3-4-5-6%287%298%2Fh2-5H2%2C1H3%2C%28H2%2C7%2C8%29,3,7,8,0,0,-0.859499990940094,4,1.89999997615814,2.28600001335144,0,0.738740265369415,27.6590995788574,6,2,21
InChI%3D1S%2FC14H9NO2%2Fc15-8-5-6-11-12%287-8%2914%2817%2910-4-2-1-3-9%2810%2913%2811%2916%2Fh1-7H%2C15H2,17,19,0,12,12,-1.2775000333786,0,2.67000007629395,2.62199997901917,0,1.63200628757477,14.9140996932983,0,1,26
InChI%3D1S%2FC4H8O2%2Fc1-2-6-4-3-5-1%2Fh1-4H2,0,6,0,0,0,-0.261799991130829,0,1.67999994754791,-0.379999995231628,0,0.0685392394661903,22.0869998931885,0,0,14
InChI%3D1S%2FC2H8N2%2Fc1-4%282%293%2Fh3H2%2C1-2H3,2,3,4,0,0,-0.377700001001358,0,1.46000003814697,-1.38499999046326,0,0.142657294869423,19.5755004882812,0,1,12
InChI%3D1S%2FC11H10N4%2Fc1-15-9-5-4-8-7%283-2-6-13-8%2910%289%2914-11%2815%2912%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29,14,17,0,10,11,-0.36719998717308,0,2.23000001907349,2.85199999809265,0,0.134835839271545,16.8964004516602,0,2,25
InChI%3D1S%2FC6H4F4N2%2Fc7-1-2%288%295%2811%294%2810%296%2812%293%281%299%2Fh11-12H2,8,12,0,6,6,0.418999999761581,0,1.46000003814697,0.572000026702881,0,0.175560995936394,11.9342002868652,0,,16
InChI%3D1S%2FC10H10O3%2Fc1-2-8%2811%297-3-4-9-10%285-7%2913-6-12-9%2Fh2-5%2C8%2C11H%2C1%2C6H2,8,14,4,6,6,-0.105899997055531,2,2.23000001907349,1.53299999237061,0,0.011214810423553,23.5818004608154,3,1,23
InChI%3D1S%2FC14H10Cl4%2Fc15-11-5-1-9%282-6-11%2913%2814%2817%2918%2910-3-7-12%2816%298-4-10%2Fh1-8%2C13-14H,6,19,4,12,12,2.6538999080658,3,2.55999994277954,6.36700010299683,1,7.04318523406982,30.1860008239746,2,0,28
InChI%3D1S%2FC8H11N%2Fc1-6-3-4-7%282%298%289%295-6%2Fh3-5H%2C9H2%2C1-2H3,7,9,0,6,6,0.534099996089935,0,2.23000001907349,2.41199994087219,0,0.285262823104858,15.226300239563,0,,20
InChI%3D1S%2FC17H21N3%2Fc1-19%282%2915-9-5-13%286-10-15%2917%2818%2914-7-11-16%2812-8-14%2920%283%294%2Fh5-12%2C18H%2C1-4H3,16,21,3,12,12,0.330000013113022,4,3,4.0149998664856,0,0.108900003135204,35.1859016418457,0,,41
InChI%3D1S%2FC9H15Br6O4P%2Fc10-1-7%2813%294-17-20%2816%2C18-5-8%2814%292-11%2919-6-9%2815%293-12%2Fh7-9H%2C1-6H2,5,19,20,0,0,5.15250015258789,12,1.24000000953674,5.55000019073486,2,26.5482559204102,101.070198059082,3,0,35
InChI%3D1S%2FC6H10O2%2Fc1-2-3-7-4-6-5-8-6%2Fh2%2C6H%2C1%2C3-5H2,2,8,5,0,0,0.383700013160706,4,1.89999997615814,0.272000014781952,0,0.147225692868233,30.919900894165,3,0,18
InChI%3D1S%2FC43H58N4O12%2Fc1-21-12-11-13-22%282%2942%2855%2945-33-28%2820-44-47-17-15-46%289%2916-18-47%2937%2852%2930-31%2838%2833%2953%2936%2851%2926%286%2940-32%2830%2941%2854%2943%288%2C59-40%2957-19-14-29%2856-10%2923%283%2939%2858-27%287%2948%2925%285%2935%2850%2924%284%2934%2821%2949%2Fh11-14%2C19-21%2C23-25%2C29%2C34-35%2C39%2C44%2C49-51%2C53H%2C15-18H2%2C1-10H3%2C%28H%2C45%2C55%29,26,63,4,6,6,-1.09340000152588,5,4.42999982833862,1.76400005817413,2,1.1955235004425,198.279495239258,0,,117
InChI%3D1S%2FC12H13NO4S2%2Fc1-2-18%2814%2C15%2911-7-8-12%2819%2813%2C16%2917%2910-6-4-3-5-9%2810%2911%2Fh3-8H%2C2H2%2C1H3%2C%28H2%2C13%2C16%2C17%29,17,20,5,10,11,-1.00899994373322,3,2.00999999046326,1.83800005912781,0,1.01808094978333,29.7737007141113,2,1,32
InChI%3D1S%2FC15H13NO%2Fc1-10%2817%2916-13-6-7-15-12%289-13%298-11-4-2-3-5-14%2811%2915%2Fh2-7%2C9H%2C8H2%2C1H3%2C%28H%2C16%2C17%29,15,19,4,12,12,0.384499996900558,1,2.89000010490417,5.80700016021729,1,0.147840246558189,18.5018005371094,2,1,30
InChI%3D1S%2FC12H9NO%2Fc13-8-5-6-12-10%287-8%299-3-1-2-4-11%289%2914-12%2Fh1-7H%2C13H2,14,16,0,12,15,-0.903999984264374,0,2.55999994277954,3.03299999237061,0,0.817215979099274,5.84119987487793,0,1,23
InChI%3D1S%2FC10H12Cl2O2%2Fc11-7-13-5-9-1-2-10%284-3-9%296-14-8-12%2Fh1-4H%2C5-8H2,6,14,4,6,6,0.79339998960495,6,2.11999988555908,2.60800004005432,0,0.629483580589294,33.3348007202148,0,0,26
InChI%3D1S%2FC14H8O4%2Fc15-9-5-1-3-7-11%289%2914%2818%2912-8%2813%287%2917%294-2-6-10%2812%2916%2Fh1-6%2C15-16H,18,20,0,12,12,-1.4481999874115,0,2.55999994277954,1.30400002002716,0,2.09728312492371,15.8212003707886,0,2,26
InChI%3D1S%2FC3H8N2%2Fc1-2-3-5-4%2Fh2%2C5H%2C1%2C3-4H2,2,4,5,0,0,-0.29679998755455,2,1.57000005245209,-0.174999997019768,0,0.0880902409553528,23.4435005187988,3,,13
InChI%3D1S%2FC8H6N4O4%2Fc9-8-10-6%2811-16-8%293-1-5-2-4-7%2815-5%2912%2813%2914%2Fh1-4H%2C%28H2%2C9%2C10%2C11%29,10,17,2,5,5,0.0531000010669231,3,1.46000003814697,2.11700010299683,0,0.00281961006112397,31.3509006500244,2,3,24
InChI%3D1S%2FC4H8O%2Fc1-2-4-5-3-1%2Fh1-4H2,0,5,0,0,0,-0.706900000572205,0,1.78999996185303,0.526000022888184,0,0.499707609415054,16.86669921875,0,0,13
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%29,18,21,4,6,6,0.307099997997284,3,2.55999994277954,3.38599991798401,0,0.0943104103207588,53.9188995361328,2,,35
InChI%3D1S%2FC10Cl10O%2Fc11-2-1%2821%293%2812%296%2815%294%282%2C13%298%2817%295%282%2C14%297%283%2C16%299%286%2C18%2910%288%2C19%2920,2,25,0,0,0,4.4987998008728,0,1.35000002384186,3.7260000705719,0,20.239200592041,83.1997985839844,0,0,21
InChI%3D1S%2FC19H20N2O2%2Fc1-2-3-14-17-18%2822%2920%2815-10-6-4-7-11-15%2921%2819%2817%2923%2916-12-8-5-9-13-16%2Fh4-13%2C17H%2C2-3%2C14H2%2C1H3,18,25,4,12,12,-1.68340003490448,5,3.10999989509583,5.66400003433228,1,2.83383560180664,34.6782989501953,4,0,43
InChI%3D1S%2FC3H3N%2Fc1-2-3-4%2Fh2H%2C1H2,4,3,4,0,0,0.635500013828278,0,1.67999994754791,0.319999992847443,0,0.403860241174698,16.2707004547119,3,0,7
InChI%3D1S%2FC7H8N2O%2Fc8-9-7%2810%296-4-2-1-3-5-6%2Fh1-5H%2C8H2%2C%28H%2C9%2C10%29,10,10,4,6,6,-0.677100002765656,1,1.89999997615814,2.34899997711182,0,0.458464413881302,13.7604999542236,0,2,18
InChI%3D1S%2FC6H6O2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4%2C7-8H,8,8,0,6,6,-0.92059999704361,0,1.89999997615814,0.870000004768372,0,0.847504377365112,5.12919998168945,0,2,14
InChI%3D1S%2FC6H8N2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H%2C7-8H2,8,8,0,6,6,-1.49979996681213,0,1.89999997615814,0.736000001430511,0,2.24940013885498,8.44419956207275,0,,16
InChI%3D1S%2FC10H13NO2%2Fc1-3-13-10-6-4-9%285-7-10%2911-8%282%2912%2Fh4-7H%2C3H2%2C1-2H3%2C%28H%2C11%2C12%29,10,13,4,6,6,0.126900002360344,3,2.23000001907349,2.60800004005432,0,0.0161036103963852,25.5104007720947,2,1,26
InChI%3D1S%2FC8H18N2O%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh3-8H2%2C1-2H3,3,10,11,0,0,-1.13999998569489,7,2.00999999046326,2.42499995231628,0,1.29960000514984,41.5252990722656,4,0,29
InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2,0,3,4,0,0,1.51180005073547,1,1.46000003814697,1.74000000953674,0,2.28553915023804,20.6555995941162,2,0,8
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%29,7,18,0,6,10,-0.180899992585182,0,2.55999994277954,2.8659999370575,0,0.0327248089015484,27.3493003845215,0,,30
InChI%3D1S%2FC7H10N2%2Fc1-5-2-3-6%288%294-7%285%299%2Fh2-4H%2C8-9H2%2C1H3,8,9,0,6,6,-0.857800006866455,0,2.00999999046326,0.84799998998642,0,0.735820829868317,13.9462995529175,0,2,19
InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-4-10-14%2812%2911%286-3-9%295-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29,5,14,4,0,0,0.0841000005602837,5,1.46000003814697,0.834999978542328,0,0.0070728100836277,55.7243003845215,2,1,29
InChI%3D1S%2FC12H17NO3%2Fc1-3-16-11-6-4-10%285-7-11%2913-12%2815%298-9%282%2914%2Fh4-7%2C9%2C14H%2C3%2C8H2%2C1-2H3%2C%28H%2C13%2C15%29,10,16,7,6,6,-0.86080002784729,6,2.33999991416931,2.03099989891052,0,0.740976631641388,35.461498260498,4,,33
InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh1%2C3H2%2C2H3,2,4,5,0,0,1.90980005264282,1,1.78999996185303,1.24100005626678,0,3.64733600616455,24.7569999694824,3,0,12
InChI%3D1S%2FC2Cl2%2Fc3-1-2-4,2,3,4,0,0,0.971199989318848,0,1.46000003814697,1.98599994182587,0,0.94322943687439,20.1837997436523,2,0,4
InChI%3D1S%2FC2H4Br2%2Fc3-1-2-4%2Fh1-2H2,0,3,4,0,0,1.80079996585846,1,1.46000003814697,2.41599988937378,0,3.24288058280945,26.6226005554199,2,0,8
InChI%3D1S%2FC12H11N%2Fc13-12-8-6-11%287-9-12%2910-4-2-1-3-5-10%2Fh1-9H%2C13H2,13,14,0,12,12,-0.749899983406067,1,2.67000007629395,5.20699977874756,1,0.562350034713745,4.22209978103638,0,1,24
InChI%3D1S%2FC8H12%2Fc1-2-8-6-4-3-5-7-8%2Fh2-4%2C8H%2C1%2C5-7H2,2,8,2,0,0,1.44280004501343,1,2.33999991416931,3.60500001907349,0,2.08167195320129,37.0376014709473,2,0,20
InChI%3D1S%2FC2H6N2O%2Fc1-4%282%293-5%2Fh1-2H3,3,4,5,0,0,0.0908000022172928,1,1.35000002384186,-0.275000005960464,0,0.0082446401938796,20.050500869751,0,0,11
InChI%3D1S%2FC10H17Cl2NOS%2Fc1-7%282%2913%288%283%294%2910%2814%2915-6-9%2812%295-11%2Fh5%2C7-8H%2C6H2%2C1-4H3,3,14,15,0,0,1.72119998931885,6,2.00999999046326,3.44000005722046,0,2.96252942085266,70.0038986206055,3,0,32
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%2C2-3H3,4,28,4,0,0,1.32949995994568,2,3.54999995231628,3.98399996757507,0,1.76757025718689,93.5656967163086,2,0,53
InChI%3D1S%2FC8H6N4O4S%2Fc1-4%2813%299-8-11-10-7%2817-8%295-2-3-6%2816-5%2912%2814%2915%2Fh2-3H%2C1H3%2C%28H%2C9%2C11%2C13%29,16,18,4,10,10,0.318199992179871,3,1.35000002384186,1.28699994087219,0,0.101251237094402,26.1991996765137,2,2,23
InChI%3D1S%2FC13H14N2%2Fc14-12-5-1-10%282-6-12%299-11-3-7-13%2815%298-4-11%2Fh1-8H%2C9%2C14-15H2,7,16,0,12,12,-1.04359996318817,2,2.67000007629395,3.69099998474121,0,1.08910095691681,13.0452003479004,0,1,29
InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C8H%2C1H3,8,9,2,6,6,-0.512099981307983,1,2.00999999046326,1.38900005817413,0,0.262246400117874,9.8803997039795,0,1,17
InChI%3D1S%2FC3H6Cl2%2Fc1-3%285%292-4%2Fh3H%2C2H2%2C1H3,0,4,5,0,0,1.50109994411469,1,1.57000005245209,2.03699994087219,0,2.25330114364624,25.2399997711182,3,0,11
InChI%3D1S%2FC20H18ClNO6%2Fc1-10-7-12-14%2821%299-13%2817%2823%2916%2812%2920%2827%2928-10%2918%2824%2922-15%2819%2825%2926%298-11-5-3-2-4-6-11%2Fh2-6%2C9-10%2C15%2C23H%2C7-8H2%2C1H3%2C%28H%2C22%2C24%29%28H%2C25%2C26%29,13,30,8,12,12,-0.159899994730949,5,2.77999997138977,4.59299993515015,1,0.0255680102854967,52.5177993774414,3,3,46
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%2C1-2H3,17,20,2,12,12,-0.385699987411499,4,2.89000010490417,4.19600009918213,0,0.148764491081238,29.1723003387451,2,1,36
InChI%3D1S%2FC14H8Cl4%2Fc15-11-5-1-9%282-6-11%2913%2814%2817%2918%2910-3-7-12%2816%298-4-10%2Fh1-8H,14,19,4,12,12,2.74130010604858,2,2.55999994277954,6.5149998664856,1,7.51472568511963,30.6431007385254,2,0,26
InChI%3D1S%2FC6H12Cl2O%2Fc1-5%283-7%299-6%282%294-8%2Fh5-6H%2C3-4H2%2C1-2H3,0,8,9,0,0,1.35950005054474,4,1.78999996185303,2.47000002861023,0,1.84824025630951,40.8679008483887,3,0,21
InChI%3D1S%2FC10H10N2%2Fc11-9-5-1-3-7-8%289%294-2-6-10%287%2912%2Fh1-6H%2C11-12H2,12,13,0,10,11,-1.49979996681213,0,2.33999991416931,1.76800000667572,0,2.24940013885498,8.44419956207275,0,2,22
InChI%3D1S%2FC8H8O%2Fc1-2-4-7%285-3-1%298-6-9-8%2Fh1-5%2C8H%2C6H2,6,10,0,6,6,-0.192900002002716,1,2.23000001907349,2.75500011444092,0,0.0372104085981846,9.72920036315918,0,0,17
InChI%3D1S%2FC32H24N6O16S4%2Fc33-19-11-17%2855%2843%2C44%2945%295-15-9-25%2857%2849%2C50%2951%2929%2831%2841%2927%2815%2919%2937-35-21-3-1-13%287-23%2821%2939%2914-2-4-22%2824%2840%298-14%2936-38-30-26%2858%2852%2C53%2954%2910-16-6-18%2856%2846%2C47%2948%2912-20%2834%2928%2816%2932%2830%2942%2Fh1-12%2C35-36%2C39-40H%2C33-34H2%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29%28H%2C49%2C50%2C51%29%28H%2C52%2C53%2C54%29,58,63,3,24,24,-6.12400007247925,9,2.11999988555908,0.0160000007599592,2,37.5033760070801,107.041801452637,0,,82
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%2C1-3H3,6,21,8,12,12,0.241500005125999,6,3,4.49900007247925,0,0.0583222508430481,33.3703994750977,2,0,42
InChI%3D1S%2FC8H12N2%2Fc9-10-7-6-8-4-2-1-3-5-8%2Fh1-5%2C10H%2C6-7%2C9H2,6,10,4,6,6,-0.748700022697449,3,2.11999988555908,2.89800000190735,0,0.560551702976227,17.7481002807617,2,,22
InChI%3D1S%2FC14H19NO2%2Fc1-17-14%2816%2913%2811-7-3-2-4-8-11%2912-9-5-6-10-15-12%2Fh2-4%2C7-8%2C12-13%2C15H%2C5-6%2C9-10H2%2C1H3,6,18,5,6,6,-1.45669996738434,4,2.67000007629395,4.21500015258789,0,2.12197494506836,35.7549018859863,2,1,36
InChI%3D1S%2FC5H8O2%2Fc1-3-5%286%297-4-2%2Fh3H%2C1%2C4H2%2C2H3,5,6,7,0,0,0.862399995326996,3,1.78999996185303,0.955999970436096,0,0.743733763694763,26.3542995452881,3,0,15
InChI%3D1S%2FC12H11ClN2O5S%2Fc13-9-5-10%2815-6-7-2-1-3-20-7%298%2812%2816%2917%294-11%289%2921%2814%2C18%2919%2Fh1-5%2C15H%2C6H2%2C%28H%2C16%2C17%29%28H2%2C14%2C18%2C19%29,14,22,3,11,11,-0.994899988174438,5,1.78999996185303,0.88400000333786,0,0.989826023578644,33.6077995300293,0,3,32
InChI%3D1S%2FC9H10N4S%2Fc10-7-3-1-6%282-4-7%298-5-14-9%2812-8%2913-11%2Fh1-5H%2C10-11H2%2C%28H%2C12%2C13%29,14,15,2,11,11,-1.17519998550415,2,1.89999997615814,1.28799998760223,0,1.38109505176544,20.5997009277344,0,4,24
InChI%3D1S%2FC2H5NS%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29,2,3,4,0,0,0.555599987506866,0,1.46000003814697,0.742999970912933,0,0.30869135260582,20.3145999908447,2,1,9
InChI%3D1S%2FC2H6N2O%2Fc1-2%285%294-3%2Fh3H2%2C1H3%2C%28H%2C4%2C5%29,4,4,5,0,0,-0.667200028896332,0,1.35000002384186,-0.397000014781952,0,0.445155829191208,19.1849002838135,2,2,11
InChI%3D1S%2FC7H9NO%2Fc1-9-7-5-3-2-4-6%287%298%2Fh2-5H%2C8H2%2C1H3,8,9,2,6,6,-0.801699995994568,1,2.00999999046326,1.32200002670288,0,0.642722904682159,11.5378999710083,0,,18
InChI%3D1S%2FC16H12N2O2%2Fc19-15-13-7-3-1-5-11%2813%299-17-16%2820%2914-8-4-2-6-12%2814%2910-18%2815%2917%2Fh1-8H%2C9-10H2,18,23,0,12,12,-1.24639999866486,0,2.77999997138977,3.40400004386902,0,1.55351293087006,24.3073997497559,0,0,32
InChI%3D1S%2FC8H9N3O2%2Fc1-6%2812%2910-11-8%2813%297-2-4-9-5-3-7%2Fh2-5H%2C1H3%2C%28H%2C10%2C12%29%28H%2C11%2C13%29,12,13,7,6,6,-0.706499993801117,3,1.78999996185303,1.19599997997284,0,0.49914225935936,21.3423004150391,2,2,22
InChI%3D1S%2FC3H6ClNO%2Fc1-5%282%293%284%296%2Fh1-2H3,3,5,6,0,0,0.573800027370453,1,1.46000003814697,0.247999995946884,0,0.329246431589127,24.9722995758057,0,0,12
InChI%3D1S%2FC8H14O2%2Fc1-4-5-10-8%289%296-7%282%293%2Fh4%2C7H%2C1%2C5-6H2%2C2-3H3,3,9,10,0,0,1.23570001125336,5,2.11999988555908,2.18600010871887,0,1.52695453166962,39.9681015014648,4,0,24
InChI%3D1S%2FC16H22N4O3%2Fc1-3-6-13-14%289-8-12%2811%282%2921%2916%2813%2922%2923-10-5-4-7-15-17-19-20-18-15%2Fh8-9%2C22H%2C3-7%2C10H2%2C1-2H3%2C%28H%2C17%2C18%2C19%2C20%29,10,24,5,6,11,-1.89499998092651,9,2.45000004768372,3.54399991035461,0,3.59102511405945,42.0768013000488,4,5,44
InChI%3D1S%2FC12H12N2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10%2C13-14H,14,15,2,12,12,-0.840799987316132,3,2.55999994277954,5.67000007629395,1,0.706944644451141,6.59999990463257,0,2,26
InChI%3D1S%2FC6H13NO2S%2Fc1-2-10-4-3-5%287%296%288%299%2Fh5H%2C2-4%2C7H2%2C1H3%2C%28H%2C8%2C9%29,3,9,10,0,0,-0.479900002479553,5,1.67999994754791,-1.49500000476837,0,0.230304002761841,40.1720008850098,4,2,23
InChI%3D1S%2FC11H7N3O3%2Fc15-14%2816%2911-5-4-9%2817-11%298-7-12-10-3-1-2-6-13%288%2910%2Fh1-7H,17,19,3,14,15,-0.1875,2,2.00999999046326,2.58500003814697,0,0.03515625,7.40290021896362,0,0,24
InChI%3D1S%2FCH6N2%2Fc1-3-2%2Fh3H%2C2H2%2C1H3,2,2,3,0,0,-0.913600027561188,0,1.35000002384186,-0.790000021457672,0,0.834664940834045,14.2807998657227,0,2,9
InChI%3D1S%2FC22H14%2Fc1-3-7-19-15%285-1%299-11-17-14-22-18%2813-21%2817%2919%2912-10-16-6-2-4-8-20%2816%2922%2Fh1-14H,22,26,0,22,26,0,0,3.88000011444092,11.5659999847412,1,0,0,0,0,36
InChI%3D1S%2FC9H13N%2Fc1-6-4-8%283%299%2810%295-7%286%292%2Fh4-5H%2C10H2%2C1-3H3,7,10,0,6,6,1.17610001564026,0,2.33999991416931,2.73499989509583,0,1.38321125507355,20.7283992767334,0,1,23
InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2,0,2,3,0,0,1.07290005683899,0,1.35000002384186,1.51900005340576,0,1.15111446380615,16.4382991790771,0,0,5
InChI%3D1S%2FC6H8N2O%2Fc7-4-1-2-6%289%295%288%293-4%2Fh1-3%2C9H%2C7-8H2,9,9,0,6,6,-1.96010005474091,0,1.78999996185303,0.202000007033348,0,3.84199190139771,11.0087995529175,0,,17
InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2,2,4,5,0,0,1.51820003986359,1,1.57000005245209,2.09899997711182,0,2.30493116378784,25.2765998840332,3,0,9
InChI%3D1S%2FC27H44O6%2Fc1-15%2820%2828%298-9-24%282%2C3%2932%2916-7-11-27%2833%2918-12-21%2829%2919-13-22%2830%2923%2831%2914-25%2819%2C4%2917%2818%296-10-26%2816%2C27%295%2Fh12%2C15-17%2C19-20%2C22-23%2C28%2C30-33H%2C6-11%2C13-14H2%2C1-5H3,4,36,10,0,0,-0.759100019931793,5,3.76999998092651,1.95899999141693,0,0.57623279094696,124.11319732666,7,5,77
InChI%3D1S%2FC6H11NO2%2Fc1-3-5-6%284-2%297%288%299%2Fh5H%2C3-4H2%2C1-2H3,5,8,9,0,0,-0.499000012874603,3,1.78999996185303,2.0699999332428,0,0.249000996351242,30.1527004241943,6,0,20
InChI%3D1S%2FC2H5N%2Fc1-2-3-1%2Fh3H%2C1-2H2,0,3,0,0,0,-0.397199988365173,0,1.57000005245209,-0.386000007390976,0,0.157767847180367,12.7243995666504,0,1,8
InChI%3D1S%2FC2H2Cl4%2Fc3-1%284%292%285%296%2Fh1-2H,0,5,6,0,0,2.39919996261597,1,1.24000000953674,2.57599997520447,0,5.75616073608398,30.7637996673584,2,0,8
InChI%3D1S%2FC3H4O2%2Fc4-2-1-3-5%2Fh1-4H,5,4,5,0,0,-0.468600004911423,1,1.57000005245209,-0.0439999997615814,0,0.219585955142975,18.0569000244141,3,,9
InChI%3D1S%2FC10H9N%2Fc11-10-6-5-8-3-1-2-4-9%288%297-10%2Fh1-7H%2C11H2,11,12,0,10,11,-0.749899983406067,0,2.45000004768372,3.8529999256134,0,0.562350034713745,4.22209978103638,0,1,20
InChI%3D1S%2FC17H20N2O%2Fc1-18%282%2915-9-5-13%286-10-15%2917%2820%2914-7-11-16%2812-8-14%2919%283%294%2Fh5-12H%2C1-4H3,16,21,3,12,12,0.171800002455711,4,3,3.60899996757507,0,0.0295152403414249,33.9287986755371,0,0,40
InChI%3D1S%2FC7H9N%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5H%2C8H2%2C1H3,7,8,0,6,6,-0.107900001108646,0,2.11999988555908,2.08899998664856,0,0.0116424104198813,9.72420024871826,0,,17
InChI%3D1S%2FC2H5Cl%2Fc1-2-3%2Fh2H2%2C1H3,0,2,3,0,0,1.09700000286102,0,1.57000005245209,1.39800000190735,0,1.20340895652771,15.6061000823975,2,0,8
InChI%3D1S%2FC6H6Cl2N2%2Fc7-4-1-3%289%292-5%288%296%284%2910%2Fh1-2H%2C9-10H2,8,10,0,6,6,-0.0111999996006489,0,1.67999994754791,0.927999973297119,0,0.000125439997646026,19.6753997802734,0,2,16
InChI%3D1S%2FC12H27O4P%2Fc1-4-7-10-14-17%2813%2C15-11-8-5-2%2916-12-9-6-3%2Fh4-12H2%2C1-3H3,5,16,17,0,0,-1.63800001144409,12,2.23000001907349,3.35999989509583,1,2.68304395675659,60.3110008239746,4,0,44
InChI%3D1S%2FC7H8N2O2%2Fc8-9-6-3-1-5%282-4-6%297%2810%2911%2Fh1-4%2C9H%2C8H2%2C%28H%2C10%2C11%29,11,11,2,6,6,-1.25569999217987,2,1.78999996185303,0.778999984264374,0,1.57678246498108,15.8034000396729,0,,19
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%29,28,30,4,12,12,-1.54620003700256,6,2.33999991416931,3.03299999237061,0,2.39073443412781,52.8017997741699,0,,42
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%29,27,31,3,12,12,-0.567799985408783,4,2.23000001907349,2.6340000629425,0,0.322396844625473,57.7383995056152,0,,45
InChI%3D1S%2FC12H19N3O%2Fc1-9%282%2915-12%2816%2911-6-4-10%285-7-11%298-14-13-3%2Fh4-7%2C9%2C13-14H%2C8H2%2C1-3H3%2C%28H%2C15%2C16%29,9,16,6,6,6,-1.30949997901917,6,2.33999991416931,2.76900005340576,0,1.71479022502899,39.6456985473633,0,3,35
InChI%3D1S%2FC6H11N2O4PS3%2Fc1-10-5-7-8%286%289%2916-5%294-15-13%2814%2C11-2%2912-3%2Fh4H2%2C1-3H3,4,16,8,0,0,2.28909993171692,6,1.01999998092651,1.46399998664856,0,5.2399787902832,70.3099975585938,0,1,29
InChI%3D1S%2FC2H5BrO%2Fc3-1-2-4%2Fh4H%2C1-2H2,0,3,4,0,0,0.451700001955032,1,1.46000003814697,0.603999972343445,0,0.204032883048058,20.5881004333496,2,1,9
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%29,16,18,2,5,5,-1.28090000152588,3,1.35000002384186,0.880999982357025,0,1.64070475101471,32.3368988037109,0,1,23
InChI%3D1S%2FC6H7N3O2%2Fc7-4-1-2-5%288%296%283-4%299%2810%2911%2Fh1-3H%2C7-8H2,11,11,2,6,6,-1.54639995098114,1,1.57000005245209,1.48099994659424,0,2.391352891922,11.3299999237061,0,2,18
InChI%3D1S%2FC2H4O%2Fc1-2-3-1%2Fh1-2H2,0,3,0,0,0,-0.130899995565414,0,1.57000005245209,-0.189999997615814,0,0.0171348098665476,11.0434999465942,0,0,7
InChI%3D1S%2FC10H9Cl4O4P%2Fc1-16-19%2815%2C17-2%2918-10%285-11%296-3-8%2813%299%2814%294-7%286%2912%2Fh3-5H%2C1-2H3,13,19,10,6,6,2.65429997444153,5,1.57000005245209,3.46000003814697,0,7.0453085899353,53.5253982543945,2,0,28
InChI%3D1S%2FC2HCl5%2Fc3-1%284%292%285%2C6%297%2Fh1H,0,6,7,0,0,2.88779997825623,1,1.12999999523163,3.22900009155273,0,8.33938884735107,36.3208999633789,2,0,8
InChI%3D1S%2FC30H22O12%2Fc1-5-3-7%2831%299-11%2819%285%2933%2927%2841%2929-13-14-24%2838%2917%2829%2926%2840%2916-22%2836%2910-8%2832%294-6%282%2920%2834%2912%2810%2928%2842%2930%2814%2C16%2918%2823%2813%2937%2925%2839%2915%2829%2921%289%2935%2Fh3-4%2C13-14%2C17-18%2C23-24%2C31-38H%2C1-2H3,15,49,0,12,12,-4.31319999694824,0,3.44000005722046,-3.10199999809265,1,18.6036949157715,95.6095962524414,0,,64
InChI%3D1S%2FC12H11Cl2NO%2Fc1-4-12%282%2C3%2915-11%2816%298-5-9%2813%297-10%2814%296-8%2Fh1%2C5-7H%2C2-3H3%2C%28H%2C15%2C16%29,9,16,8,6,6,2.76600003242493,2,2.33999991416931,3.50300002098083,0,7.65075588226318,41.2397994995117,4,1,27
InChI%3D1S%2FC8H10N2O%2Fc1-6-2-4-7%285-3-6%2910-8%289%2911%2Fh2-5H%2C1H3%2C%28H3%2C9%2C10%2C11%29,10,11,4,6,6,0.567499995231628,2,2.00999999046326,3.09400010108948,0,0.322056263685226,16.4796009063721,0,3,21
InChI%3D1S%2FC4H4N2O2%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29,8,8,0,6,6,-0.92059999704361,0,1.46000003814697,-0.462000012397766,0,0.847504377365112,5.12919998168945,0,2,12
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29,10,11,4,6,6,-0.532000005245209,1,2.00999999046326,1.66600000858307,0,0.28302401304245,16.4654006958008,0,2,20
InChI%3D1S%2FC13H17N3O4S%2Fc1-10-12%2814%282%299-21%2818%2C19%2920%2913%2817%2916%2815%2810%293%2911-7-5-4-6-8-11%2Fh4-8H%2C9H2%2C1-3H3%2C%28H%2C18%2C19%2C20%29,10,22,7,6,6,-1.09599995613098,4,2.00999999046326,0.335999995470047,0,1.20121598243713,52.4035987854004,0,,40
InChI%3D1S%2FC7H8ClN%2Fc1-5-2-3-6%288%294-7%285%299%2Fh2-4H%2C9H2%2C1H3,7,9,0,6,6,0.636399984359741,0,2.00999999046326,1.97399997711182,0,0.405004948377609,15.3397998809814,0,1,17
InChI%3D1S%2FC8H5N3O4S%2Fc12-4-9-8-10-5%283-16-8%296-1-2-7%2815-6%2911%2813%2914%2Fh1-4H%2C%28H%2C9%2C10%2C12%29,16,17,3,10,10,0.239399999380112,3,1.46000003814697,1.51699995994568,0,0.0573123581707478,22.1271991729736,0,1,21
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%2C1-5H3,7,48,8,6,6,3.50699996948242,14,5.19999980926514,14.4919996261597,2,12.2990493774414,156.428894042969,7,0,103
InChI%3D1S%2FC9H4Cl6O4%2Fc10-3-4%2811%298%2813%292%286%2818%2919%291%285%2816%2917%297%283%2C12%299%288%2C14%2915%2Fh1-2H%2C%28H%2C16%2C17%29%28H%2C18%2C19%29,3,20,3,0,0,2.4423999786377,2,1.35000002384186,1.2849999666214,0,5.96531772613525,71.7750015258789,0,2,23
InChI%3D1S%2FC6H7N3O%2Fc7-9-6%2810%295-1-3-8-4-2-5%2Fh1-4H%2C7H2%2C%28H%2C9%2C10%29,10,10,4,6,6,-1.230299949646,2,1.67999994754791,-0.570999979972839,0,1.51363813877106,12.7256002426147,0,2,17
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%2C1-2H3,16,19,2,12,12,-1.60339999198914,3,2.55999994277954,1.81200003623962,0,2.57089161872864,23.0757999420166,0,2,34
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%29,8,17,2,6,6,-1.50999999046326,2,2.11999988555908,3.03500008583069,0,2.28010010719299,26.8635005950928,0,3,31
InChI%3D1S%2FC8H10N2O%2Fc1-7%2811%299-10-8-5-3-2-4-6-8%2Fh2-6%2C10H%2C1H3%2C%28H%2C9%2C11%29,10,11,5,6,6,-0.49210000038147,2,2.00999999046326,3.51999998092651,0,0.24216240644455,17.2007999420166,2,2,21
InChI%3D1S%2FC6H3Cl3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,7,10,0,6,6,1.77260005474091,0,1.67999994754791,2.12100005149841,0,3.14211082458496,19.4113998413086,0,1,13
InChI%3D1S%2FC4H8Cl2O%2Fc5-1-3-7-4-2-6%2Fh1-4H2,0,6,7,0,0,1.38090002536774,4,1.57000005245209,1.54999995231628,0,1.90688478946686,31.6991004943848,2,0,15
InChI%3D1S%2FC6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299,6,12,0,6,6,4.4657998085022,0,1.46000003814697,3.37199997901917,0,19.9433689117432,33.6935997009277,0,0,12
InChI%3D1S%2FC20H26O2%2Fc1-3-20%2822%2911-9-18-17-6-4-13-12-14%2821%295-7-15%2813%2916%2817%298-10-19%2818%2C20%292%2Fh1%2C16-18%2C22H%2C4-12H2%2C2H3,2,25,2,0,0,1.00919997692108,0,3.44000005722046,2.48000001907349,0,1.01848459243774,85.42919921875,2,1,48
InChI%3D1S%2FC3H5NO2%2Fc1-2-6-3%284%295%2Fh2H%2C1H2%2C%28H2%2C4%2C5%29,6,5,6,0,0,0.655700027942657,2,1.46000003814697,0.949999988079071,0,0.429942488670349,19.2166004180908,0,2,11
InChI%3D1S%2FC16H19ClN4O2S%2Fc1-10-4-3-5-12%2811%2810%292%2919-14-8-13%2817%2920-16%2821-14%2924-9-15%2823%2918-6-7-22%2Fh3-5%2C8%2C22H%2C6-7%2C9H2%2C1-2H3%2C%28H%2C18%2C23%29%28H%2C19%2C20%2C21%29,9,25,8,6,6,1.45200002193451,6,2.33999991416931,2.47300004959106,0,2.10830402374268,72.8536987304688,2,4,47
InChI%3D1S%2FC7H7Cl%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H%2C6H2,6,8,2,6,6,0.755900025367737,1,2.11999988555908,3.88299989700317,0,0.571384787559509,10.3277997970581,0,0,15
InChI%3D1S%2FC11H14O2%2Fc1-4-5-9-6-7-10%2812-2%2911%288-9%2913-3%2Fh4%2C6-8H%2C1%2C5H2%2C2-3H3,8,13,3,6,6,0.925100028514862,4,2.45000004768372,3.00300002098083,0,0.855809986591339,29.5333995819092,3,0,27
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%2B1,6,18,4,6,6,-0.820900022983551,4,2.00999999046326,1.87100005149841,0,0.673876821994781,33.0758018493652,2,,33
InChI%3D1S%2FC10H9Cl4NO2S%2Fc11-9%2812%2910%2813%2C14%2918-15-7%2816%295-3-1-2-4-6%285%298%2815%2917%2Fh1-2%2C5-6%2C9H%2C3-4H2,5,19,7,0,0,2.72370004653931,3,1.67999994754791,2.76999998092651,0,7.41854190826416,77.7978973388672,2,0,27
InChI%3D1S%2FC6H12N2%2Fc1-3-5-8%287%296-4-2%2Fh3-4H%2C1-2%2C5-7H2,2,7,8,0,0,0.85589998960495,4,1.89999997615814,-0.155000001192093,0,0.732564806938171,37.9009017944336,3,1,20
InChI%3D1S%2FC26H34O6%2Fc1-25%282%2C23%2827%2928%2914-8-16-31-20-12-13-22%2821%2818-20%2919-10-6-5-7-11-19%2932-17-9-15-26%283%2C4%2924%2829%2930%2Fh5-7%2C10-13%2C18H%2C8-9%2C14-17H2%2C1-4H3%2C%28H%2C27%2C28%29%28H%2C29%2C30%29,14,33,10,12,12,0.612600028514862,13,3.66000008583069,6.42700004577637,2,0.375278770923615,69.9046020507812,5,2,66
InChI%3D1S%2FC8H13NO2%2Fc1-9-5-3-4-7%286-9%298%2810%2911-2%2Fh4H%2C3%2C5-6H2%2C1-2H3,5,11,4,0,0,0.134100005030632,2,2.00999999046326,0.172000005841255,0,0.0179828107357025,42.0176010131836,0,0,24
InChI%3D1S%2FC12H11N%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9H%2C13H2,13,14,0,12,12,-0.749899983406067,1,2.67000007629395,4.99599981307983,0,0.562350034713745,4.22209978103638,0,,24
InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh3H%2C1-2H3,2,4,5,0,0,1.8507000207901,0,1.78999996185303,1.71300005912781,0,3.42509055137634,24.7329006195068,3,0,12
InChI%3D1S%2FC4H8N4O2%2Fc9-5-7-1-2-8%286-10%294-3-7%2Fh1-4H2,3,10,2,0,0,-0.181199997663498,2,1.24000000953674,-0.512000024318695,0,0.0328334383666515,36.1629981994629,0,0,18
InChI%3D1S%2FC8H11N%2Fc1-6-3-4-8%289%297%282%295-6%2Fh3-5H%2C9H2%2C1-2H3,7,9,0,6,6,0.534099996089935,0,2.23000001907349,2.41199994087219,0,0.285262823104858,15.226300239563,0,,20
InChI%3D1S%2FC2H4N4%2Fc3-2-4-1-5-6-2%2Fh1H%2C%28H3%2C3%2C4%2C5%2C6%29,5,6,0,0,0,-0.884400010108948,0,1.24000000953674,0.347000002861023,0,0.782163381576538,18.7336006164551,0,4,12
InChI%3D1S%2FC12H9NO2%2Fc14-13%2815%2911-7-6-9-5-4-8-2-1-3-10%2811%2912%288%299%2Fh1-3%2C6-7H%2C4-5H2,13,17,3,10,11,0.0781999975442886,1,2.45000004768372,4.86499977111816,0,0.00611524004489183,12.6166000366211,0,0,24
InChI%3D1S%2FC10H12O%2Fc1-3-4-9-5-7-10%2811-2%298-6-9%2Fh3%2C5-8H%2C1%2C4H2%2C2H3,7,11,3,6,6,0.976899981498718,3,2.45000004768372,3.65799999237061,0,0.95433360338211,22.2175998687744,3,0,23
InChI%3D1S%2FC42H50Cl4N2O4%2Fc1-42-17-16-36-35-13-11-34%2851-40%2849%2926-29-2-7-32%288-3-29%2947%2822-18-43%2923-19-44%2928-31%2835%296-12-37%2836%2938%2842%2914-15-39%2842%2952-41%2850%2927-30-4-9-33%2810-5-30%2948%2824-20-45%2925-21-46%2Fh2-5%2C7-11%2C13%2C28%2C36-39H%2C6%2C12%2C14-27H2%2C1H3,9,57,7,18,18,3.43449997901917,18,4.98000001907349,12.5939998626709,2,11.7957906723022,135.104705810547,2,0,102
InChI%3D1S%2FC4H7Cl2O4P%2Fc1-8-11%287%2C9-2%2910-3-4%285%296%2Fh3H%2C1-2H3,7,10,11,0,0,1.03320002555847,4,1.12999999523163,1.20700001716614,0,1.06750226020813,42.2757987976074,2,0,18
InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H,0,3,4,0,0,1.6172000169754,0,1.24000000953674,2.07399988174438,0,2.6153359413147,21.364200592041,0,0,5
InChI%3D1S%2FC12H15N3O6%2Fc1-6-9%2813%2816%2917%297%282%2911%2815%2820%2921%298%2812%283%2C4%295%2910%286%2914%2818%2919%2Fh1-5H3,15,21,3,6,6,2.70040011405945,4,1.78999996185303,4.47599983215332,0,7.29216003417969,38.7883987426758,0,0,36
InChI%3D1S%2FC3H8N2O%2Fc1-2-5%284%293-6%2Fh3H%2C2%2C4H2%2C1H3,4,5,6,0,0,-0.94650000333786,2,1.46000003814697,-1.20700001716614,0,0.895862221717834,24.0685005187988,2,1,14
InChI%3D1S%2FC6H4ClNO2%2Fc7-5-3-1-2-4-6%285%298%289%2910%2Fh1-4H,9,10,3,6,6,0.697700023651123,1,1.67999994754791,2.77900004386902,0,0.486785292625427,8.50139999389648,0,0,14
InChI%3D1S%2FC9H4F3N3O4S%2Fc10-9%2811%2C12%297%2816%2914-8-13-4%283-20-8%295-1-2-6%2819-5%2915%2817%2918%2Fh1-3H%2C%28H%2C13%2C14%2C16%29,16,21,7,10,10,1.40639996528625,4,1.24000000953674,2.45199990272522,0,1.97796094417572,27.209400177002,2,1,24
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%2C1H3,14,18,2,12,15,-0.38400000333786,1,2.77999997138977,3.49900007247925,0,0.147456005215645,17.1105995178223,2,,30
InChI%3D1S%2FC2H8N2O%2Fc3-4-1-2-5%2Fh4-5H%2C1-3H2,2,4,5,0,0,-1.45299994945526,2,1.35000002384186,-1.49899995326996,0,2.11120891571045,20.5730991363525,2,3,13
InChI%3D1S%2FC7H14N2O%2Fc1-3-4-5-6-8-9%282%297-10%2Fh6-7H%2C3-5H2%2C1-2H3,5,9,10,0,0,-1.12549996376038,5,1.89999997615814,1.94200003147125,0,1.26675021648407,38.3126983642578,5,0,24
InChI%3D1S%2FC14H14ClN3O2S%2Fc1-8-4-3-5-10%289%288%292%2916-12-6-11%2815%2917-14%2818-12%2921-7-13%2819%2920%2Fh3-6H%2C7H2%2C1-2H3%2C%28H%2C19%2C20%29%28H%2C16%2C17%2C18%29,9,22,5,6,6,1.95510005950928,4,2.23000001907349,2.97399997711182,0,3.82241606712341,59.7943992614746,2,3,39
InChI%3D1S%2FC5H9NO%2Fc1-6-4-2-3-5%286%297%2Fh2-4H2%2C1H3,3,7,0,0,0,-0.774100005626678,0,1.78999996185303,-0.170000001788139,0,0.599230825901031,25.3111991882324,0,0,16
InChI%3D1S%2FC10H5Cl7%2Fc11-4-2-1-3-5%284%299%2815%297%2813%296%2812%298%283%2C14%2910%289%2C16%2917%2Fh1-5H,2,19,0,0,0,4.0327000617981,0,1.78999996185303,3.54999995231628,0,16.2626686096191,75.8010025024414,0,0,22
InChI%3D1S%2FC6H4ClNO2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H,9,10,2,6,6,0.697700023651123,1,1.67999994754791,2.77900004386902,0,0.486785292625427,8.50139999389648,0,0,14
InChI%3D1S%2FC3H6N2S%2Fc6-3-4-1-2-5-3%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29,3,6,0,0,0,0.351799994707108,0,1.46000003814697,0.122000001370907,0,0.123763240873814,26.6289005279541,0,1,12
InChI%3D1S%2FC15H11ClN2O2%2Fc16-10-6-7-12-11%288-10%2913%289-4-2-1-3-5-9%2918-15%2820%2914%2819%2917-12%2Fh1-8%2C15%2C20H%2C%28H%2C17%2C19%29,17,22,0,12,12,0.234400004148483,1,2.55999994277954,4.36499977111816,0,0.054943360388279,26.4554996490479,0,2,31
InChI%3D1S%2FC18H28O3S%2Fc1-3-4-5-6-7-8-11-22%2819%2915%282%2912-16-9-10-17-18%2813-16%2921-14-20-17%2Fh9-10%2C13%2C15H%2C3-8%2C11-12%2C14H2%2C1-2H3,8,23,13,6,6,-2.42569994926453,10,3,4.74700021743774,0,5.88402032852173,58.8797988891602,8,0,50
InChI%3D1S%2FC7H9N%2Fc1-6-3-2-4-7%288%295-6%2Fh2-5H%2C8H2%2C1H3,7,8,0,6,6,-0.107900001108646,0,2.11999988555908,2.29999995231628,0,0.0116424104198813,9.72420024871826,0,,17
InChI%3D1S%2FC2H4N2O2%2Fc5-1-3-4-2-6%2Fh1-2H%2C%28H%2C3%2C5%29%28H%2C4%2C6%29,6,5,6,0,0,-0.300999999046326,1,1.24000000953674,0.667999982833862,0,0.090600997209549,19.657600402832,0,2,10
InChI%3D1S%2FC5H8%2Fc1-4-5%282%293%2Fh4H%2C1-2H2%2C3H3,4,4,5,0,0,1.8614000082016,1,2.00999999046326,2.34800004959106,0,3.46480989456177,24.5764007568359,4,0,13
InChI%3D1S%2FC6H8N4O3S%2Fc1-2-7-5%2811%299-6-8-3-4%2814-6%2910%2812%2913%2Fh3H%2C2H2%2C1H3%2C%28H2%2C7%2C8%2C9%2C11%29,12,14,6,5,5,0.59799998998642,4,1.24000000953674,1.09899997711182,0,0.357603996992111,31.4605007171631,2,3,22
InChI%3D1S%2FC2Cl6%2Fc3-1%284%2C5%292%286%2C7%298,0,7,8,0,0,3.37639999389648,1,1.01999998092651,3.88199996948242,0,11.4000768661499,41.8779983520508,2,0,8
InChI%3D1S%2FCHBr2Cl%2Fc2-1%283%294%2Fh1H,0,3,4,0,0,2.02480006217957,0,1.24000000953674,2.75,0,4.09981489181519,26.9811992645264,0,0,5
InChI%3D1S%2FC12H14N2O2%2Fc1-2-12%289-6-4-3-5-7-9%2910%2815%2913-8-14-11%2812%2916%2Fh3-7H%2C2%2C8H2%2C1H3%2C%28H%2C13%2C15%29%28H%2C14%2C16%29,6,17,2,6,6,-1.25660002231598,2,2.33999991416931,3.51799988746643,0,1.57904350757599,32.5567016601562,2,2,30
InChI%3D1S%2FC4H3FN2O2%2Fc5-2-1-6-4%289%297-3%282%298%2Fh1H%2C%28H2%2C6%2C7%2C8%2C9%29,8,9,0,6,6,-0.4408999979496,0,1.35000002384186,-0.503000020980835,0,0.194392815232277,6.00169992446899,0,2,12
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%29,7,17,0,6,10,0.139400005340576,0,2.45000004768372,2.93600010871887,0,0.0194323603063822,22.807300567627,0,,27
InChI%3D1S%2FC4H6Cl2%2Fc5-3-1-2-4-6%2Fh1-2H%2C3-4H2,2,5,6,0,0,1.97959995269775,2,1.67999994754791,1.94000005722046,0,3.91881608963013,30.9741992950439,4,0,12
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%29,3,13,5,0,5,-0.520699977874756,3,1.35000002384186,-1.77999997138977,0,0.271128475666046,26.0491008758545,0,3,22
InChI%3D1S%2FC2H6O3S%2Fc1-5-6%282%2C3%294%2Fh1-2H3,4,5,6,0,0,-0.188199996948242,1,1.24000000953674,-0.869000017642975,0,0.0354192405939102,21.3852005004883,0,0,12
InChI%3D1S%2FC17H17ClO3%2Fc1-17%282%2C16%2819%2920-3%2921-15-10-6-13%287-11-15%2912-4-8-14%2818%299-5-12%2Fh4-11H%2C1-3H3,13,22,8,12,12,1.19550001621246,5,2.89000010490417,5.1729998588562,1,1.42922019958496,32.9911003112793,3,0,38
InChI%3D1S%2FC12H13N3O%2Fc13-8-1-3-9%284-2-8%2916-10-5-6-11%2814%2912%2815%297-10%2Fh1-7H%2C13-15H2,16,17,0,12,12,-2.40380001068115,2,2.33999991416931,1.59399998188019,0,5.77825450897217,14.285400390625,0,3,29
InChI%3D1S%2FC8H10N2S%2Fc1-2-7-5-6%288%289%2911%293-4-10-7%2Fh3-5H%2C2H2%2C1H3%2C%28H2%2C9%2C11%29,8,11,2,6,6,0.308999985456467,2,2.00999999046326,2.31500005722046,0,0.0954810008406639,23.7005004882812,2,1,21
InChI%3D1S%2FC20H28O6%2Fc1-9-5-13-18%2824%2C15%289%2922%297-11%288-21%296-12-14-17%283%2C4%2920%2814%2C26%2916%2823%2910%282%2919%2812%2C13%2925%2Fh5-6%2C10%2C12-14%2C16%2C21%2C23-26H%2C7-8H2%2C1-4H3,4,29,2,0,0,-1.10309994220734,1,3,-1.05200004577637,0,1.21682965755463,94.7273025512695,0,5,54
InChI%3D1S%2FC5H4O2%2Fc6-4-5-2-1-3-7-5%2Fh1-4H,7,7,2,5,5,-0.346500009298325,1,1.78999996185303,1.057000041008,0,0.120062246918678,7.91300010681152,0,0,11
InChI%3D1S%2FC12H14N4%2Fc13-9-3-1-7%285-11%289%2915%298-2-4-10%2814%2912%2816%296-8%2Fh1-6H%2C13-16H2,16,17,0,12,12,-2.99959993362427,1,2.33999991416931,0.639999985694885,0,8.99760055541992,16.8883991241455,0,,30
InChI%3D1S%2FC8H11NO%2Fc1-6-3-4-8%2810-2%297%289%295-6%2Fh3-5H%2C9H2%2C1-2H3,8,10,2,6,6,-0.159700006246567,1,2.11999988555908,1.64499998092651,0,0.0255040898919106,17.0400009155273,0,1,21
InChI%3D1S%2FC10H6Cl8%2Fc11-3-1-2-4%285%283%2912%299%2816%297%2814%296%2813%298%282%2C15%2910%289%2C17%2918%2Fh2-5H%2C1H2,2,20,0,0,0,4.24259996414185,0,1.67999994754791,4.35500001907349,0,17.9996547698975,78.1775970458984,0,0,24
InChI%3D1S%2FC8H6N4O4S%2Fc13-4-9-11-8-10-5%283-17-8%296-1-2-7%2816-6%2912%2814%2915%2Fh1-4H%2C%28H%2C9%2C13%29%28H%2C10%2C11%29,17,18,4,10,10,-0.180999994277954,4,1.35000002384186,2.51999998092651,0,0.0327610000967979,25.4272003173828,0,2,23
InChI%3D1S%2FC12H10ClNO%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C14H2,14,16,0,12,12,-0.159700006246567,2,2.45000004768372,3.75,0,0.0255040898919106,11.4568004608154,0,1,25
InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H,10,11,0,10,11,0,0,2.55999994277954,5.93800020217896,1,0,0,0,0,18
InChI%3D1S%2FC6H15NO3%2Fc8-4-1-7%282-5-9%293-6-10%2Fh8-10H%2C1-6H2,0,9,10,0,0,-1.29809999465942,6,1.67999994754791,-2.06399989128113,0,1.68506360054016,38.8650016784668,2,3,25
InChI%3D1S%2FCCl4%2Fc2-1%283%2C4%295,0,4,5,0,0,3.58459997177124,0,1.12999999523163,2.86400008201599,0,12.8493576049805,26.8490009307861,0,0,5
InChI%3D1S%2FC16H11N3O6%2Fc1-18-8-12%2816%2821%2922%2914%2820%2911-6-3-9%2817-15%2811%2918%292-4-10-5-7-13%2825-10%2919%2823%2924%2Fh2-8H%2C1H3%2C%28H%2C21%2C22%29,19,27,3,11,11,-0.254099994897842,4,2.23000001907349,2.17000007629395,0,0.0645668134093285,44.3172988891602,2,,38
InChI%3D1S%2FC4H6%2Fc1-3-4-2%2Fh3-4H%2C1-2H2,4,3,4,0,0,1.41499996185303,1,1.89999997615814,1.9559999704361,0,2.00222492218018,20.2943992614746,4,0,10
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%29,5,20,3,0,0,-2.74819993972778,4,1.78999996185303,-1.40199995040894,0,7.55260324478149,62.8157997131348,3,,35
InChI%3D1S%2FC12H11N7%2Fc13-9-7%286-4-2-1-3-5-6%2916-8-10%2814%2918-12%2815%2919-11%288%2917-9%2Fh1-5H%2C%28H6%2C13%2C14%2C15%2C17%2C18%2C19%29,6,21,0,6,6,-2.05949997901917,1,2.00999999046326,1.93400001525879,1,4.24154043197632,40.4961013793945,0,7,36
InChI%3D1S%2FC6H4Cl3N%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2H%2C10H2,7,10,0,6,6,1.48300004005432,0,1.67999994754791,2.05399990081787,0,2.19928908348083,21.0688991546631,0,1,14
InChI%3D1S%2FC24H12O2%2Fc25-23-17-7-3-1-5-13%2817%2915-9-11-20-22-16%2810-12-19%2823%2921%2815%2922%2914-6-2-4-8-18%2814%2924%2820%2926%2Fh1-12H,26,31,0,22,23,-0.527599990367889,0,3.88000011444092,7.50400018692017,1,0.278361767530441,10.6920003890991,0,0,38
InChI%3D1S%2FC2H3F%2Fc1-2-3%2Fh2H%2C1H2,2,2,3,0,0,0.543099999427795,0,1.57000005245209,1.08800005912781,0,0.294957607984543,10.1890001296997,0,0,6
InChI%3D1S%2FC10H8N4%2Fc11-8-5-4-7-10%2813-8%2914-6-2-1-3-9%2814%2912-7%2Fh1-6H%2C%28H2%2C11%2C13%29,3,16,0,0,5,-1.02540004253387,0,2.11999988555908,1.56900000572205,0,1.05144512653351,34.0446014404297,0,3,28
InChI%3D1S%2FC5H10Br2O2%2Fc6-1-5%282-7%2C3-8%294-9%2Fh8-9H%2C1-4H2,0,8,9,0,0,0.533599972724915,4,1.57000005245209,1.20200002193451,0,0.284728974103928,43.7966995239258,3,2,19
InChI%3D1S%2FC13H13N3O%2Fc1-17-13-9-11%287-8-12%2813%2914%2916-15-10-5-3-2-4-6-10%2Fh2-9H%2C14H2%2C1H3,16,18,2,12,12,-0.801699995994568,3,2.45000004768372,4.41499996185303,0,0.642722904682159,11.5378999710083,0,1,30
InChI%3D1S%2FC12HBr9%2Fc13-2-1-3%2814%296%2815%297%2816%294%282%295-8%2817%2910%2819%2912%2821%2911%2820%299%285%2918%2Fh1H,12,22,0,12,12,7.99919986724854,1,1.78999996185303,8.66600036621094,1,63.9872016906738,77.3918991088867,0,0,22
InChI%3D1S%2FC11H10N4%2Fc1-7-3-2-6-15-10%287%2913-8-4-5-9%2812%2914-11%288%2915%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29,3,17,0,0,5,-0.0604000017046928,0,2.23000001907349,1.86600005626678,0,0.00364816002547741,41.2084999084473,0,3,31
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%29,16,19,0,12,12,-0.36719998717308,1,2.45000004768372,4.9539999961853,0,0.134835839271545,16.8964004516602,0,,29
InChI%3D1S%2FC7H9N%2Fc1-6-2-4-7%288%295-3-6%2Fh2-5H%2C8H2%2C1H3,7,8,0,6,6,-0.107900001108646,0,2.11999988555908,2.29999995231628,0,0.0116424104198813,9.72420024871826,0,1,17
InChI%3D1S%2FC7H8N2O3%2Fc1-12-7-3-2-5%289%2810%2911%294-6%287%298%2Fh2-4H%2C8H2%2C1H3,11,12,2,6,6,-0.848299980163574,2,1.67999994754791,1.20899999141693,0,0.719612896442413,14.4237003326416,0,1,20
InChI%3D1S%2FC7H7NO3%2Fc1-11-7-5-3-2-4-6%287%298%289%2910%2Fh2-5H%2C1H3,10,11,2,6,6,-0.0983999967575073,2,1.78999996185303,2.23900008201599,0,0.00968256033957005,10.2016000747681,0,0,18
InChI%3D1S%2FC15H23ClO4S%2Fc1-12%2820-21%2817%2919-10-9-16%2911-18-14-7-5-13%286-8-14%2915%282%2C3%294%2Fh5-8%2C12H%2C9-11H2%2C1-4H3,7,21,11,6,6,1.7257000207901,9,2.45000004768372,3.91400003433228,0,2.97804045677185,61.6603012084961,3,0,44
InChI%3D1S%2FC12H7Cl2NO3%2Fc13-8-1-6-12%2811%2814%297-8%2918-10-4-2-9%283-5-10%2915%2816%2917%2Fh1-7H,16,19,2,12,12,1.2878999710083,3,2.11999988555908,4.76300001144409,0,1.65868639945984,15.7361001968384,0,0,25
InChI%3D1S%2FC9H7N3O2S%2Fc10-9-11-8%285-15-9%296-1-3-7%284-2-6%2912%2813%2914%2Fh1-5H%2C%28H2%2C10%2C11%29,9,16,2,6,6,0.546999990940094,2,1.78999996185303,2.81800007820129,0,0.299208998680115,27.4890995025635,0,2,24
InChI%3D1S%2FC9H8Cl3NO2S%2Fc10-9%2811%2C12%2916-13-7%2814%295-3-1-2-4-6%285%298%2813%2915%2Fh1-2%2C5-6H%2C3-4H2,5,17,5,0,0,3.23449993133545,2,1.67999994754791,2.26799988746643,0,10.4619903564453,68.1818008422852,0,0,24
InChI%3D1S%2FC12H12N2O%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,15,16,0,12,12,-1.65390002727509,2,2.45000004768372,2.62400007247925,0,2.73538517951965,10.0633001327515,0,2,27
InChI%3D1S%2FC14H9Cl5O%2Fc15-11-5-1-9%282-6-11%2913%2820%2C14%2817%2C18%2919%2910-3-7-12%2816%298-4-10%2Fh1-8%2C20H,6,21,6,12,12,2.43160009384155,3,2.33999991416931,6.1100001335144,1,5.91267871856689,37.0377998352051,2,1,29
InChI%3D1S%2FC4H8N2O%2Fc7-5-6-3-1-2-4-6%2Fh1-4H2,3,7,2,0,0,-0.666599988937378,1,1.57000005245209,0.46000000834465,0,0.444355547428131,23.9046993255615,0,0,15
InChI%3D1S%2FC13H14Cl2O3%2Fc1-12%282%2C11%2816%2917%2918-9-5-3-8%284-6-9%2910-7-13%2810%2C14%2915%2Fh3-6%2C10H%2C7H2%2C1-2H3%2C%28H%2C16%2C17%29,7,19,7,6,6,1.23710000514984,4,2.33999991416931,3.59400010108948,0,1.53041636943817,44.3660011291504,3,1,32
InChI%3D1S%2FC7H5Cl3%2Fc8-7%289%2C10%296-4-2-1-3-5-6%2Fh1-5H,6,10,4,6,6,1.68819999694824,1,1.89999997615814,4.9539999961853,0,2.85001921653748,20.9389991760254,0,0,15
InChI%3D1S%2FC6H4Cl2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H,6,8,0,6,6,1.48860001564026,0,1.89999997615814,2.98799991607666,0,2.21592998504639,11.2312002182007,0,0,12
InChI%3D1S%2FC11H17F3N6O%2Fc12-11%2813%2C14%297-17-10%2816%2918-9-4-6-20%2819-9%295-2-1-3-8%2815%2921%2Fh4%2C6H%2C1-3%2C5%2C7H2%2C%28H2%2C15%2C21%29%28H3%2C16%2C17%2C18%2C19%29,7,21,9,0,0,-0.522899985313416,9,1.57000005245209,1.34500002861023,0,0.273424416780472,64.0654983520508,5,5,40
InChI%3D1S%2FC4H12N2%2Fc1-2-3-4-6-5%2Fh6H%2C2-5H2%2C1H3,2,5,6,0,0,-1.52900004386902,3,1.67999994754791,0.560000002384186,0,2.33784103393555,25.0181999206543,4,,18
InChI%3D1S%2FC12H8Cl6O%2Fc13-8-9%2814%2911%2816%295-3-1-2%286-7%283%2919-6%294%285%2910%288%2C15%2912%2811%2C17%2918%2Fh2-7H%2C1H2,2,23,0,0,0,2.33809995651245,0,2.00999999046326,3.00500011444092,0,5.46671152114868,76.1249008178711,0,0,27
InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H,5,5,0,5,5,-0.154100000858307,0,1.78999996185303,1.01800000667572,0,0.0237468108534813,1.61909997463226,0,0,9
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%2C21-22H2,22,24,0,12,12,-0.806599974632263,2,3.22000002861023,4.1710000038147,0,0.650603532791138,43.4127006530762,0,,39
InChI%3D1S%2FC3H7N3O3%2Fc4-3%288%296%285-9%291-2-7%2Fh7H%2C1-2H2%2C%28H2%2C4%2C8%29,6,8,9,0,0,-0.114100001752377,4,1.12999999523163,-0.857999980449677,0,0.0130188101902604,29.1236000061035,2,3,16
InChI%3D1S%2FC12H10N2O%2Fc15-14-12-8-6-11%287-9-12%2913-10-4-2-1-3-5-10%2Fh1-9%2C13H,15,16,2,12,12,-0.443699985742569,3,2.45000004768372,4.23400020599365,0,0.196869686245918,4.74289989471436,0,1,25
InChI%3D1S%2FC7H9N3O%2Fc8-7%2811%2910-9-6-4-2-1-3-5-6%2Fh1-5%2C9H%2C%28H3%2C8%2C10%2C11%29,11,11,5,6,6,-0.494899988174438,3,1.78999996185303,3.25300002098083,0,0.244926005601883,14.2775001525879,0,4,20
InChI%3D1S%2FC10H12O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh4-6H%2C2-3%2C7H2%2C1H3,8,13,3,6,6,-0.476999998092651,2,2.33999991416931,3.2960000038147,0,0.227529004216194,21.1478004455566,3,0,24
InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2,0,11,12,0,0,-0.241999998688698,5,1.46000003814697,-0.272000014781952,0,0.0585639998316765,50.472599029541,6,4,24
InChI%3D1S%2FC3H5Cl%2Fc1-2-3-4%2Fh2-3H%2C1H3,2,3,4,0,0,1.20179998874664,0,1.67999994754791,1.86199998855591,0,1.44432318210602,20.6812992095947,3,0,9
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%2C1H3,5,27,2,0,0,0.235100001096725,1,2.67000007629395,0.137999996542931,0,0.0552720092236996,88.9273986816406,2,2,48
InChI%3D1S%2FC6H9NO6%2Fc8-4%289%291-7%282-5%2810%2911%293-6%2812%2913%2Fh1-3H2%2C%28H%2C8%2C9%29%28H%2C10%2C11%29%28H%2C12%2C13%29,3,12,13,0,0,-1.31159996986389,6,1.35000002384186,-1.79100000858307,0,1.72029459476471,38.2419013977051,2,3,22
InChI%3D1S%2FC12H12N2O2%2Fc13-9-3-1-7%285-11%289%2915%298-2-4-10%2814%2912%2816%296-8%2Fh1-6%2C15-16H%2C13-14H2,16,17,0,12,12,-2.4203999042511,1,2.33999991416931,1.63199996948242,0,5.85833597183228,13.5733995437622,0,,28
InChI%3D1S%2FC10H10O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh2%2C4-6H%2C1%2C3%2C7H2,8,13,3,6,6,0.726000010967255,2,2.33999991416931,2.9300000667572,0,0.527076005935669,22.3738994598389,3,0,22
InChI%3D1S%2FC8H20N2%2Fc1-3-5-7-10%289%298-6-4-2%2Fh3-9H2%2C1-2H3,2,9,10,0,0,-1.6085000038147,6,2.11999988555908,1.31500005722046,0,2.58727216720581,41.0503005981445,4,1,30
InChI%3D1S%2FC18H12O6%2Fc1-21-11-7-12-13%288-5-6-22-18%288%2924-12%2917-15%2811%2916%2820%2914-9%2819%293-2-4-10%2814%2923-17%2Fh2-8%2C18-19H%2C1H3,18,28,2,12,12,-1.46529996395111,1,2.77999997138977,1.72200000286102,0,2.14710402488708,35.6242980957031,0,1,36
InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3,6,8,2,6,6,0.30689999461174,1,2.33999991416931,4.9539999961853,0,0.0941876098513603,10.3505001068115,2,0,18
InChI%3D1S%2FC8H18O%2Fc1-3-5-6-8%284-2%297-9%2Fh8-9H%2C3-7H2%2C1-2H3,0,8,9,0,0,-1.26059997081757,5,2.23000001907349,2.85500001907349,0,1.58911240100861,35.0635986328125,7,1,27
InChI%3D1S%2FC2HCl3O2%2Fc3-2%284%2C5%291%286%297%2Fh%28H%2C6%2C7%29,3,6,7,0,0,1.44840002059937,1,1.12999999523163,1.02999997138977,0,2.09786248207092,28.1583003997803,2,1,8
InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H,6,6,0,6,6,0,0,1.89999997615814,1.39999997615814,0,0,0,0,0,11
InChI%3D1S%2FC12H10FN%2Fc13-11-5-1-9%282-6-11%2910-3-7-12%2814%298-4-10%2Fh1-8H%2C14H2,13,15,0,12,12,-0.27020001411438,1,2.55999994277954,4.11100006103516,0,0.0730080381035805,5.09460020065308,0,1,24
InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H,0,3,4,0,0,1.82099997997284,0,1.24000000953674,2.41199994087219,0,3.31604099273682,24.172700881958,0,0,5